USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1108 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 89 THR OG1 : rot -63:sc= 0.0458 USER MOD Set 1.2: A 97 CYS SG : rot 126:sc= 0.598 USER MOD Set 2.1: A 79 SER OG : rot -90:sc= -3.71! USER MOD Set 2.2: A 85 HIS : no HD1:sc= -4.25! K(o=-8!,f=-5.8) USER MOD Set 3.1: A 69 SER OG : rot -73:sc= 0.0189 USER MOD Set 3.2: A 120 ASN : amide:sc= 0.318 K(o=0.34,f=-4.2!) USER MOD Set 4.1: A 19 ASN : amide:sc= -6.63! C(o=-20!,f=-20!) USER MOD Set 4.2: A 73 GLN : amide:sc= -13.4! C(o=-20!,f=-23!) USER MOD Set 5.1: A 10 GLN : amide:sc= -2.72 K(o=-7.6,f=-11) USER MOD Set 5.2: A 133 LYS NZ :NH3+ 149:sc= -4.86! (180deg=-6.04!) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.247 (180deg=-1.29!) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0 (180deg=-0.00985) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= -3.98! (180deg=-5.73!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.209 K(o=-0.21,f=-2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.143 USER MOD Single : A 18 THR OG1 : rot -140:sc= -2.21 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.541 K(o=-0.54,f=-4.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 81:sc= -0.46 USER MOD Single : A 28 GLN : amide:sc= -7.72! C(o=-7.7!,f=-9.2!) USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= -7.01! (180deg=-9.72!) USER MOD Single : A 30 CYS SG : rot -22:sc= -10.4! USER MOD Single : A 32 GLN : amide:sc= -0.823 K(o=-0.82,f=-4.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -6:sc= 1.1 USER MOD Single : A 40 HIS : no HD1:sc= -1.99! C(o=-2!,f=-1.8!) USER MOD Single : A 48 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.69) USER MOD Single : A 52 THR OG1 : rot -158:sc= -2.16! USER MOD Single : A 55 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.2) USER MOD Single : A 57 GLN : amide:sc= -3.92! C(o=-3.9!,f=-4.8!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -128:sc= -18.7! (180deg=-24.6!) USER MOD Single : A 61 THR OG1 : rot -109:sc= -1.3! USER MOD Single : A 62 SER OG : rot 180:sc= -0.253 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.82) USER MOD Single : A 71 GLN : amide:sc= -7.72! C(o=-7.7!,f=-5.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0587) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 162:sc= -2.3 USER MOD Single : A 92 MET CE :methyl -146:sc= -19.9! (180deg=-25.7!) USER MOD Single : A 95 GLN : amide:sc= -7.71! C(o=-7.7!,f=-15!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -3.26! C(o=-3.3!,f=-9.8!) USER MOD Single : A 104 ASN : amide:sc= -0.254 K(o=-0.25,f=-3.6!) USER MOD Single : A 106 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0115) USER MOD Single : A 115 ASN : amide:sc= -4.09! C(o=-4.1!,f=-5.5!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0625) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -11.2! C(o=-11!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.145 -14.632 13.217 1.00 0.00 N ATOM 2 CA MET A 1 22.390 -13.426 13.514 1.00 0.00 C ATOM 3 C MET A 1 22.665 -12.337 12.474 1.00 0.00 C ATOM 4 O MET A 1 23.795 -11.870 12.344 1.00 0.00 O ATOM 5 CB MET A 1 22.773 -12.913 14.904 1.00 0.00 C ATOM 6 CG MET A 1 21.996 -13.654 15.994 1.00 0.00 C ATOM 7 SD MET A 1 23.112 -14.646 16.972 1.00 0.00 S ATOM 8 CE MET A 1 22.643 -16.277 16.419 1.00 0.00 C ATOM 0 H1 MET A 1 22.488 -15.417 13.036 1.00 0.00 H new ATOM 0 H2 MET A 1 23.735 -14.474 12.375 1.00 0.00 H new ATOM 0 H3 MET A 1 23.753 -14.869 14.027 1.00 0.00 H new ATOM 0 HA MET A 1 21.328 -13.669 13.487 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.843 -13.044 15.062 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.570 -11.844 14.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.477 -12.939 16.633 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.234 -14.288 15.541 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.649 -16.964 17.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.642 -16.241 15.988 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.350 -16.623 15.665 1.00 0.00 H new ATOM 18 N SER A 2 21.612 -11.966 11.761 1.00 0.00 N ATOM 19 CA SER A 2 21.726 -10.941 10.737 1.00 0.00 C ATOM 20 C SER A 2 20.370 -10.268 10.518 1.00 0.00 C ATOM 21 O SER A 2 19.355 -10.945 10.360 1.00 0.00 O ATOM 22 CB SER A 2 22.245 -11.530 9.424 1.00 0.00 C ATOM 23 OG SER A 2 21.276 -12.362 8.793 1.00 0.00 O ATOM 0 H SER A 2 20.676 -12.356 11.872 1.00 0.00 H new ATOM 0 HA SER A 2 22.444 -10.195 11.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.523 -10.721 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.148 -12.108 9.618 1.00 0.00 H new ATOM 0 HG SER A 2 21.644 -12.717 7.957 1.00 0.00 H new ATOM 29 N PHE A 3 20.396 -8.943 10.515 1.00 0.00 N ATOM 30 CA PHE A 3 19.181 -8.171 10.318 1.00 0.00 C ATOM 31 C PHE A 3 19.506 -6.711 9.996 1.00 0.00 C ATOM 32 O PHE A 3 19.627 -5.884 10.899 1.00 0.00 O ATOM 33 CB PHE A 3 18.396 -8.229 11.630 1.00 0.00 C ATOM 34 CG PHE A 3 19.261 -8.062 12.881 1.00 0.00 C ATOM 35 CD1 PHE A 3 19.905 -9.137 13.410 1.00 0.00 C ATOM 36 CD2 PHE A 3 19.387 -6.840 13.463 1.00 0.00 C ATOM 37 CE1 PHE A 3 20.708 -8.983 14.571 1.00 0.00 C ATOM 38 CE2 PHE A 3 20.190 -6.685 14.624 1.00 0.00 C ATOM 39 CZ PHE A 3 20.834 -7.760 15.153 1.00 0.00 C ATOM 0 H PHE A 3 21.240 -8.385 10.646 1.00 0.00 H new ATOM 0 HA PHE A 3 18.611 -8.581 9.485 1.00 0.00 H new ATOM 0 HB2 PHE A 3 17.635 -7.449 11.621 1.00 0.00 H new ATOM 0 HB3 PHE A 3 17.874 -9.184 11.687 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.806 -10.108 12.947 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.876 -5.987 13.042 1.00 0.00 H new ATOM 0 HE1 PHE A 3 21.219 -9.837 14.992 1.00 0.00 H new ATOM 0 HE2 PHE A 3 20.289 -5.714 15.087 1.00 0.00 H new ATOM 0 HZ PHE A 3 21.446 -7.642 16.035 1.00 0.00 H new ATOM 49 N TRP A 4 19.637 -6.438 8.706 1.00 0.00 N ATOM 50 CA TRP A 4 19.945 -5.092 8.254 1.00 0.00 C ATOM 51 C TRP A 4 18.634 -4.307 8.176 1.00 0.00 C ATOM 52 O TRP A 4 18.591 -3.127 8.521 1.00 0.00 O ATOM 53 CB TRP A 4 20.705 -5.120 6.926 1.00 0.00 C ATOM 54 CG TRP A 4 22.015 -4.330 6.942 1.00 0.00 C ATOM 55 CD1 TRP A 4 22.188 -3.016 6.742 1.00 0.00 C ATOM 56 CD2 TRP A 4 23.336 -4.860 7.178 1.00 0.00 C ATOM 57 NE1 TRP A 4 23.519 -2.662 6.833 1.00 0.00 N ATOM 58 CE2 TRP A 4 24.239 -3.819 7.106 1.00 0.00 C ATOM 59 CE3 TRP A 4 23.754 -6.176 7.444 1.00 0.00 C ATOM 60 CZ2 TRP A 4 25.617 -3.986 7.288 1.00 0.00 C ATOM 61 CZ3 TRP A 4 25.135 -6.326 7.624 1.00 0.00 C ATOM 62 CH2 TRP A 4 26.057 -5.288 7.554 1.00 0.00 C ATOM 0 H TRP A 4 19.535 -7.126 7.960 1.00 0.00 H new ATOM 0 HA TRP A 4 20.609 -4.591 8.959 1.00 0.00 H new ATOM 0 HB2 TRP A 4 20.921 -6.156 6.664 1.00 0.00 H new ATOM 0 HB3 TRP A 4 20.061 -4.721 6.142 1.00 0.00 H new ATOM 0 HD1 TRP A 4 21.387 -2.322 6.536 1.00 0.00 H new ATOM 0 HE1 TRP A 4 23.903 -1.724 6.721 1.00 0.00 H new ATOM 0 HE3 TRP A 4 23.065 -7.005 7.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 26.304 -3.155 7.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 25.510 -7.317 7.832 1.00 0.00 H new ATOM 0 HH2 TRP A 4 27.108 -5.485 7.704 1.00 0.00 H new ATOM 73 N LYS A 5 17.597 -4.994 7.721 1.00 0.00 N ATOM 74 CA LYS A 5 16.288 -4.376 7.593 1.00 0.00 C ATOM 75 C LYS A 5 15.675 -4.198 8.984 1.00 0.00 C ATOM 76 O LYS A 5 14.666 -3.512 9.138 1.00 0.00 O ATOM 77 CB LYS A 5 15.408 -5.179 6.632 1.00 0.00 C ATOM 78 CG LYS A 5 15.931 -5.079 5.198 1.00 0.00 C ATOM 79 CD LYS A 5 15.950 -3.626 4.720 1.00 0.00 C ATOM 80 CE LYS A 5 14.599 -2.951 4.966 1.00 0.00 C ATOM 81 NZ LYS A 5 14.564 -2.337 6.312 1.00 0.00 N ATOM 0 H LYS A 5 17.636 -5.973 7.436 1.00 0.00 H new ATOM 0 HA LYS A 5 16.377 -3.383 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.384 -6.224 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.384 -4.809 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.937 -5.496 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.303 -5.675 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.735 -3.078 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.190 -3.592 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.423 -2.188 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.797 -3.684 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.838 -1.593 6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.337 -3.064 7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.493 -1.922 6.528 1.00 0.00 H new ATOM 95 N THR A 6 16.312 -4.827 9.961 1.00 0.00 N ATOM 96 CA THR A 6 15.842 -4.746 11.334 1.00 0.00 C ATOM 97 C THR A 6 14.323 -4.922 11.389 1.00 0.00 C ATOM 98 O THR A 6 13.576 -3.964 11.198 1.00 0.00 O ATOM 99 CB THR A 6 16.321 -3.417 11.920 1.00 0.00 C ATOM 100 OG1 THR A 6 17.366 -3.788 12.814 1.00 0.00 O ATOM 101 CG2 THR A 6 15.272 -2.763 12.822 1.00 0.00 C ATOM 0 H THR A 6 17.149 -5.395 9.829 1.00 0.00 H new ATOM 0 HA THR A 6 16.253 -5.552 11.941 1.00 0.00 H new ATOM 0 HB THR A 6 16.579 -2.735 11.110 1.00 0.00 H new ATOM 0 HG1 THR A 6 17.735 -2.985 13.237 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.662 -1.823 13.212 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.367 -2.569 12.246 1.00 0.00 H new ATOM 0 HG23 THR A 6 15.038 -3.431 13.651 1.00 0.00 H new ATOM 109 N LEU A 7 13.911 -6.154 11.651 1.00 0.00 N ATOM 110 CA LEU A 7 12.495 -6.468 11.733 1.00 0.00 C ATOM 111 C LEU A 7 12.325 -7.941 12.110 1.00 0.00 C ATOM 112 O LEU A 7 13.088 -8.793 11.658 1.00 0.00 O ATOM 113 CB LEU A 7 11.783 -6.079 10.436 1.00 0.00 C ATOM 114 CG LEU A 7 10.309 -6.477 10.335 1.00 0.00 C ATOM 115 CD1 LEU A 7 9.399 -5.315 10.740 1.00 0.00 C ATOM 116 CD2 LEU A 7 9.979 -7.003 8.937 1.00 0.00 C ATOM 0 H LEU A 7 14.533 -6.946 11.809 1.00 0.00 H new ATOM 0 HA LEU A 7 12.020 -5.880 12.518 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.856 -4.998 10.315 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.319 -6.531 9.601 1.00 0.00 H new ATOM 0 HG LEU A 7 10.125 -7.290 11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.357 -5.624 10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.613 -5.026 11.769 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.578 -4.466 10.080 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.926 -7.279 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.183 -6.227 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.593 -7.878 8.723 1.00 0.00 H new ATOM 128 N GLN A 8 11.319 -8.196 12.935 1.00 0.00 N ATOM 129 CA GLN A 8 11.040 -9.551 13.377 1.00 0.00 C ATOM 130 C GLN A 8 10.618 -10.421 12.191 1.00 0.00 C ATOM 131 O GLN A 8 9.500 -10.299 11.694 1.00 0.00 O ATOM 132 CB GLN A 8 9.970 -9.561 14.471 1.00 0.00 C ATOM 133 CG GLN A 8 9.653 -10.990 14.916 1.00 0.00 C ATOM 134 CD GLN A 8 8.142 -11.224 14.971 1.00 0.00 C ATOM 135 OE1 GLN A 8 7.343 -10.302 14.945 1.00 0.00 O ATOM 136 NE2 GLN A 8 7.796 -12.506 15.050 1.00 0.00 N ATOM 0 H GLN A 8 10.688 -7.487 13.308 1.00 0.00 H new ATOM 0 HA GLN A 8 11.953 -9.968 13.802 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.313 -8.978 15.326 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.063 -9.082 14.102 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.110 -11.699 14.226 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.089 -11.174 15.898 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.516 -13.228 15.068 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.811 -12.767 15.093 1.00 0.00 H new ATOM 145 N ARG A 9 11.537 -11.279 11.772 1.00 0.00 N ATOM 146 CA ARG A 9 11.274 -12.168 10.653 1.00 0.00 C ATOM 147 C ARG A 9 10.849 -11.363 9.423 1.00 0.00 C ATOM 148 O ARG A 9 9.742 -10.829 9.379 1.00 0.00 O ATOM 149 CB ARG A 9 10.178 -13.178 10.998 1.00 0.00 C ATOM 150 CG ARG A 9 10.764 -14.409 11.691 1.00 0.00 C ATOM 151 CD ARG A 9 9.788 -15.586 11.637 1.00 0.00 C ATOM 152 NE ARG A 9 9.467 -16.040 13.009 1.00 0.00 N ATOM 153 CZ ARG A 9 8.582 -17.005 13.293 1.00 0.00 C ATOM 154 NH1 ARG A 9 7.923 -17.623 12.303 1.00 0.00 N ATOM 155 NH2 ARG A 9 8.355 -17.352 14.568 1.00 0.00 N ATOM 0 H ARG A 9 12.464 -11.377 12.187 1.00 0.00 H new ATOM 0 HA ARG A 9 12.195 -12.709 10.436 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.438 -12.709 11.647 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.659 -13.481 10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.702 -14.688 11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.995 -14.171 12.729 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.875 -15.289 11.120 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.225 -16.406 11.067 1.00 0.00 H new ATOM 0 HE ARG A 9 9.950 -15.590 13.787 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.095 -17.359 11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.249 -18.358 12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.856 -16.881 15.322 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.681 -18.087 14.784 1.00 0.00 H new ATOM 169 N GLN A 10 11.751 -11.302 8.455 1.00 0.00 N ATOM 170 CA GLN A 10 11.483 -10.572 7.228 1.00 0.00 C ATOM 171 C GLN A 10 10.404 -11.285 6.410 1.00 0.00 C ATOM 172 O GLN A 10 10.389 -12.512 6.332 1.00 0.00 O ATOM 173 CB GLN A 10 12.761 -10.390 6.407 1.00 0.00 C ATOM 174 CG GLN A 10 13.213 -11.717 5.795 1.00 0.00 C ATOM 175 CD GLN A 10 12.581 -11.930 4.418 1.00 0.00 C ATOM 176 OE1 GLN A 10 12.665 -11.096 3.532 1.00 0.00 O ATOM 177 NE2 GLN A 10 11.943 -13.090 4.289 1.00 0.00 N ATOM 0 H GLN A 10 12.668 -11.746 8.495 1.00 0.00 H new ATOM 0 HA GLN A 10 11.116 -9.580 7.492 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.588 -9.661 5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.552 -9.990 7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.299 -11.729 5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.938 -12.539 6.456 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.911 -13.744 5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.486 -13.326 3.408 1.00 0.00 H new ATOM 186 N PRO A 11 9.503 -10.463 5.807 1.00 0.00 N ATOM 187 CA PRO A 11 8.423 -11.002 4.999 1.00 0.00 C ATOM 188 C PRO A 11 8.941 -11.487 3.643 1.00 0.00 C ATOM 189 O PRO A 11 10.044 -11.128 3.232 1.00 0.00 O ATOM 190 CB PRO A 11 7.417 -9.869 4.879 1.00 0.00 C ATOM 191 CG PRO A 11 8.177 -8.599 5.228 1.00 0.00 C ATOM 192 CD PRO A 11 9.489 -9.005 5.878 1.00 0.00 C ATOM 0 HA PRO A 11 7.961 -11.881 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.008 -9.815 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.576 -10.020 5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.362 -8.007 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.591 -7.978 5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.341 -8.575 5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.543 -8.658 6.910 1.00 0.00 H new ATOM 200 N ARG A 12 8.121 -12.294 2.986 1.00 0.00 N ATOM 201 CA ARG A 12 8.484 -12.831 1.685 1.00 0.00 C ATOM 202 C ARG A 12 7.610 -12.210 0.593 1.00 0.00 C ATOM 203 O ARG A 12 8.124 -11.629 -0.362 1.00 0.00 O ATOM 204 CB ARG A 12 8.324 -14.352 1.653 1.00 0.00 C ATOM 205 CG ARG A 12 9.542 -15.018 1.012 1.00 0.00 C ATOM 206 CD ARG A 12 9.537 -16.528 1.263 1.00 0.00 C ATOM 207 NE ARG A 12 9.844 -17.250 0.008 1.00 0.00 N ATOM 208 CZ ARG A 12 10.000 -18.578 -0.075 1.00 0.00 C ATOM 209 NH1 ARG A 12 9.880 -19.337 1.022 1.00 0.00 N ATOM 210 NH2 ARG A 12 10.277 -19.148 -1.257 1.00 0.00 N ATOM 0 H ARG A 12 7.207 -12.589 3.330 1.00 0.00 H new ATOM 0 HA ARG A 12 9.530 -12.583 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.191 -14.729 2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.425 -14.615 1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.545 -14.824 -0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.455 -14.581 1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.272 -16.781 2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.564 -16.839 1.642 1.00 0.00 H new ATOM 0 HE ARG A 12 9.943 -16.702 -0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.670 -18.904 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.999 -20.348 0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.369 -18.570 -2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.396 -20.159 -1.320 1.00 0.00 H new ATOM 224 N THR A 13 6.305 -12.355 0.770 1.00 0.00 N ATOM 225 CA THR A 13 5.356 -11.815 -0.189 1.00 0.00 C ATOM 226 C THR A 13 4.945 -10.396 0.208 1.00 0.00 C ATOM 227 O THR A 13 4.283 -10.199 1.226 1.00 0.00 O ATOM 228 CB THR A 13 4.176 -12.786 -0.283 1.00 0.00 C ATOM 229 OG1 THR A 13 4.735 -13.955 -0.875 1.00 0.00 O ATOM 230 CG2 THR A 13 3.120 -12.327 -1.290 1.00 0.00 C ATOM 0 H THR A 13 5.883 -12.838 1.563 1.00 0.00 H new ATOM 0 HA THR A 13 5.802 -11.725 -1.179 1.00 0.00 H new ATOM 0 HB THR A 13 3.717 -12.896 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.039 -14.638 -0.971 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.305 -13.051 -1.318 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.731 -11.354 -0.991 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.570 -12.249 -2.280 1.00 0.00 H new ATOM 238 N ILE A 14 5.354 -9.444 -0.617 1.00 0.00 N ATOM 239 CA ILE A 14 5.037 -8.048 -0.365 1.00 0.00 C ATOM 240 C ILE A 14 3.859 -7.630 -1.246 1.00 0.00 C ATOM 241 O ILE A 14 3.986 -7.564 -2.468 1.00 0.00 O ATOM 242 CB ILE A 14 6.280 -7.175 -0.545 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.532 -7.891 -0.035 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.092 -5.809 0.117 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.390 -8.258 1.443 1.00 0.00 C ATOM 0 H ILE A 14 5.902 -9.611 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 14 4.726 -7.909 0.670 1.00 0.00 H new ATOM 0 HB ILE A 14 6.421 -6.999 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.704 -8.793 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.403 -7.250 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.990 -5.209 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.240 -5.300 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.911 -5.943 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.294 -8.766 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.242 -7.352 2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.533 -8.918 1.573 1.00 0.00 H new ATOM 257 N SER A 15 2.739 -7.359 -0.593 1.00 0.00 N ATOM 258 CA SER A 15 1.538 -6.950 -1.302 1.00 0.00 C ATOM 259 C SER A 15 1.394 -5.427 -1.251 1.00 0.00 C ATOM 260 O SER A 15 1.022 -4.869 -0.220 1.00 0.00 O ATOM 261 CB SER A 15 0.295 -7.620 -0.714 1.00 0.00 C ATOM 262 OG SER A 15 -0.908 -7.018 -1.182 1.00 0.00 O ATOM 0 H SER A 15 2.637 -7.415 0.420 1.00 0.00 H new ATOM 0 HA SER A 15 1.630 -7.266 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.296 -8.678 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.331 -7.560 0.374 1.00 0.00 H new ATOM 0 HG SER A 15 -1.679 -7.475 -0.785 1.00 0.00 H new ATOM 268 N LEU A 16 1.697 -4.798 -2.377 1.00 0.00 N ATOM 269 CA LEU A 16 1.606 -3.351 -2.474 1.00 0.00 C ATOM 270 C LEU A 16 0.459 -2.978 -3.415 1.00 0.00 C ATOM 271 O LEU A 16 0.156 -3.715 -4.352 1.00 0.00 O ATOM 272 CB LEU A 16 2.955 -2.756 -2.883 1.00 0.00 C ATOM 273 CG LEU A 16 4.019 -2.691 -1.786 1.00 0.00 C ATOM 274 CD1 LEU A 16 5.303 -3.398 -2.225 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.279 -1.244 -1.359 1.00 0.00 C ATOM 0 H LEU A 16 2.006 -5.264 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 16 1.374 -2.918 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.352 -3.342 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.786 -1.747 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 16 3.641 -3.222 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.043 -3.337 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.087 -4.444 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.695 -2.917 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.039 -1.226 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.626 -0.668 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.357 -0.806 -0.977 1.00 0.00 H new ATOM 287 N PHE A 17 -0.149 -1.835 -3.132 1.00 0.00 N ATOM 288 CA PHE A 17 -1.256 -1.356 -3.941 1.00 0.00 C ATOM 289 C PHE A 17 -0.904 -0.033 -4.624 1.00 0.00 C ATOM 290 O PHE A 17 0.003 0.674 -4.186 1.00 0.00 O ATOM 291 CB PHE A 17 -2.437 -1.130 -2.995 1.00 0.00 C ATOM 292 CG PHE A 17 -3.528 -2.198 -3.094 1.00 0.00 C ATOM 293 CD1 PHE A 17 -3.841 -2.740 -4.301 1.00 0.00 C ATOM 294 CD2 PHE A 17 -4.184 -2.605 -1.975 1.00 0.00 C ATOM 295 CE1 PHE A 17 -4.853 -3.731 -4.394 1.00 0.00 C ATOM 296 CE2 PHE A 17 -5.197 -3.597 -2.067 1.00 0.00 C ATOM 297 CZ PHE A 17 -5.510 -4.138 -3.274 1.00 0.00 C ATOM 0 H PHE A 17 0.105 -1.227 -2.353 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.491 -2.084 -4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.067 -1.097 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.877 -0.155 -3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.319 -2.416 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.935 -2.174 -1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.101 -4.162 -5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.718 -3.921 -1.178 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.281 -4.891 -3.344 1.00 0.00 H new ATOM 307 N THR A 18 -1.640 0.263 -5.685 1.00 0.00 N ATOM 308 CA THR A 18 -1.417 1.489 -6.432 1.00 0.00 C ATOM 309 C THR A 18 -2.473 2.534 -6.070 1.00 0.00 C ATOM 310 O THR A 18 -3.632 2.195 -5.836 1.00 0.00 O ATOM 311 CB THR A 18 -1.395 1.138 -7.921 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.704 -0.108 -7.974 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.512 2.088 -8.734 1.00 0.00 C ATOM 0 H THR A 18 -2.391 -0.325 -6.045 1.00 0.00 H new ATOM 0 HA THR A 18 -0.458 1.939 -6.175 1.00 0.00 H new ATOM 0 HB THR A 18 -2.411 1.161 -8.314 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.107 -0.118 -8.751 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.532 1.794 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.886 3.107 -8.635 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.512 2.040 -8.363 1.00 0.00 H new ATOM 321 N ASN A 19 -2.035 3.785 -6.035 1.00 0.00 N ATOM 322 CA ASN A 19 -2.929 4.882 -5.705 1.00 0.00 C ATOM 323 C ASN A 19 -2.378 6.179 -6.300 1.00 0.00 C ATOM 324 O ASN A 19 -2.057 7.114 -5.569 1.00 0.00 O ATOM 325 CB ASN A 19 -3.040 5.066 -4.191 1.00 0.00 C ATOM 326 CG ASN A 19 -4.224 4.277 -3.627 1.00 0.00 C ATOM 327 OD1 ASN A 19 -4.268 3.058 -3.670 1.00 0.00 O ATOM 328 ND2 ASN A 19 -5.178 5.037 -3.098 1.00 0.00 N ATOM 0 H ASN A 19 -1.073 4.063 -6.230 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.913 4.650 -6.113 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.118 4.736 -3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.159 6.124 -3.958 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.010 4.605 -2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.078 6.052 -3.095 1.00 0.00 H new ATOM 335 N ASP A 20 -2.286 6.194 -7.622 1.00 0.00 N ATOM 336 CA ASP A 20 -1.779 7.361 -8.323 1.00 0.00 C ATOM 337 C ASP A 20 -0.387 7.707 -7.791 1.00 0.00 C ATOM 338 O ASP A 20 -0.015 7.286 -6.697 1.00 0.00 O ATOM 339 CB ASP A 20 -2.685 8.574 -8.101 1.00 0.00 C ATOM 340 CG ASP A 20 -2.589 9.659 -9.175 1.00 0.00 C ATOM 341 OD1 ASP A 20 -1.706 10.530 -9.024 1.00 0.00 O ATOM 342 OD2 ASP A 20 -3.402 9.592 -10.123 1.00 0.00 O ATOM 0 H ASP A 20 -2.554 5.417 -8.226 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.745 7.126 -9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.718 8.231 -8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.443 9.018 -7.135 1.00 0.00 H new ATOM 347 N ILE A 21 0.344 8.471 -8.589 1.00 0.00 N ATOM 348 CA ILE A 21 1.687 8.878 -8.212 1.00 0.00 C ATOM 349 C ILE A 21 2.236 9.845 -9.262 1.00 0.00 C ATOM 350 O ILE A 21 2.079 11.059 -9.135 1.00 0.00 O ATOM 351 CB ILE A 21 2.573 7.652 -7.981 1.00 0.00 C ATOM 352 CG1 ILE A 21 1.839 6.365 -8.363 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.091 7.612 -6.542 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.813 5.320 -8.911 1.00 0.00 C ATOM 0 H ILE A 21 0.032 8.819 -9.495 1.00 0.00 H new ATOM 0 HA ILE A 21 1.671 9.414 -7.263 1.00 0.00 H new ATOM 0 HB ILE A 21 3.443 7.732 -8.633 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.323 5.964 -7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.077 6.585 -9.111 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.718 6.731 -6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.677 8.509 -6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.248 7.568 -5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.265 4.415 -9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.310 5.715 -9.797 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.559 5.084 -8.152 1.00 0.00 H new ATOM 366 N ALA A 22 2.869 9.272 -10.275 1.00 0.00 N ATOM 367 CA ALA A 22 3.442 10.069 -11.346 1.00 0.00 C ATOM 368 C ALA A 22 3.177 9.380 -12.686 1.00 0.00 C ATOM 369 O ALA A 22 2.055 8.959 -12.960 1.00 0.00 O ATOM 370 CB ALA A 22 4.935 10.279 -11.084 1.00 0.00 C ATOM 0 H ALA A 22 2.998 8.265 -10.377 1.00 0.00 H new ATOM 0 HA ALA A 22 2.976 11.054 -11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.365 10.877 -11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.068 10.798 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.437 9.312 -11.043 1.00 0.00 H new ATOM 376 N SER A 23 4.230 9.286 -13.485 1.00 0.00 N ATOM 377 CA SER A 23 4.125 8.655 -14.790 1.00 0.00 C ATOM 378 C SER A 23 3.294 7.375 -14.687 1.00 0.00 C ATOM 379 O SER A 23 2.082 7.399 -14.895 1.00 0.00 O ATOM 380 CB SER A 23 5.509 8.345 -15.365 1.00 0.00 C ATOM 381 OG SER A 23 5.928 9.328 -16.307 1.00 0.00 O ATOM 0 H SER A 23 5.160 9.636 -13.254 1.00 0.00 H new ATOM 0 HA SER A 23 3.628 9.350 -15.467 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.234 8.288 -14.553 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.491 7.367 -15.846 1.00 0.00 H new ATOM 0 HG SER A 23 6.816 9.095 -16.650 1.00 0.00 H new ATOM 387 N ASN A 24 3.979 6.287 -14.366 1.00 0.00 N ATOM 388 CA ASN A 24 3.319 4.999 -14.233 1.00 0.00 C ATOM 389 C ASN A 24 2.758 4.863 -12.816 1.00 0.00 C ATOM 390 O ASN A 24 3.494 4.551 -11.881 1.00 0.00 O ATOM 391 CB ASN A 24 4.301 3.850 -14.466 1.00 0.00 C ATOM 392 CG ASN A 24 4.932 3.941 -15.857 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.452 4.966 -16.265 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.857 2.814 -16.559 1.00 0.00 N ATOM 0 H ASN A 24 4.984 6.271 -14.194 1.00 0.00 H new ATOM 0 HA ASN A 24 2.524 4.949 -14.977 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.082 3.875 -13.706 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.783 2.897 -14.359 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.249 2.772 -17.500 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.407 1.992 -16.157 1.00 0.00 H new ATOM 401 N ILE A 25 1.460 5.102 -12.701 1.00 0.00 N ATOM 402 CA ILE A 25 0.793 5.010 -11.414 1.00 0.00 C ATOM 403 C ILE A 25 1.141 3.672 -10.759 1.00 0.00 C ATOM 404 O ILE A 25 1.263 3.587 -9.538 1.00 0.00 O ATOM 405 CB ILE A 25 -0.711 5.245 -11.572 1.00 0.00 C ATOM 406 CG1 ILE A 25 -0.999 6.687 -11.995 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.463 4.860 -10.296 1.00 0.00 C ATOM 408 CD1 ILE A 25 0.219 7.582 -11.757 1.00 0.00 C ATOM 0 H ILE A 25 0.852 5.359 -13.479 1.00 0.00 H new ATOM 0 HA ILE A 25 1.146 5.794 -10.745 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.077 4.597 -12.369 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.273 6.713 -13.050 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.852 7.071 -11.435 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.530 5.037 -10.435 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.295 3.805 -10.079 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.101 5.464 -9.464 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.013 8.601 -12.066 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.475 7.573 -10.698 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.063 7.210 -12.338 1.00 0.00 H new ATOM 420 N LYS A 26 1.291 2.659 -11.600 1.00 0.00 N ATOM 421 CA LYS A 26 1.622 1.329 -11.118 1.00 0.00 C ATOM 422 C LYS A 26 3.127 1.248 -10.852 1.00 0.00 C ATOM 423 O LYS A 26 3.548 0.908 -9.747 1.00 0.00 O ATOM 424 CB LYS A 26 1.112 0.264 -12.091 1.00 0.00 C ATOM 425 CG LYS A 26 1.245 0.736 -13.540 1.00 0.00 C ATOM 426 CD LYS A 26 -0.050 1.390 -14.025 1.00 0.00 C ATOM 427 CE LYS A 26 0.240 2.699 -14.762 1.00 0.00 C ATOM 428 NZ LYS A 26 -0.397 2.694 -16.098 1.00 0.00 N ATOM 0 H LYS A 26 1.189 2.733 -12.612 1.00 0.00 H new ATOM 0 HA LYS A 26 1.119 1.131 -10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.675 -0.659 -11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.068 0.037 -11.873 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.068 1.446 -13.621 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.491 -0.111 -14.181 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.582 0.706 -14.687 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.704 1.584 -13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.131 3.542 -14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.317 2.834 -14.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.190 3.590 -16.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.023 1.901 -16.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.426 2.587 -15.992 1.00 0.00 H new ATOM 442 N SER A 27 3.896 1.565 -11.883 1.00 0.00 N ATOM 443 CA SER A 27 5.344 1.533 -11.774 1.00 0.00 C ATOM 444 C SER A 27 5.810 2.511 -10.694 1.00 0.00 C ATOM 445 O SER A 27 6.340 2.098 -9.664 1.00 0.00 O ATOM 446 CB SER A 27 6.005 1.866 -13.113 1.00 0.00 C ATOM 447 OG SER A 27 7.050 0.952 -13.435 1.00 0.00 O ATOM 0 H SER A 27 3.543 1.845 -12.798 1.00 0.00 H new ATOM 0 HA SER A 27 5.643 0.523 -11.493 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.253 1.850 -13.902 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.407 2.878 -13.077 1.00 0.00 H new ATOM 0 HG SER A 27 6.664 0.135 -13.814 1.00 0.00 H new ATOM 453 N GLN A 28 5.596 3.790 -10.968 1.00 0.00 N ATOM 454 CA GLN A 28 5.988 4.831 -10.032 1.00 0.00 C ATOM 455 C GLN A 28 5.634 4.419 -8.602 1.00 0.00 C ATOM 456 O GLN A 28 6.345 4.764 -7.659 1.00 0.00 O ATOM 457 CB GLN A 28 5.337 6.167 -10.395 1.00 0.00 C ATOM 458 CG GLN A 28 5.576 7.209 -9.300 1.00 0.00 C ATOM 459 CD GLN A 28 7.072 7.475 -9.114 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.680 7.088 -8.130 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.628 8.156 -10.112 1.00 0.00 N ATOM 0 H GLN A 28 5.157 4.129 -11.824 1.00 0.00 H new ATOM 0 HA GLN A 28 7.068 4.962 -10.095 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.742 6.528 -11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.266 6.026 -10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.067 8.137 -9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.145 6.861 -8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.061 8.450 -10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.622 8.384 -10.082 1.00 0.00 H new ATOM 470 N LYS A 29 4.536 3.687 -8.485 1.00 0.00 N ATOM 471 CA LYS A 29 4.079 3.225 -7.185 1.00 0.00 C ATOM 472 C LYS A 29 5.256 2.612 -6.424 1.00 0.00 C ATOM 473 O LYS A 29 5.913 3.291 -5.637 1.00 0.00 O ATOM 474 CB LYS A 29 2.887 2.278 -7.341 1.00 0.00 C ATOM 475 CG LYS A 29 2.601 1.537 -6.034 1.00 0.00 C ATOM 476 CD LYS A 29 2.385 2.520 -4.882 1.00 0.00 C ATOM 477 CE LYS A 29 1.199 3.444 -5.165 1.00 0.00 C ATOM 478 NZ LYS A 29 0.076 3.143 -4.249 1.00 0.00 N ATOM 0 H LYS A 29 3.949 3.402 -9.269 1.00 0.00 H new ATOM 0 HA LYS A 29 3.715 4.062 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.006 2.844 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.091 1.559 -8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.717 0.911 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.433 0.873 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.209 1.970 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.286 3.115 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.504 4.484 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.875 3.323 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.826 3.328 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.118 2.143 -3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.146 3.746 -3.405 1.00 0.00 H new ATOM 492 N CYS A 30 5.487 1.333 -6.686 1.00 0.00 N ATOM 493 CA CYS A 30 6.574 0.621 -6.036 1.00 0.00 C ATOM 494 C CYS A 30 7.781 0.624 -6.976 1.00 0.00 C ATOM 495 O CYS A 30 8.890 0.963 -6.567 1.00 0.00 O ATOM 496 CB CYS A 30 6.162 -0.799 -5.640 1.00 0.00 C ATOM 497 SG CYS A 30 4.825 -0.738 -4.393 1.00 0.00 S ATOM 0 H CYS A 30 4.940 0.772 -7.339 1.00 0.00 H new ATOM 0 HA CYS A 30 6.838 1.125 -5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.825 -1.347 -6.520 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.021 -1.337 -5.238 1.00 0.00 H new ATOM 0 HG CYS A 30 4.846 0.414 -3.791 1.00 0.00 H new ATOM 503 N LEU A 31 7.524 0.242 -8.219 1.00 0.00 N ATOM 504 CA LEU A 31 8.575 0.196 -9.220 1.00 0.00 C ATOM 505 C LEU A 31 9.568 1.332 -8.963 1.00 0.00 C ATOM 506 O LEU A 31 10.780 1.124 -9.008 1.00 0.00 O ATOM 507 CB LEU A 31 7.976 0.211 -10.628 1.00 0.00 C ATOM 508 CG LEU A 31 7.677 -1.157 -11.244 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.803 -2.149 -10.949 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.315 -1.681 -10.781 1.00 0.00 C ATOM 0 H LEU A 31 6.603 -0.038 -8.555 1.00 0.00 H new ATOM 0 HA LEU A 31 9.131 -0.738 -9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.050 0.786 -10.601 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.662 0.742 -11.288 1.00 0.00 H new ATOM 0 HG LEU A 31 7.626 -1.040 -12.327 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.565 -3.113 -11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.737 -1.774 -11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.910 -2.267 -9.871 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.127 -2.655 -11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.313 -1.779 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.534 -0.983 -11.084 1.00 0.00 H new ATOM 522 N GLN A 32 9.018 2.508 -8.699 1.00 0.00 N ATOM 523 CA GLN A 32 9.840 3.676 -8.434 1.00 0.00 C ATOM 524 C GLN A 32 10.337 3.659 -6.987 1.00 0.00 C ATOM 525 O GLN A 32 11.508 3.933 -6.726 1.00 0.00 O ATOM 526 CB GLN A 32 9.074 4.966 -8.735 1.00 0.00 C ATOM 527 CG GLN A 32 9.197 5.345 -10.212 1.00 0.00 C ATOM 528 CD GLN A 32 10.638 5.722 -10.562 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.439 6.076 -9.713 1.00 0.00 O ATOM 530 NE2 GLN A 32 10.923 5.625 -11.858 1.00 0.00 N ATOM 0 H GLN A 32 8.013 2.677 -8.663 1.00 0.00 H new ATOM 0 HA GLN A 32 10.706 3.643 -9.095 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.023 4.838 -8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.460 5.775 -8.115 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.874 4.510 -10.834 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.534 6.182 -10.433 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.206 5.322 -12.517 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.859 5.854 -12.193 1.00 0.00 H new ATOM 539 N LEU A 33 9.423 3.333 -6.085 1.00 0.00 N ATOM 540 CA LEU A 33 9.754 3.276 -4.671 1.00 0.00 C ATOM 541 C LEU A 33 10.985 2.389 -4.475 1.00 0.00 C ATOM 542 O LEU A 33 11.887 2.733 -3.713 1.00 0.00 O ATOM 543 CB LEU A 33 8.539 2.832 -3.854 1.00 0.00 C ATOM 544 CG LEU A 33 8.557 3.205 -2.370 1.00 0.00 C ATOM 545 CD1 LEU A 33 7.879 2.123 -1.526 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.982 3.495 -1.894 1.00 0.00 C ATOM 0 H LEU A 33 8.453 3.106 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 33 10.013 4.268 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.645 3.262 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.447 1.749 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 33 7.983 4.122 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.905 2.412 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.843 2.008 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.405 1.177 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.966 3.757 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.601 2.610 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.395 4.325 -2.467 1.00 0.00 H new ATOM 558 N LEU A 34 10.982 1.265 -5.176 1.00 0.00 N ATOM 559 CA LEU A 34 12.088 0.326 -5.089 1.00 0.00 C ATOM 560 C LEU A 34 13.215 0.783 -6.017 1.00 0.00 C ATOM 561 O LEU A 34 14.358 0.353 -5.870 1.00 0.00 O ATOM 562 CB LEU A 34 11.603 -1.099 -5.366 1.00 0.00 C ATOM 563 CG LEU A 34 10.093 -1.324 -5.271 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.489 -1.587 -6.652 1.00 0.00 C ATOM 565 CD2 LEU A 34 9.767 -2.444 -4.281 1.00 0.00 C ATOM 0 H LEU A 34 10.232 0.983 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 34 12.495 0.310 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.931 -1.385 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.095 -1.772 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 34 9.636 -0.412 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.415 -1.744 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.674 -0.730 -7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.947 -2.475 -7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.687 -2.584 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.238 -3.370 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.143 -2.178 -3.293 1.00 0.00 H new ATOM 577 N LYS A 35 12.853 1.649 -6.952 1.00 0.00 N ATOM 578 CA LYS A 35 13.819 2.170 -7.904 1.00 0.00 C ATOM 579 C LYS A 35 14.945 2.877 -7.147 1.00 0.00 C ATOM 580 O LYS A 35 15.937 3.290 -7.745 1.00 0.00 O ATOM 581 CB LYS A 35 13.126 3.055 -8.942 1.00 0.00 C ATOM 582 CG LYS A 35 14.097 3.460 -10.053 1.00 0.00 C ATOM 583 CD LYS A 35 14.251 4.981 -10.119 1.00 0.00 C ATOM 584 CE LYS A 35 15.604 5.370 -10.716 1.00 0.00 C ATOM 585 NZ LYS A 35 15.431 5.908 -12.084 1.00 0.00 N ATOM 0 H LYS A 35 11.904 2.003 -7.071 1.00 0.00 H new ATOM 0 HA LYS A 35 14.275 1.356 -8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.278 2.522 -9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.729 3.947 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.069 3.000 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.736 3.086 -11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.448 5.405 -10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.156 5.403 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.086 6.116 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.261 4.500 -10.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.359 6.167 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.990 5.185 -12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.822 6.750 -12.051 1.00 0.00 H new ATOM 599 N GLY A 36 14.753 2.995 -5.841 1.00 0.00 N ATOM 600 CA GLY A 36 15.740 3.645 -4.995 1.00 0.00 C ATOM 601 C GLY A 36 17.035 2.833 -4.939 1.00 0.00 C ATOM 602 O GLY A 36 18.112 3.355 -5.222 1.00 0.00 O ATOM 0 H GLY A 36 13.929 2.652 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.950 4.644 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.339 3.766 -3.989 1.00 0.00 H new ATOM 606 N ASP A 37 16.887 1.568 -4.573 1.00 0.00 N ATOM 607 CA ASP A 37 18.031 0.678 -4.476 1.00 0.00 C ATOM 608 C ASP A 37 17.540 -0.760 -4.297 1.00 0.00 C ATOM 609 O ASP A 37 17.284 -1.197 -3.176 1.00 0.00 O ATOM 610 CB ASP A 37 18.904 1.033 -3.271 1.00 0.00 C ATOM 611 CG ASP A 37 19.579 2.404 -3.343 1.00 0.00 C ATOM 612 OD1 ASP A 37 20.509 2.536 -4.167 1.00 0.00 O ATOM 613 OD2 ASP A 37 19.150 3.289 -2.572 1.00 0.00 O ATOM 0 H ASP A 37 15.992 1.138 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 37 18.617 0.782 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.289 0.994 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.675 0.270 -3.163 1.00 0.00 H new ATOM 618 N VAL A 38 17.422 -1.455 -5.419 1.00 0.00 N ATOM 619 CA VAL A 38 16.966 -2.835 -5.399 1.00 0.00 C ATOM 620 C VAL A 38 18.149 -3.754 -5.087 1.00 0.00 C ATOM 621 O VAL A 38 19.256 -3.283 -4.834 1.00 0.00 O ATOM 622 CB VAL A 38 16.276 -3.176 -6.722 1.00 0.00 C ATOM 623 CG1 VAL A 38 17.301 -3.560 -7.792 1.00 0.00 C ATOM 624 CG2 VAL A 38 15.242 -4.287 -6.530 1.00 0.00 C ATOM 0 H VAL A 38 17.634 -1.089 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 38 16.225 -2.982 -4.613 1.00 0.00 H new ATOM 0 HB VAL A 38 15.751 -2.285 -7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.785 -3.798 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.983 -2.726 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.866 -4.430 -7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.766 -4.510 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.736 -5.182 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 38 14.486 -3.961 -5.816 1.00 0.00 H new ATOM 634 N SER A 39 17.873 -5.050 -5.115 1.00 0.00 N ATOM 635 CA SER A 39 18.900 -6.040 -4.839 1.00 0.00 C ATOM 636 C SER A 39 18.396 -7.435 -5.209 1.00 0.00 C ATOM 637 O SER A 39 18.425 -7.820 -6.377 1.00 0.00 O ATOM 638 CB SER A 39 19.321 -6.001 -3.368 1.00 0.00 C ATOM 639 OG SER A 39 20.012 -4.798 -3.042 1.00 0.00 O ATOM 0 H SER A 39 16.953 -5.437 -5.325 1.00 0.00 H new ATOM 0 HA SER A 39 19.774 -5.804 -5.446 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.438 -6.095 -2.736 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.961 -6.857 -3.151 1.00 0.00 H new ATOM 0 HG SER A 39 20.168 -4.279 -3.858 1.00 0.00 H new ATOM 645 N HIS A 40 17.944 -8.156 -4.193 1.00 0.00 N ATOM 646 CA HIS A 40 17.434 -9.501 -4.398 1.00 0.00 C ATOM 647 C HIS A 40 17.405 -10.248 -3.063 1.00 0.00 C ATOM 648 O HIS A 40 18.201 -11.158 -2.840 1.00 0.00 O ATOM 649 CB HIS A 40 18.245 -10.233 -5.469 1.00 0.00 C ATOM 650 CG HIS A 40 17.570 -10.288 -6.819 1.00 0.00 C ATOM 651 ND1 HIS A 40 18.271 -10.442 -8.002 1.00 0.00 N ATOM 652 CD2 HIS A 40 16.251 -10.211 -7.160 1.00 0.00 C ATOM 653 CE1 HIS A 40 17.404 -10.453 -9.004 1.00 0.00 C ATOM 654 NE2 HIS A 40 16.153 -10.310 -8.480 1.00 0.00 N ATOM 0 H HIS A 40 17.920 -7.834 -3.225 1.00 0.00 H new ATOM 0 HA HIS A 40 16.411 -9.452 -4.770 1.00 0.00 H new ATOM 0 HB2 HIS A 40 19.212 -9.742 -5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 40 18.441 -11.250 -5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.427 -10.090 -6.473 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.646 -10.557 -10.051 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.285 -10.283 -9.015 1.00 0.00 H new ATOM 662 N ARG A 41 16.479 -9.834 -2.210 1.00 0.00 N ATOM 663 CA ARG A 41 16.337 -10.452 -0.903 1.00 0.00 C ATOM 664 C ARG A 41 14.880 -10.855 -0.662 1.00 0.00 C ATOM 665 O ARG A 41 14.593 -11.660 0.223 1.00 0.00 O ATOM 666 CB ARG A 41 16.786 -9.502 0.209 1.00 0.00 C ATOM 667 CG ARG A 41 17.266 -8.169 -0.371 1.00 0.00 C ATOM 668 CD ARG A 41 18.728 -8.259 -0.813 1.00 0.00 C ATOM 669 NE ARG A 41 19.597 -8.508 0.358 1.00 0.00 N ATOM 670 CZ ARG A 41 19.981 -9.726 0.764 1.00 0.00 C ATOM 671 NH1 ARG A 41 19.575 -10.814 0.096 1.00 0.00 N ATOM 672 NH2 ARG A 41 20.771 -9.855 1.839 1.00 0.00 N ATOM 0 H ARG A 41 15.820 -9.079 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 41 16.971 -11.338 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.960 -9.327 0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.589 -9.963 0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.642 -7.892 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.156 -7.383 0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.847 -9.061 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 41 19.025 -7.333 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 41 19.925 -7.702 0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.973 -10.715 -0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.867 -11.741 0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 41 21.080 -9.026 2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.064 -10.782 2.149 1.00 0.00 H new ATOM 686 N PHE A 42 13.999 -10.277 -1.466 1.00 0.00 N ATOM 687 CA PHE A 42 12.580 -10.565 -1.351 1.00 0.00 C ATOM 688 C PHE A 42 11.853 -10.271 -2.665 1.00 0.00 C ATOM 689 O PHE A 42 12.416 -9.648 -3.564 1.00 0.00 O ATOM 690 CB PHE A 42 12.024 -9.649 -0.259 1.00 0.00 C ATOM 691 CG PHE A 42 11.679 -8.240 -0.744 1.00 0.00 C ATOM 692 CD1 PHE A 42 12.344 -7.704 -1.803 1.00 0.00 C ATOM 693 CD2 PHE A 42 10.708 -7.523 -0.118 1.00 0.00 C ATOM 694 CE1 PHE A 42 12.024 -6.396 -2.253 1.00 0.00 C ATOM 695 CE2 PHE A 42 10.388 -6.215 -0.568 1.00 0.00 C ATOM 696 CZ PHE A 42 11.053 -5.679 -1.627 1.00 0.00 C ATOM 0 H PHE A 42 14.241 -9.611 -2.199 1.00 0.00 H new ATOM 0 HA PHE A 42 12.433 -11.618 -1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 42 11.129 -10.106 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.755 -9.576 0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 42 13.115 -8.273 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.180 -7.949 0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.552 -5.970 -3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.617 -5.646 -0.070 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.810 -4.684 -1.970 1.00 0.00 H new ATOM 706 N ASP A 43 10.614 -10.734 -2.735 1.00 0.00 N ATOM 707 CA ASP A 43 9.804 -10.529 -3.924 1.00 0.00 C ATOM 708 C ASP A 43 8.820 -9.384 -3.674 1.00 0.00 C ATOM 709 O ASP A 43 8.072 -9.406 -2.699 1.00 0.00 O ATOM 710 CB ASP A 43 8.995 -11.783 -4.262 1.00 0.00 C ATOM 711 CG ASP A 43 9.588 -12.656 -5.369 1.00 0.00 C ATOM 712 OD1 ASP A 43 10.816 -12.549 -5.580 1.00 0.00 O ATOM 713 OD2 ASP A 43 8.801 -13.413 -5.978 1.00 0.00 O ATOM 0 H ASP A 43 10.151 -11.251 -1.987 1.00 0.00 H new ATOM 0 HA ASP A 43 10.473 -10.298 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.894 -12.386 -3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.990 -11.480 -4.558 1.00 0.00 H new ATOM 718 N VAL A 44 8.854 -8.411 -4.573 1.00 0.00 N ATOM 719 CA VAL A 44 7.974 -7.260 -4.463 1.00 0.00 C ATOM 720 C VAL A 44 6.753 -7.468 -5.360 1.00 0.00 C ATOM 721 O VAL A 44 6.876 -7.977 -6.474 1.00 0.00 O ATOM 722 CB VAL A 44 8.745 -5.979 -4.790 1.00 0.00 C ATOM 723 CG1 VAL A 44 8.039 -4.751 -4.212 1.00 0.00 C ATOM 724 CG2 VAL A 44 10.189 -6.066 -4.292 1.00 0.00 C ATOM 0 H VAL A 44 9.477 -8.396 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 44 7.611 -7.154 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 44 8.770 -5.871 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.608 -3.855 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.038 -4.674 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.968 -4.849 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.715 -5.143 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.193 -6.210 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.689 -6.907 -4.772 1.00 0.00 H new ATOM 734 N GLU A 45 5.602 -7.066 -4.842 1.00 0.00 N ATOM 735 CA GLU A 45 4.359 -7.202 -5.583 1.00 0.00 C ATOM 736 C GLU A 45 3.707 -5.832 -5.782 1.00 0.00 C ATOM 737 O GLU A 45 3.324 -5.177 -4.815 1.00 0.00 O ATOM 738 CB GLU A 45 3.404 -8.167 -4.878 1.00 0.00 C ATOM 739 CG GLU A 45 2.917 -9.255 -5.837 1.00 0.00 C ATOM 740 CD GLU A 45 2.889 -10.621 -5.148 1.00 0.00 C ATOM 741 OE1 GLU A 45 1.920 -10.857 -4.395 1.00 0.00 O ATOM 742 OE2 GLU A 45 3.838 -11.398 -5.391 1.00 0.00 O ATOM 0 H GLU A 45 5.504 -6.646 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 45 4.587 -7.620 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.908 -8.626 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.550 -7.616 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.920 -9.006 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.571 -9.296 -6.708 1.00 0.00 H new ATOM 749 N ILE A 46 3.601 -5.441 -7.044 1.00 0.00 N ATOM 750 CA ILE A 46 3.002 -4.161 -7.382 1.00 0.00 C ATOM 751 C ILE A 46 1.646 -4.398 -8.050 1.00 0.00 C ATOM 752 O ILE A 46 1.579 -4.946 -9.149 1.00 0.00 O ATOM 753 CB ILE A 46 3.966 -3.325 -8.227 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.400 -3.453 -7.710 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.509 -1.866 -8.297 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.971 -4.839 -8.015 1.00 0.00 C ATOM 0 H ILE A 46 3.920 -5.988 -7.844 1.00 0.00 H new ATOM 0 HA ILE A 46 2.816 -3.577 -6.480 1.00 0.00 H new ATOM 0 HB ILE A 46 3.955 -3.715 -9.245 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.026 -2.689 -8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.420 -3.276 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.211 -1.293 -8.903 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.517 -1.817 -8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.473 -1.447 -7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.991 -4.903 -7.637 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.357 -5.600 -7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.972 -5.003 -9.093 1.00 0.00 H new ATOM 768 N ALA A 47 0.599 -3.974 -7.358 1.00 0.00 N ATOM 769 CA ALA A 47 -0.751 -4.134 -7.870 1.00 0.00 C ATOM 770 C ALA A 47 -1.538 -2.843 -7.633 1.00 0.00 C ATOM 771 O ALA A 47 -1.360 -2.182 -6.611 1.00 0.00 O ATOM 772 CB ALA A 47 -1.408 -5.347 -7.208 1.00 0.00 C ATOM 0 H ALA A 47 0.658 -3.520 -6.447 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.735 -4.318 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.421 -5.467 -7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.827 -6.242 -7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.445 -5.197 -6.129 1.00 0.00 H new ATOM 778 N ASN A 48 -2.391 -2.522 -8.595 1.00 0.00 N ATOM 779 CA ASN A 48 -3.205 -1.323 -8.503 1.00 0.00 C ATOM 780 C ASN A 48 -4.672 -1.719 -8.325 1.00 0.00 C ATOM 781 O ASN A 48 -5.270 -2.317 -9.218 1.00 0.00 O ATOM 782 CB ASN A 48 -3.094 -0.483 -9.778 1.00 0.00 C ATOM 783 CG ASN A 48 -3.272 -1.353 -11.024 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.338 -1.429 -11.613 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.171 -2.002 -11.392 1.00 0.00 N ATOM 0 H ASN A 48 -2.536 -3.072 -9.442 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.850 -0.739 -7.654 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.850 0.302 -9.767 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.122 0.010 -9.810 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.186 -2.608 -12.212 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.311 -1.894 -10.854 1.00 0.00 H new ATOM 792 N ARG A 49 -5.209 -1.371 -7.165 1.00 0.00 N ATOM 793 CA ARG A 49 -6.595 -1.683 -6.858 1.00 0.00 C ATOM 794 C ARG A 49 -7.019 -0.993 -5.560 1.00 0.00 C ATOM 795 O ARG A 49 -6.174 -0.553 -4.782 1.00 0.00 O ATOM 796 CB ARG A 49 -6.801 -3.192 -6.717 1.00 0.00 C ATOM 797 CG ARG A 49 -8.052 -3.648 -7.470 1.00 0.00 C ATOM 798 CD ARG A 49 -7.681 -4.332 -8.787 1.00 0.00 C ATOM 799 NE ARG A 49 -8.898 -4.563 -9.598 1.00 0.00 N ATOM 800 CZ ARG A 49 -8.966 -5.425 -10.621 1.00 0.00 C ATOM 801 NH1 ARG A 49 -7.888 -6.142 -10.966 1.00 0.00 N ATOM 802 NH2 ARG A 49 -10.112 -5.569 -11.301 1.00 0.00 N ATOM 0 H ARG A 49 -4.710 -0.876 -6.426 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.208 -1.320 -7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.928 -3.719 -7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.892 -3.453 -5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.625 -4.336 -6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.693 -2.790 -7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.976 -3.713 -9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.183 -5.280 -8.586 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.737 -4.033 -9.363 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.015 -6.031 -10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.940 -6.798 -11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.932 -5.022 -11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.164 -6.225 -12.080 1.00 0.00 H new ATOM 816 N PHE A 50 -8.328 -0.921 -5.366 1.00 0.00 N ATOM 817 CA PHE A 50 -8.875 -0.293 -4.176 1.00 0.00 C ATOM 818 C PHE A 50 -8.559 -1.117 -2.926 1.00 0.00 C ATOM 819 O PHE A 50 -9.002 -2.258 -2.803 1.00 0.00 O ATOM 820 CB PHE A 50 -10.392 -0.229 -4.360 1.00 0.00 C ATOM 821 CG PHE A 50 -11.103 -1.565 -4.136 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.517 -2.724 -4.541 1.00 0.00 C ATOM 823 CD2 PHE A 50 -12.321 -1.595 -3.531 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.176 -3.964 -4.333 1.00 0.00 C ATOM 825 CE2 PHE A 50 -12.980 -2.835 -3.323 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.394 -3.993 -3.729 1.00 0.00 C ATOM 0 H PHE A 50 -9.026 -1.288 -6.014 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.439 0.697 -4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.801 0.509 -3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.611 0.123 -5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.550 -2.701 -5.021 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.787 -0.675 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.710 -4.884 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.947 -2.859 -2.842 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.896 -4.936 -3.572 1.00 0.00 H new ATOM 836 N PRO A 51 -7.776 -0.491 -2.007 1.00 0.00 N ATOM 837 CA PRO A 51 -7.396 -1.155 -0.772 1.00 0.00 C ATOM 838 C PRO A 51 -8.569 -1.201 0.209 1.00 0.00 C ATOM 839 O PRO A 51 -8.485 -0.657 1.309 1.00 0.00 O ATOM 840 CB PRO A 51 -6.213 -0.358 -0.246 1.00 0.00 C ATOM 841 CG PRO A 51 -6.267 0.986 -0.953 1.00 0.00 C ATOM 842 CD PRO A 51 -7.233 0.859 -2.120 1.00 0.00 C ATOM 0 HA PRO A 51 -7.121 -2.199 -0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.276 -0.233 0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.274 -0.871 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.598 1.766 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.276 1.272 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.022 1.609 -2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.724 1.002 -3.073 1.00 0.00 H new ATOM 850 N THR A 52 -9.636 -1.855 -0.225 1.00 0.00 N ATOM 851 CA THR A 52 -10.825 -1.980 0.601 1.00 0.00 C ATOM 852 C THR A 52 -10.584 -2.978 1.735 1.00 0.00 C ATOM 853 O THR A 52 -9.905 -3.986 1.546 1.00 0.00 O ATOM 854 CB THR A 52 -11.994 -2.364 -0.308 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.370 -2.930 -1.456 1.00 0.00 O ATOM 856 CG2 THR A 52 -12.738 -1.142 -0.853 1.00 0.00 C ATOM 0 H THR A 52 -9.702 -2.304 -1.138 1.00 0.00 H new ATOM 0 HA THR A 52 -11.069 -1.036 1.088 1.00 0.00 H new ATOM 0 HB THR A 52 -12.689 -2.997 0.243 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.984 -2.883 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.558 -1.470 -1.492 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.136 -0.558 -0.023 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.050 -0.526 -1.433 1.00 0.00 H new ATOM 864 N TRP A 53 -11.153 -2.662 2.889 1.00 0.00 N ATOM 865 CA TRP A 53 -11.009 -3.519 4.054 1.00 0.00 C ATOM 866 C TRP A 53 -11.386 -4.943 3.643 1.00 0.00 C ATOM 867 O TRP A 53 -10.995 -5.907 4.300 1.00 0.00 O ATOM 868 CB TRP A 53 -11.841 -2.995 5.226 1.00 0.00 C ATOM 869 CG TRP A 53 -13.134 -2.291 4.807 1.00 0.00 C ATOM 870 CD1 TRP A 53 -14.377 -2.790 4.791 1.00 0.00 C ATOM 871 CD2 TRP A 53 -13.260 -0.931 4.340 1.00 0.00 C ATOM 872 NE1 TRP A 53 -15.292 -1.855 4.350 1.00 0.00 N ATOM 873 CE2 TRP A 53 -14.590 -0.689 4.068 1.00 0.00 C ATOM 874 CE3 TRP A 53 -12.281 0.062 4.155 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -15.064 0.540 3.594 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -12.771 1.284 3.681 1.00 0.00 C ATOM 877 CH2 TRP A 53 -14.108 1.544 3.402 1.00 0.00 C ATOM 0 H TRP A 53 -11.715 -1.824 3.042 1.00 0.00 H new ATOM 0 HA TRP A 53 -9.978 -3.520 4.407 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -12.090 -3.829 5.883 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -11.234 -2.301 5.808 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -14.631 -3.797 5.086 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -16.297 -1.994 4.250 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -11.234 -0.105 4.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -16.111 0.705 3.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -12.061 2.081 3.521 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -14.407 2.516 3.039 1.00 0.00 H new ATOM 888 N ASP A 54 -12.142 -5.032 2.558 1.00 0.00 N ATOM 889 CA ASP A 54 -12.576 -6.323 2.052 1.00 0.00 C ATOM 890 C ASP A 54 -11.408 -7.309 2.115 1.00 0.00 C ATOM 891 O ASP A 54 -11.529 -8.382 2.705 1.00 0.00 O ATOM 892 CB ASP A 54 -13.028 -6.219 0.594 1.00 0.00 C ATOM 893 CG ASP A 54 -13.894 -7.379 0.101 1.00 0.00 C ATOM 894 OD1 ASP A 54 -14.167 -8.276 0.929 1.00 0.00 O ATOM 895 OD2 ASP A 54 -14.265 -7.344 -1.092 1.00 0.00 O ATOM 0 H ASP A 54 -12.465 -4.231 2.015 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.411 -6.663 2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.585 -5.290 0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.144 -6.150 -0.040 1.00 0.00 H new ATOM 900 N GLN A 55 -10.305 -6.911 1.500 1.00 0.00 N ATOM 901 CA GLN A 55 -9.116 -7.747 1.479 1.00 0.00 C ATOM 902 C GLN A 55 -8.284 -7.519 2.743 1.00 0.00 C ATOM 903 O GLN A 55 -8.042 -8.450 3.508 1.00 0.00 O ATOM 904 CB GLN A 55 -8.285 -7.488 0.221 1.00 0.00 C ATOM 905 CG GLN A 55 -8.894 -8.193 -0.993 1.00 0.00 C ATOM 906 CD GLN A 55 -7.841 -9.024 -1.730 1.00 0.00 C ATOM 907 OE1 GLN A 55 -6.693 -8.636 -1.869 1.00 0.00 O ATOM 908 NE2 GLN A 55 -8.295 -10.185 -2.192 1.00 0.00 N ATOM 0 H GLN A 55 -10.209 -6.020 1.012 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.430 -8.791 1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.228 -6.416 0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.265 -7.839 0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.712 -8.838 -0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.319 -7.454 -1.672 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.269 -10.449 -2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.670 -10.812 -2.698 1.00 0.00 H new ATOM 917 N LEU A 56 -7.870 -6.273 2.922 1.00 0.00 N ATOM 918 CA LEU A 56 -7.070 -5.910 4.079 1.00 0.00 C ATOM 919 C LEU A 56 -7.779 -6.379 5.351 1.00 0.00 C ATOM 920 O LEU A 56 -7.150 -6.527 6.398 1.00 0.00 O ATOM 921 CB LEU A 56 -6.757 -4.412 4.066 1.00 0.00 C ATOM 922 CG LEU A 56 -7.731 -3.531 3.281 1.00 0.00 C ATOM 923 CD1 LEU A 56 -8.123 -2.292 4.090 1.00 0.00 C ATOM 924 CD2 LEU A 56 -7.156 -3.163 1.912 1.00 0.00 C ATOM 0 H LEU A 56 -8.074 -5.503 2.285 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.104 -6.414 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.727 -4.058 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.758 -4.273 3.652 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.642 -4.102 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.816 -1.683 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.602 -2.601 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.231 -1.709 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.868 -2.537 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.221 -2.618 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.968 -4.072 1.340 1.00 0.00 H new ATOM 936 N GLN A 57 -9.079 -6.599 5.219 1.00 0.00 N ATOM 937 CA GLN A 57 -9.880 -7.048 6.345 1.00 0.00 C ATOM 938 C GLN A 57 -9.071 -8.003 7.225 1.00 0.00 C ATOM 939 O GLN A 57 -9.279 -8.064 8.435 1.00 0.00 O ATOM 940 CB GLN A 57 -11.176 -7.707 5.867 1.00 0.00 C ATOM 941 CG GLN A 57 -11.541 -8.902 6.751 1.00 0.00 C ATOM 942 CD GLN A 57 -10.691 -10.124 6.400 1.00 0.00 C ATOM 943 OE1 GLN A 57 -10.075 -10.203 5.349 1.00 0.00 O ATOM 944 NE2 GLN A 57 -10.691 -11.070 7.335 1.00 0.00 N ATOM 0 H GLN A 57 -9.597 -6.475 4.349 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.152 -6.178 6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.986 -6.978 5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.062 -8.035 4.834 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.394 -8.642 7.799 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.597 -9.141 6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.229 -10.940 8.192 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.153 -11.925 7.195 1.00 0.00 H new ATOM 953 N TYR A 58 -8.165 -8.726 6.582 1.00 0.00 N ATOM 954 CA TYR A 58 -7.324 -9.675 7.291 1.00 0.00 C ATOM 955 C TYR A 58 -6.359 -8.954 8.234 1.00 0.00 C ATOM 956 O TYR A 58 -6.338 -9.227 9.434 1.00 0.00 O ATOM 957 CB TYR A 58 -6.517 -10.407 6.217 1.00 0.00 C ATOM 958 CG TYR A 58 -7.160 -11.709 5.735 1.00 0.00 C ATOM 959 CD1 TYR A 58 -7.246 -12.792 6.587 1.00 0.00 C ATOM 960 CD2 TYR A 58 -7.653 -11.801 4.450 1.00 0.00 C ATOM 961 CE1 TYR A 58 -7.851 -14.018 6.133 1.00 0.00 C ATOM 962 CE2 TYR A 58 -8.257 -13.027 3.996 1.00 0.00 C ATOM 963 CZ TYR A 58 -8.326 -14.075 4.860 1.00 0.00 C ATOM 964 OH TYR A 58 -8.898 -15.232 4.432 1.00 0.00 O ATOM 0 H TYR A 58 -7.995 -8.673 5.578 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.931 -10.352 7.892 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.381 -9.743 5.363 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.525 -10.628 6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.860 -12.720 7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.586 -10.953 3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.926 -14.873 6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.646 -13.112 2.992 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.193 -15.127 3.503 1.00 0.00 H new ATOM 974 N MET A 59 -5.584 -8.048 7.657 1.00 0.00 N ATOM 975 CA MET A 59 -4.619 -7.286 8.432 1.00 0.00 C ATOM 976 C MET A 59 -5.309 -6.177 9.229 1.00 0.00 C ATOM 977 O MET A 59 -4.911 -5.876 10.353 1.00 0.00 O ATOM 978 CB MET A 59 -3.582 -6.669 7.492 1.00 0.00 C ATOM 979 CG MET A 59 -2.771 -7.755 6.781 1.00 0.00 C ATOM 980 SD MET A 59 -2.771 -7.463 5.020 1.00 0.00 S ATOM 981 CE MET A 59 -1.021 -7.579 4.688 1.00 0.00 C ATOM 0 H MET A 59 -5.604 -7.824 6.662 1.00 0.00 H new ATOM 0 HA MET A 59 -4.130 -7.962 9.134 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.082 -6.042 6.754 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.912 -6.022 8.058 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.748 -7.761 7.157 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.195 -8.736 6.995 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.695 -6.695 4.139 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.476 -7.643 5.630 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.822 -8.470 4.092 1.00 0.00 H new ATOM 991 N ARG A 60 -6.332 -5.600 8.616 1.00 0.00 N ATOM 992 CA ARG A 60 -7.081 -4.531 9.254 1.00 0.00 C ATOM 993 C ARG A 60 -7.572 -4.977 10.633 1.00 0.00 C ATOM 994 O ARG A 60 -7.815 -4.147 11.508 1.00 0.00 O ATOM 995 CB ARG A 60 -8.283 -4.116 8.403 1.00 0.00 C ATOM 996 CG ARG A 60 -9.588 -4.644 9.001 1.00 0.00 C ATOM 997 CD ARG A 60 -10.070 -3.748 10.144 1.00 0.00 C ATOM 998 NE ARG A 60 -10.354 -4.566 11.344 1.00 0.00 N ATOM 999 CZ ARG A 60 -10.583 -4.058 12.562 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -10.561 -2.732 12.750 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -10.832 -4.877 13.593 1.00 0.00 N ATOM 0 H ARG A 60 -6.660 -5.853 7.684 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.413 -3.676 9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.325 -3.029 8.332 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.164 -4.497 7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.353 -4.694 8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.439 -5.659 9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.312 -3.000 10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.967 -3.209 9.841 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.377 -5.580 11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.370 -2.109 11.965 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.735 -2.345 13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.847 -5.887 13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.006 -4.491 14.521 1.00 0.00 H new ATOM 1015 N THR A 61 -7.704 -6.287 10.784 1.00 0.00 N ATOM 1016 CA THR A 61 -8.161 -6.853 12.042 1.00 0.00 C ATOM 1017 C THR A 61 -6.991 -7.004 13.016 1.00 0.00 C ATOM 1018 O THR A 61 -7.113 -6.674 14.194 1.00 0.00 O ATOM 1019 CB THR A 61 -8.871 -8.174 11.735 1.00 0.00 C ATOM 1020 OG1 THR A 61 -8.297 -8.598 10.502 1.00 0.00 O ATOM 1021 CG2 THR A 61 -10.353 -7.980 11.410 1.00 0.00 C ATOM 0 H THR A 61 -7.502 -6.972 10.056 1.00 0.00 H new ATOM 0 HA THR A 61 -8.872 -6.192 12.538 1.00 0.00 H new ATOM 0 HB THR A 61 -8.772 -8.846 12.587 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.960 -8.510 9.785 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.809 -8.947 11.200 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.855 -7.519 12.261 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.453 -7.335 10.537 1.00 0.00 H new ATOM 1029 N SER A 62 -5.883 -7.503 12.487 1.00 0.00 N ATOM 1030 CA SER A 62 -4.692 -7.702 13.295 1.00 0.00 C ATOM 1031 C SER A 62 -3.924 -6.385 13.428 1.00 0.00 C ATOM 1032 O SER A 62 -2.816 -6.360 13.961 1.00 0.00 O ATOM 1033 CB SER A 62 -3.792 -8.782 12.693 1.00 0.00 C ATOM 1034 OG SER A 62 -3.387 -8.461 11.365 1.00 0.00 O ATOM 0 H SER A 62 -5.785 -7.775 11.509 1.00 0.00 H new ATOM 0 HA SER A 62 -5.002 -8.036 14.285 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.910 -8.909 13.320 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.321 -9.735 12.690 1.00 0.00 H new ATOM 0 HG SER A 62 -2.813 -9.175 11.017 1.00 0.00 H new ATOM 1040 N CYS A 63 -4.545 -5.323 12.935 1.00 0.00 N ATOM 1041 CA CYS A 63 -3.934 -4.006 12.993 1.00 0.00 C ATOM 1042 C CYS A 63 -5.037 -2.975 13.237 1.00 0.00 C ATOM 1043 O CYS A 63 -6.114 -3.061 12.649 1.00 0.00 O ATOM 1044 CB CYS A 63 -3.135 -3.697 11.725 1.00 0.00 C ATOM 1045 SG CYS A 63 -1.347 -3.925 12.040 1.00 0.00 S ATOM 0 H CYS A 63 -5.464 -5.348 12.494 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.217 -3.971 13.813 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.456 -4.351 10.915 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.328 -2.673 11.404 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.679 -3.662 10.956 1.00 0.00 H new ATOM 1051 N PRO A 64 -4.723 -1.998 14.130 1.00 0.00 N ATOM 1052 CA PRO A 64 -5.676 -0.951 14.459 1.00 0.00 C ATOM 1053 C PRO A 64 -5.782 0.071 13.326 1.00 0.00 C ATOM 1054 O PRO A 64 -6.853 0.624 13.081 1.00 0.00 O ATOM 1055 CB PRO A 64 -5.163 -0.347 15.757 1.00 0.00 C ATOM 1056 CG PRO A 64 -3.704 -0.759 15.860 1.00 0.00 C ATOM 1057 CD PRO A 64 -3.458 -1.864 14.846 1.00 0.00 C ATOM 0 HA PRO A 64 -6.690 -1.330 14.584 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.263 0.738 15.749 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.733 -0.713 16.611 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.052 0.092 15.662 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.476 -1.108 16.867 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.645 -1.605 14.168 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.180 -2.797 15.336 1.00 0.00 H new ATOM 1065 N GLN A 65 -4.655 0.291 12.663 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.608 1.237 11.561 1.00 0.00 C ATOM 1067 C GLN A 65 -5.053 0.561 10.262 1.00 0.00 C ATOM 1068 O GLN A 65 -4.835 1.093 9.175 1.00 0.00 O ATOM 1069 CB GLN A 65 -3.209 1.839 11.414 1.00 0.00 C ATOM 1070 CG GLN A 65 -3.129 3.211 12.087 1.00 0.00 C ATOM 1071 CD GLN A 65 -1.976 3.263 13.091 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -0.960 2.605 12.943 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -2.190 4.080 14.118 1.00 0.00 N ATOM 0 H GLN A 65 -3.768 -0.170 12.868 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.298 2.053 11.778 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.472 1.169 11.857 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.959 1.933 10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.992 3.984 11.330 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.069 3.426 12.596 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.064 4.602 14.181 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.480 4.185 14.843 1.00 0.00 H new ATOM 1082 N GLY A 66 -5.668 -0.602 10.418 1.00 0.00 N ATOM 1083 CA GLY A 66 -6.145 -1.356 9.272 1.00 0.00 C ATOM 1084 C GLY A 66 -6.511 -0.423 8.116 1.00 0.00 C ATOM 1085 O GLY A 66 -5.673 -0.121 7.268 1.00 0.00 O ATOM 0 H GLY A 66 -5.847 -1.041 11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.376 -2.058 8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.016 -1.946 9.557 1.00 0.00 H new ATOM 1089 N PRO A 67 -7.797 0.019 8.119 1.00 0.00 N ATOM 1090 CA PRO A 67 -8.284 0.912 7.081 1.00 0.00 C ATOM 1091 C PRO A 67 -7.759 2.333 7.289 1.00 0.00 C ATOM 1092 O PRO A 67 -7.543 3.066 6.326 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.800 0.821 7.164 1.00 0.00 C ATOM 1094 CG PRO A 67 -10.109 0.247 8.537 1.00 0.00 C ATOM 1095 CD PRO A 67 -8.818 -0.318 9.108 1.00 0.00 C ATOM 0 HA PRO A 67 -7.934 0.632 6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.257 1.802 7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.197 0.182 6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.510 1.020 9.192 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.867 -0.533 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.589 0.121 10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.888 -1.396 9.254 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.567 2.680 8.554 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.071 4.001 8.901 1.00 0.00 C ATOM 1105 C VAL A 68 -5.838 4.317 8.052 1.00 0.00 C ATOM 1106 O VAL A 68 -5.589 5.474 7.719 1.00 0.00 O ATOM 1107 CB VAL A 68 -6.797 4.079 10.404 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -5.691 5.091 10.708 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -8.075 4.413 11.177 1.00 0.00 C ATOM 0 H VAL A 68 -7.746 2.069 9.351 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.821 4.760 8.681 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.453 3.099 10.734 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.516 5.127 11.783 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.774 4.791 10.201 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.994 6.077 10.357 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.853 4.463 12.243 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.462 5.375 10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.822 3.639 10.997 1.00 0.00 H new ATOM 1119 N SER A 69 -5.099 3.266 7.725 1.00 0.00 N ATOM 1120 CA SER A 69 -3.898 3.417 6.921 1.00 0.00 C ATOM 1121 C SER A 69 -4.272 3.583 5.447 1.00 0.00 C ATOM 1122 O SER A 69 -3.652 4.367 4.730 1.00 0.00 O ATOM 1123 CB SER A 69 -2.962 2.220 7.100 1.00 0.00 C ATOM 1124 OG SER A 69 -1.941 2.479 8.059 1.00 0.00 O ATOM 0 H SER A 69 -5.309 2.307 8.002 1.00 0.00 H new ATOM 0 HA SER A 69 -3.371 4.310 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.541 1.351 7.413 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.505 1.971 6.142 1.00 0.00 H new ATOM 0 HG SER A 69 -1.285 3.100 7.679 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.285 2.833 5.039 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.750 2.887 3.663 1.00 0.00 C ATOM 1132 C LEU A 70 -6.501 4.201 3.434 1.00 0.00 C ATOM 1133 O LEU A 70 -6.134 4.985 2.561 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.572 1.642 3.326 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.800 0.322 3.274 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -4.531 0.462 2.431 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -5.499 -0.192 4.683 1.00 0.00 C ATOM 0 H LEU A 70 -5.797 2.184 5.637 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.905 2.878 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.368 1.546 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.051 1.798 2.359 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.429 -0.423 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.001 -0.490 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.799 0.750 1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.887 1.226 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.950 -1.131 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.898 0.543 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.434 -0.355 5.218 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.538 4.399 4.235 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.343 5.604 4.130 1.00 0.00 C ATOM 1151 C GLN A 71 -7.450 6.846 4.175 1.00 0.00 C ATOM 1152 O GLN A 71 -7.624 7.768 3.380 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.404 5.652 5.232 1.00 0.00 C ATOM 1154 CG GLN A 71 -8.759 5.852 6.605 1.00 0.00 C ATOM 1155 CD GLN A 71 -9.800 5.741 7.721 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -10.870 5.181 7.554 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -9.427 6.305 8.867 1.00 0.00 N ATOM 0 H GLN A 71 -7.839 3.746 4.959 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.861 5.588 3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.104 6.464 5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.980 4.727 5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.978 5.107 6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.279 6.830 6.646 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.516 6.758 8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.052 6.284 9.673 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.514 6.828 5.112 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.593 7.941 5.270 1.00 0.00 C ATOM 1168 C ARG A 72 -4.619 7.996 4.092 1.00 0.00 C ATOM 1169 O ARG A 72 -4.026 9.039 3.820 1.00 0.00 O ATOM 1170 CB ARG A 72 -4.800 7.818 6.573 1.00 0.00 C ATOM 1171 CG ARG A 72 -5.711 8.000 7.789 1.00 0.00 C ATOM 1172 CD ARG A 72 -6.041 9.477 8.011 1.00 0.00 C ATOM 1173 NE ARG A 72 -5.605 9.896 9.361 1.00 0.00 N ATOM 1174 CZ ARG A 72 -6.271 9.609 10.488 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -7.407 8.900 10.433 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -5.801 10.030 11.670 1.00 0.00 N ATOM 0 H ARG A 72 -6.373 6.061 5.769 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.182 8.857 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.318 6.842 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.008 8.566 6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.632 7.436 7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.224 7.595 8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.546 10.086 7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.113 9.639 7.900 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.744 10.437 9.439 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.765 8.579 9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.914 8.682 11.291 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.936 10.569 11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.308 9.811 12.528 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.485 6.860 3.423 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.593 6.766 2.279 1.00 0.00 C ATOM 1192 C GLN A 73 -4.143 7.584 1.109 1.00 0.00 C ATOM 1193 O GLN A 73 -3.383 8.221 0.381 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.374 5.308 1.873 1.00 0.00 C ATOM 1195 CG GLN A 73 -4.113 4.983 0.574 1.00 0.00 C ATOM 1196 CD GLN A 73 -3.412 5.616 -0.629 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -3.991 6.372 -1.392 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -2.135 5.266 -0.757 1.00 0.00 N ATOM 0 H GLN A 73 -4.979 5.997 3.651 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.625 7.179 2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.308 5.118 1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.723 4.649 2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.165 3.902 0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.139 5.347 0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.711 4.629 -0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.580 5.635 -1.529 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.459 7.541 0.964 1.00 0.00 N ATOM 1208 CA ILE A 74 -6.119 8.270 -0.105 1.00 0.00 C ATOM 1209 C ILE A 74 -6.366 9.712 0.343 1.00 0.00 C ATOM 1210 O ILE A 74 -6.280 10.020 1.531 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.388 7.538 -0.549 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.344 7.225 -2.046 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.640 8.329 -0.165 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.739 7.322 -2.667 1.00 0.00 C ATOM 0 H ILE A 74 -6.086 7.012 1.570 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.479 8.315 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.435 6.585 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.670 7.920 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.942 6.224 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.527 7.787 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.671 8.458 0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.614 9.307 -0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.680 7.095 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.404 6.609 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.128 8.331 -2.532 1.00 0.00 H new ATOM 1226 N PRO A 75 -6.675 10.580 -0.657 1.00 0.00 N ATOM 1227 CA PRO A 75 -6.935 11.982 -0.378 1.00 0.00 C ATOM 1228 C PRO A 75 -8.315 12.168 0.257 1.00 0.00 C ATOM 1229 O PRO A 75 -9.158 11.275 0.191 1.00 0.00 O ATOM 1230 CB PRO A 75 -6.800 12.682 -1.720 1.00 0.00 C ATOM 1231 CG PRO A 75 -6.929 11.593 -2.773 1.00 0.00 C ATOM 1232 CD PRO A 75 -6.786 10.251 -2.075 1.00 0.00 C ATOM 0 HA PRO A 75 -6.239 12.403 0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.574 13.440 -1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.839 13.191 -1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.894 11.661 -3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.162 11.709 -3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.647 9.611 -2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.905 9.714 -2.427 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.501 13.333 0.859 1.00 0.00 N ATOM 1241 CA LYS A 76 -9.764 13.648 1.506 1.00 0.00 C ATOM 1242 C LYS A 76 -10.137 12.516 2.465 1.00 0.00 C ATOM 1243 O LYS A 76 -11.072 11.761 2.206 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.841 13.948 0.461 1.00 0.00 C ATOM 1245 CG LYS A 76 -11.570 15.253 0.785 1.00 0.00 C ATOM 1246 CD LYS A 76 -10.605 16.441 0.764 1.00 0.00 C ATOM 1247 CE LYS A 76 -10.544 17.121 2.133 1.00 0.00 C ATOM 1248 NZ LYS A 76 -10.468 18.591 1.978 1.00 0.00 N ATOM 0 H LYS A 76 -7.799 14.071 0.913 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.670 14.555 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.385 14.017 -0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.557 13.127 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.369 15.416 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.039 15.178 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.610 16.101 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.925 17.161 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.425 16.856 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.676 16.762 2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.427 19.037 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.614 18.840 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.309 18.930 1.469 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.385 12.434 3.553 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.625 11.407 4.553 1.00 0.00 C ATOM 1264 C LEU A 77 -11.035 11.574 5.121 1.00 0.00 C ATOM 1265 O LEU A 77 -11.871 10.681 4.989 1.00 0.00 O ATOM 1266 CB LEU A 77 -8.526 11.429 5.618 1.00 0.00 C ATOM 1267 CG LEU A 77 -7.095 11.594 5.102 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -6.910 10.880 3.761 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -6.708 13.072 5.023 1.00 0.00 C ATOM 0 H LEU A 77 -8.609 13.062 3.764 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.579 10.416 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.737 12.242 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.581 10.501 6.188 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.418 11.122 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.884 11.013 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.117 9.817 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.597 11.301 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.686 13.161 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.386 13.590 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.776 13.519 6.015 1.00 0.00 H new ATOM 1281 N ASP A 78 -11.257 12.723 5.742 1.00 0.00 N ATOM 1282 CA ASP A 78 -12.552 13.018 6.331 1.00 0.00 C ATOM 1283 C ASP A 78 -13.657 12.559 5.378 1.00 0.00 C ATOM 1284 O ASP A 78 -14.771 12.264 5.809 1.00 0.00 O ATOM 1285 CB ASP A 78 -12.722 14.521 6.562 1.00 0.00 C ATOM 1286 CG ASP A 78 -14.121 14.952 7.008 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -14.472 14.633 8.164 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -14.808 15.592 6.182 1.00 0.00 O ATOM 0 H ASP A 78 -10.561 13.461 5.850 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.615 12.496 7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.002 14.841 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.473 15.046 5.640 1.00 0.00 H new ATOM 1293 N SER A 79 -13.311 12.512 4.100 1.00 0.00 N ATOM 1294 CA SER A 79 -14.260 12.094 3.082 1.00 0.00 C ATOM 1295 C SER A 79 -14.298 10.567 2.998 1.00 0.00 C ATOM 1296 O SER A 79 -15.337 9.954 3.236 1.00 0.00 O ATOM 1297 CB SER A 79 -13.906 12.692 1.719 1.00 0.00 C ATOM 1298 OG SER A 79 -13.680 11.685 0.737 1.00 0.00 O ATOM 0 H SER A 79 -12.386 12.757 3.746 1.00 0.00 H new ATOM 0 HA SER A 79 -15.247 12.461 3.364 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.714 13.345 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.014 13.311 1.815 1.00 0.00 H new ATOM 0 HG SER A 79 -12.732 11.435 0.737 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.151 9.996 2.659 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.040 8.552 2.541 1.00 0.00 C ATOM 1306 C VAL A 80 -12.881 7.941 3.935 1.00 0.00 C ATOM 1307 O VAL A 80 -13.422 6.872 4.213 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.892 8.191 1.596 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.546 8.632 2.175 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -11.890 6.694 1.282 1.00 0.00 C ATOM 0 H VAL A 80 -12.291 10.507 2.462 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.947 8.134 2.104 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.047 8.729 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.747 8.364 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.550 9.712 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.381 8.135 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.064 6.465 0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.772 6.129 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.832 6.421 0.807 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.138 8.647 4.774 1.00 0.00 N ATOM 1321 CA LEU A 81 -11.901 8.188 6.132 1.00 0.00 C ATOM 1322 C LEU A 81 -13.224 8.182 6.902 1.00 0.00 C ATOM 1323 O LEU A 81 -13.257 7.845 8.084 1.00 0.00 O ATOM 1324 CB LEU A 81 -10.806 9.024 6.798 1.00 0.00 C ATOM 1325 CG LEU A 81 -11.161 9.636 8.154 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -10.792 8.689 9.297 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -10.515 11.013 8.320 1.00 0.00 C ATOM 0 H LEU A 81 -11.692 9.534 4.540 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.529 7.164 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.924 8.396 6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.529 9.830 6.119 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.241 9.780 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.055 9.149 10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.337 7.752 9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.720 8.490 9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.783 11.426 9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.431 10.917 8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.870 11.678 7.533 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.282 8.559 6.199 1.00 0.00 N ATOM 1340 CA LYS A 82 -15.604 8.601 6.801 1.00 0.00 C ATOM 1341 C LYS A 82 -16.581 7.806 5.933 1.00 0.00 C ATOM 1342 O LYS A 82 -16.643 6.581 6.025 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.035 10.048 7.044 1.00 0.00 C ATOM 1344 CG LYS A 82 -16.967 10.147 8.254 1.00 0.00 C ATOM 1345 CD LYS A 82 -17.985 9.004 8.257 1.00 0.00 C ATOM 1346 CE LYS A 82 -18.740 8.946 9.586 1.00 0.00 C ATOM 1347 NZ LYS A 82 -19.549 10.171 9.776 1.00 0.00 N ATOM 0 H LYS A 82 -14.251 8.838 5.218 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.591 8.127 7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.155 10.671 7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.540 10.434 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.381 10.119 9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -17.489 11.104 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -18.692 9.140 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.474 8.057 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -19.387 8.069 9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -18.033 8.839 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -20.145 10.066 10.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.918 10.989 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -20.153 10.321 8.943 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.320 8.535 5.110 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.291 7.913 4.226 1.00 0.00 C ATOM 1363 C TYR A 83 -18.430 8.701 2.922 1.00 0.00 C ATOM 1364 O TYR A 83 -19.115 8.265 1.998 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.625 7.947 4.974 1.00 0.00 C ATOM 1366 CG TYR A 83 -20.037 6.602 5.575 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -20.743 5.693 4.814 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -19.702 6.297 6.879 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -21.130 4.427 5.380 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -20.089 5.031 7.445 1.00 0.00 C ATOM 1371 CZ TYR A 83 -20.784 4.158 6.667 1.00 0.00 C ATOM 1372 OH TYR A 83 -21.150 2.962 7.202 1.00 0.00 O ATOM 0 H TYR A 83 -17.266 9.551 5.037 1.00 0.00 H new ATOM 0 HA TYR A 83 -17.982 6.900 3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.563 8.686 5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.405 8.282 4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -21.005 5.931 3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -19.149 7.008 7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -21.683 3.707 4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -19.833 4.780 8.464 1.00 0.00 H new ATOM 0 HH TYR A 83 -20.834 2.908 8.128 1.00 0.00 H new ATOM 1382 N LYS A 84 -17.770 9.850 2.889 1.00 0.00 N ATOM 1383 CA LYS A 84 -17.811 10.703 1.714 1.00 0.00 C ATOM 1384 C LYS A 84 -17.271 9.931 0.509 1.00 0.00 C ATOM 1385 O LYS A 84 -17.641 8.780 0.288 1.00 0.00 O ATOM 1386 CB LYS A 84 -17.077 12.019 1.982 1.00 0.00 C ATOM 1387 CG LYS A 84 -17.694 13.165 1.177 1.00 0.00 C ATOM 1388 CD LYS A 84 -17.316 14.521 1.775 1.00 0.00 C ATOM 1389 CE LYS A 84 -16.467 15.334 0.795 1.00 0.00 C ATOM 1390 NZ LYS A 84 -17.332 16.130 -0.103 1.00 0.00 N ATOM 0 H LYS A 84 -17.204 10.210 3.658 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.839 10.980 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.119 12.253 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.024 11.912 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -17.354 13.112 0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.779 13.060 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.220 15.076 2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.764 14.372 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.798 15.995 1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.840 14.665 0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.740 16.676 -0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.953 15.493 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.912 16.782 0.462 1.00 0.00 H new ATOM 1404 N HIS A 85 -16.403 10.597 -0.239 1.00 0.00 N ATOM 1405 CA HIS A 85 -15.807 9.988 -1.416 1.00 0.00 C ATOM 1406 C HIS A 85 -15.675 8.479 -1.202 1.00 0.00 C ATOM 1407 O HIS A 85 -15.636 7.713 -2.163 1.00 0.00 O ATOM 1408 CB HIS A 85 -14.475 10.657 -1.759 1.00 0.00 C ATOM 1409 CG HIS A 85 -14.566 12.154 -1.933 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -15.697 12.784 -2.423 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -13.657 13.138 -1.678 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -15.467 14.089 -2.457 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -14.202 14.306 -1.996 1.00 0.00 N ATOM 0 H HIS A 85 -16.098 11.552 -0.053 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.457 10.142 -2.278 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.756 10.436 -0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.086 10.218 -2.677 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.662 12.992 -1.284 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -16.160 14.847 -2.791 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -13.749 15.216 -1.910 1.00 0.00 H new ATOM 1421 N THR A 86 -15.611 8.097 0.065 1.00 0.00 N ATOM 1422 CA THR A 86 -15.484 6.693 0.418 1.00 0.00 C ATOM 1423 C THR A 86 -16.533 5.860 -0.322 1.00 0.00 C ATOM 1424 O THR A 86 -16.297 4.694 -0.635 1.00 0.00 O ATOM 1425 CB THR A 86 -15.581 6.578 1.941 1.00 0.00 C ATOM 1426 OG1 THR A 86 -14.344 5.981 2.322 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.636 5.563 2.385 1.00 0.00 C ATOM 0 H THR A 86 -15.645 8.735 0.860 1.00 0.00 H new ATOM 0 HA THR A 86 -14.519 6.293 0.108 1.00 0.00 H new ATOM 0 HB THR A 86 -15.815 7.554 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.192 6.127 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.664 5.520 3.474 1.00 0.00 H new ATOM 0 HG22 THR A 86 -17.613 5.865 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.383 4.579 1.990 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.669 6.492 -0.580 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.755 5.824 -1.277 1.00 0.00 C ATOM 1437 C ASP A 87 -18.177 4.945 -2.388 1.00 0.00 C ATOM 1438 O ASP A 87 -17.001 4.587 -2.354 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.702 6.838 -1.921 1.00 0.00 C ATOM 1440 CG ASP A 87 -21.182 6.645 -1.584 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.448 6.021 -0.534 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -22.013 7.127 -2.383 1.00 0.00 O ATOM 0 H ASP A 87 -17.861 7.459 -0.319 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.306 5.227 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.402 7.839 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.582 6.789 -3.003 1.00 0.00 H new ATOM 1447 N PRO A 88 -19.054 4.612 -3.373 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.644 3.782 -4.492 1.00 0.00 C ATOM 1449 C PRO A 88 -17.784 4.576 -5.478 1.00 0.00 C ATOM 1450 O PRO A 88 -17.727 4.247 -6.662 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.940 3.279 -5.106 1.00 0.00 C ATOM 1452 CG PRO A 88 -21.029 4.212 -4.601 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.455 5.017 -3.447 1.00 0.00 C ATOM 0 HA PRO A 88 -18.014 2.947 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.888 3.293 -6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.139 2.249 -4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.364 4.875 -5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.898 3.642 -4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.549 6.088 -3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.979 4.803 -2.515 1.00 0.00 H new ATOM 1461 N THR A 89 -17.137 5.606 -4.953 1.00 0.00 N ATOM 1462 CA THR A 89 -16.283 6.450 -5.772 1.00 0.00 C ATOM 1463 C THR A 89 -14.842 5.938 -5.743 1.00 0.00 C ATOM 1464 O THR A 89 -14.177 5.885 -6.776 1.00 0.00 O ATOM 1465 CB THR A 89 -16.427 7.890 -5.277 1.00 0.00 C ATOM 1466 OG1 THR A 89 -16.569 8.655 -6.470 1.00 0.00 O ATOM 1467 CG2 THR A 89 -15.139 8.423 -4.645 1.00 0.00 C ATOM 0 H THR A 89 -17.187 5.875 -3.970 1.00 0.00 H new ATOM 0 HA THR A 89 -16.584 6.420 -6.819 1.00 0.00 H new ATOM 0 HB THR A 89 -17.238 7.944 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.757 8.570 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.295 9.449 -4.310 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.867 7.801 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.336 8.400 -5.381 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.401 5.573 -4.548 1.00 0.00 N ATOM 1476 CA PHE A 90 -13.051 5.067 -4.370 1.00 0.00 C ATOM 1477 C PHE A 90 -13.060 3.561 -4.102 1.00 0.00 C ATOM 1478 O PHE A 90 -12.105 2.861 -4.435 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.460 5.786 -3.155 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.758 7.103 -3.492 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -11.023 7.210 -4.631 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.869 8.167 -2.652 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -10.372 8.433 -4.944 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.218 9.389 -2.964 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.483 9.496 -4.103 1.00 0.00 C ATOM 0 H PHE A 90 -14.955 5.618 -3.693 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.466 5.244 -5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.258 5.984 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.749 5.122 -2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.934 6.365 -5.298 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.453 8.082 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.789 8.519 -5.849 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.306 10.234 -2.297 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.987 10.426 -4.340 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.151 3.106 -3.502 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.297 1.695 -3.186 1.00 0.00 C ATOM 1497 C GLY A 91 -14.035 0.827 -4.418 1.00 0.00 C ATOM 1498 O GLY A 91 -12.979 0.928 -5.039 1.00 0.00 O ATOM 0 H GLY A 91 -14.941 3.689 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.603 1.423 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.302 1.505 -2.810 1.00 0.00 H new ATOM 1502 N MET A 92 -15.015 -0.007 -4.733 1.00 0.00 N ATOM 1503 CA MET A 92 -14.904 -0.893 -5.880 1.00 0.00 C ATOM 1504 C MET A 92 -13.723 -0.495 -6.768 1.00 0.00 C ATOM 1505 O MET A 92 -12.789 -1.274 -6.950 1.00 0.00 O ATOM 1506 CB MET A 92 -16.197 -0.837 -6.696 1.00 0.00 C ATOM 1507 CG MET A 92 -17.065 0.348 -6.268 1.00 0.00 C ATOM 1508 SD MET A 92 -16.615 1.802 -7.202 1.00 0.00 S ATOM 1509 CE MET A 92 -15.869 2.782 -5.910 1.00 0.00 C ATOM 0 H MET A 92 -15.889 -0.088 -4.214 1.00 0.00 H new ATOM 0 HA MET A 92 -14.736 -1.907 -5.517 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.959 -0.753 -7.756 1.00 0.00 H new ATOM 0 HB3 MET A 92 -16.753 -1.765 -6.567 1.00 0.00 H new ATOM 0 HG2 MET A 92 -18.118 0.115 -6.427 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.938 0.536 -5.202 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.073 3.837 -6.090 1.00 0.00 H new ATOM 0 HE2 MET A 92 -16.286 2.491 -4.946 1.00 0.00 H new ATOM 0 HE3 MET A 92 -14.792 2.617 -5.904 1.00 0.00 H new ATOM 1519 N ASP A 93 -13.803 0.718 -7.296 1.00 0.00 N ATOM 1520 CA ASP A 93 -12.753 1.228 -8.160 1.00 0.00 C ATOM 1521 C ASP A 93 -12.125 2.466 -7.516 1.00 0.00 C ATOM 1522 O ASP A 93 -12.678 3.561 -7.598 1.00 0.00 O ATOM 1523 CB ASP A 93 -13.312 1.638 -9.524 1.00 0.00 C ATOM 1524 CG ASP A 93 -14.106 2.945 -9.531 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -14.678 3.268 -8.467 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -14.125 3.592 -10.601 1.00 0.00 O ATOM 0 H ASP A 93 -14.579 1.362 -7.142 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.015 0.438 -8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.484 1.730 -10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.955 0.838 -9.892 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.978 2.250 -6.888 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.269 3.334 -6.230 1.00 0.00 C ATOM 1533 C LEU A 94 -9.296 3.977 -7.220 1.00 0.00 C ATOM 1534 O LEU A 94 -9.316 5.191 -7.416 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.602 2.836 -4.947 1.00 0.00 C ATOM 1536 CG LEU A 94 -8.083 3.010 -4.870 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -7.366 1.938 -5.694 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -7.671 4.424 -5.286 1.00 0.00 C ATOM 0 H LEU A 94 -10.522 1.340 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.966 4.112 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.051 3.357 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.833 1.777 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.776 2.878 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.288 2.084 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.624 0.951 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.674 2.014 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.587 4.521 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.992 4.610 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.140 5.150 -4.622 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.468 3.133 -7.819 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.489 3.604 -8.784 1.00 0.00 C ATOM 1552 C GLN A 95 -8.184 4.353 -9.922 1.00 0.00 C ATOM 1553 O GLN A 95 -7.579 5.209 -10.567 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.649 2.444 -9.323 1.00 0.00 C ATOM 1555 CG GLN A 95 -5.160 2.793 -9.310 1.00 0.00 C ATOM 1556 CD GLN A 95 -4.916 4.180 -9.908 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -5.150 5.203 -9.286 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -4.435 4.158 -11.148 1.00 0.00 N ATOM 0 H GLN A 95 -8.455 2.126 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.813 4.295 -8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.823 1.553 -8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.961 2.206 -10.340 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.785 2.763 -8.287 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.603 2.046 -9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.261 3.266 -11.612 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.240 5.033 -11.635 1.00 0.00 H new ATOM 1567 N LYS A 96 -9.444 4.004 -10.135 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.228 4.633 -11.185 1.00 0.00 C ATOM 1569 C LYS A 96 -10.517 6.085 -10.799 1.00 0.00 C ATOM 1570 O LYS A 96 -10.704 6.937 -11.667 1.00 0.00 O ATOM 1571 CB LYS A 96 -11.485 3.813 -11.479 1.00 0.00 C ATOM 1572 CG LYS A 96 -11.124 2.441 -12.052 1.00 0.00 C ATOM 1573 CD LYS A 96 -9.936 2.543 -13.011 1.00 0.00 C ATOM 1574 CE LYS A 96 -10.210 3.566 -14.116 1.00 0.00 C ATOM 1575 NZ LYS A 96 -10.879 2.919 -15.266 1.00 0.00 N ATOM 0 H LYS A 96 -9.942 3.294 -9.598 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.666 4.657 -12.118 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.064 3.688 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.117 4.351 -12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.882 1.756 -11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.984 2.024 -12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.041 2.830 -12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.737 1.567 -13.455 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.836 4.370 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.273 4.019 -14.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.058 3.627 -16.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.268 2.168 -15.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.782 2.507 -14.956 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.544 6.324 -9.496 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.807 7.658 -8.985 1.00 0.00 C ATOM 1591 C CYS A 97 -9.468 8.313 -8.640 1.00 0.00 C ATOM 1592 O CYS A 97 -9.275 9.504 -8.881 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.753 7.627 -7.783 1.00 0.00 C ATOM 1594 SG CYS A 97 -13.443 8.098 -8.304 1.00 0.00 S ATOM 0 H CYS A 97 -10.388 5.616 -8.779 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.314 8.249 -9.748 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.764 6.629 -7.344 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -11.397 8.311 -7.012 1.00 0.00 H new ATOM 0 HG CYS A 97 -14.283 7.176 -7.938 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.577 7.506 -8.082 1.00 0.00 N ATOM 1601 CA VAL A 98 -7.262 7.993 -7.701 1.00 0.00 C ATOM 1602 C VAL A 98 -6.375 8.078 -8.945 1.00 0.00 C ATOM 1603 O VAL A 98 -5.417 8.848 -8.977 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.671 7.102 -6.606 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -5.143 7.084 -6.678 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -7.150 7.546 -5.222 1.00 0.00 C ATOM 0 H VAL A 98 -8.740 6.519 -7.885 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.333 8.997 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.025 6.085 -6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.749 6.444 -5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.829 6.699 -7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.761 8.096 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.716 6.897 -4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.838 8.575 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.237 7.483 -5.176 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.726 7.275 -9.939 1.00 0.00 N ATOM 1617 CA GLN A 99 -5.974 7.249 -11.182 1.00 0.00 C ATOM 1618 C GLN A 99 -5.439 8.645 -11.507 1.00 0.00 C ATOM 1619 O GLN A 99 -4.379 8.781 -12.116 1.00 0.00 O ATOM 1620 CB GLN A 99 -6.829 6.709 -12.329 1.00 0.00 C ATOM 1621 CG GLN A 99 -8.280 7.179 -12.200 1.00 0.00 C ATOM 1622 CD GLN A 99 -8.549 8.383 -13.105 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -8.922 9.456 -12.659 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -8.339 8.147 -14.397 1.00 0.00 N ATOM 0 H GLN A 99 -7.522 6.637 -9.909 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.126 6.576 -11.057 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.418 7.043 -13.282 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.795 5.620 -12.331 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.955 6.364 -12.463 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.489 7.445 -11.164 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.027 7.225 -14.703 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.490 8.888 -15.082 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.197 9.647 -11.086 1.00 0.00 N ATOM 1634 CA ARG A 100 -5.812 11.028 -11.325 1.00 0.00 C ATOM 1635 C ARG A 100 -6.930 11.975 -10.885 1.00 0.00 C ATOM 1636 O ARG A 100 -6.666 13.095 -10.453 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.504 11.266 -12.805 1.00 0.00 C ATOM 1638 CG ARG A 100 -6.688 10.856 -13.684 1.00 0.00 C ATOM 1639 CD ARG A 100 -6.598 11.509 -15.064 1.00 0.00 C ATOM 1640 NE ARG A 100 -6.860 12.962 -14.956 1.00 0.00 N ATOM 1641 CZ ARG A 100 -6.613 13.845 -15.932 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -6.096 13.429 -17.096 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -6.883 15.144 -15.745 1.00 0.00 N ATOM 0 H ARG A 100 -7.076 9.530 -10.581 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.913 11.227 -10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.273 12.319 -12.967 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.619 10.698 -13.092 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.707 9.771 -13.791 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.621 11.145 -13.201 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.609 11.340 -15.491 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.320 11.050 -15.740 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.254 13.313 -14.083 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.891 12.440 -17.238 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.908 14.101 -17.840 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.277 15.461 -14.859 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.695 15.816 -16.489 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.157 11.489 -11.011 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.316 12.278 -10.631 1.00 0.00 C ATOM 1659 C GLY A 101 -9.317 12.564 -9.128 1.00 0.00 C ATOM 1660 O GLY A 101 -8.257 12.648 -8.508 1.00 0.00 O ATOM 0 H GLY A 101 -8.373 10.559 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.317 13.218 -11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.228 11.746 -10.904 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.517 12.707 -8.586 1.00 0.00 N ATOM 1665 CA LEU A 102 -10.669 12.983 -7.167 1.00 0.00 C ATOM 1666 C LEU A 102 -9.460 13.780 -6.675 1.00 0.00 C ATOM 1667 O LEU A 102 -9.453 15.009 -6.738 1.00 0.00 O ATOM 1668 CB LEU A 102 -10.908 11.686 -6.392 1.00 0.00 C ATOM 1669 CG LEU A 102 -11.919 11.766 -5.246 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -11.313 12.468 -4.029 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -13.217 12.433 -5.706 1.00 0.00 C ATOM 0 H LEU A 102 -11.393 12.637 -9.103 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.551 13.599 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.244 10.923 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.955 11.348 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.170 10.751 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.052 12.512 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.440 11.913 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.015 13.480 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.918 12.477 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.003 13.443 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.655 11.854 -6.519 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.465 13.049 -6.194 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.253 13.672 -5.691 1.00 0.00 C ATOM 1685 C TRP A 103 -6.084 12.724 -5.967 1.00 0.00 C ATOM 1686 O TRP A 103 -6.282 11.523 -6.143 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.395 14.031 -4.211 1.00 0.00 C ATOM 1688 CG TRP A 103 -7.666 15.514 -3.953 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -6.875 16.559 -4.234 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -8.849 16.080 -3.349 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -7.458 17.751 -3.855 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -8.696 17.450 -3.300 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -10.008 15.454 -2.859 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -9.665 18.311 -2.770 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -10.967 16.328 -2.332 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -10.829 17.710 -2.276 1.00 0.00 C ATOM 0 H TRP A 103 -8.474 12.030 -6.142 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.064 14.616 -6.202 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.207 13.444 -3.782 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.483 13.743 -3.689 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.903 16.478 -4.699 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.055 18.682 -3.962 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.148 14.383 -2.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -9.522 19.381 -2.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -11.878 15.898 -1.942 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -11.616 18.317 -1.853 1.00 0.00 H new ATOM 1707 N ASN A 104 -4.891 13.299 -5.995 1.00 0.00 N ATOM 1708 CA ASN A 104 -3.690 12.521 -6.247 1.00 0.00 C ATOM 1709 C ASN A 104 -2.999 12.213 -4.917 1.00 0.00 C ATOM 1710 O ASN A 104 -2.292 13.058 -4.371 1.00 0.00 O ATOM 1711 CB ASN A 104 -2.704 13.295 -7.124 1.00 0.00 C ATOM 1712 CG ASN A 104 -3.315 13.608 -8.491 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -4.521 13.596 -8.678 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -2.419 13.888 -9.433 1.00 0.00 N ATOM 0 H ASN A 104 -4.730 14.295 -5.847 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.984 11.605 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.421 14.223 -6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.792 12.712 -7.254 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.727 14.110 -10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.424 13.880 -9.209 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.234 10.969 -4.421 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.643 10.540 -3.165 1.00 0.00 C ATOM 1723 C PRO A 105 -1.155 10.227 -3.338 1.00 0.00 C ATOM 1724 O PRO A 105 -0.411 10.169 -2.361 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.458 9.330 -2.739 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.172 8.846 -3.991 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.067 9.942 -5.040 1.00 0.00 C ATOM 0 HA PRO A 105 -2.675 11.315 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.815 8.550 -2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.173 9.595 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.720 7.924 -4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.217 8.625 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.617 9.568 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.049 10.334 -5.303 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.766 10.033 -4.590 1.00 0.00 N ATOM 1736 CA LYS A 106 0.619 9.727 -4.904 1.00 0.00 C ATOM 1737 C LYS A 106 1.245 8.960 -3.738 1.00 0.00 C ATOM 1738 O LYS A 106 2.431 9.117 -3.451 1.00 0.00 O ATOM 1739 CB LYS A 106 1.378 11.002 -5.279 1.00 0.00 C ATOM 1740 CG LYS A 106 2.402 11.367 -4.202 1.00 0.00 C ATOM 1741 CD LYS A 106 1.719 11.613 -2.856 1.00 0.00 C ATOM 1742 CE LYS A 106 0.462 12.469 -3.027 1.00 0.00 C ATOM 1743 NZ LYS A 106 0.822 13.838 -3.457 1.00 0.00 N ATOM 0 H LYS A 106 -1.386 10.082 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 106 0.677 9.080 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.884 10.861 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.674 11.824 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.132 10.563 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.950 12.259 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.455 10.660 -2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.412 12.110 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.199 12.012 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.088 12.510 -2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.038 14.420 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.475 14.258 -2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.282 13.799 -4.389 1.00 0.00 H new ATOM 1757 N GLU A 107 0.420 8.146 -3.096 1.00 0.00 N ATOM 1758 CA GLU A 107 0.877 7.354 -1.967 1.00 0.00 C ATOM 1759 C GLU A 107 1.081 5.897 -2.388 1.00 0.00 C ATOM 1760 O GLU A 107 0.500 5.445 -3.374 1.00 0.00 O ATOM 1761 CB GLU A 107 -0.101 7.454 -0.795 1.00 0.00 C ATOM 1762 CG GLU A 107 0.185 8.695 0.053 1.00 0.00 C ATOM 1763 CD GLU A 107 -0.003 8.397 1.542 1.00 0.00 C ATOM 1764 OE1 GLU A 107 -0.613 7.347 1.838 1.00 0.00 O ATOM 1765 OE2 GLU A 107 0.468 9.226 2.351 1.00 0.00 O ATOM 0 H GLU A 107 -0.563 8.018 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 107 1.835 7.753 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.123 7.494 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.025 6.560 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.204 9.036 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.480 9.505 -0.246 1.00 0.00 H new ATOM 1772 N ALA A 108 1.907 5.202 -1.621 1.00 0.00 N ATOM 1773 CA ALA A 108 2.195 3.806 -1.902 1.00 0.00 C ATOM 1774 C ALA A 108 1.598 2.934 -0.795 1.00 0.00 C ATOM 1775 O ALA A 108 1.822 3.187 0.388 1.00 0.00 O ATOM 1776 CB ALA A 108 3.706 3.614 -2.045 1.00 0.00 C ATOM 0 H ALA A 108 2.387 5.580 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 108 1.738 3.502 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.921 2.566 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.076 4.232 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.199 3.906 -1.118 1.00 0.00 H new ATOM 1782 N LEU A 109 0.851 1.925 -1.219 1.00 0.00 N ATOM 1783 CA LEU A 109 0.221 1.014 -0.278 1.00 0.00 C ATOM 1784 C LEU A 109 1.162 -0.161 -0.005 1.00 0.00 C ATOM 1785 O LEU A 109 1.480 -0.929 -0.911 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.160 0.592 -0.784 1.00 0.00 C ATOM 1787 CG LEU A 109 -2.318 1.528 -0.435 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -2.171 2.075 0.987 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -2.449 2.648 -1.469 1.00 0.00 C ATOM 0 H LEU A 109 0.668 1.718 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 109 0.047 1.511 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.113 0.494 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.385 -0.397 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.243 0.953 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.007 2.738 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.165 1.247 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.236 2.630 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.280 3.299 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.527 3.228 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.634 2.216 -2.452 1.00 0.00 H new ATOM 1801 N TRP A 110 1.580 -0.264 1.248 1.00 0.00 N ATOM 1802 CA TRP A 110 2.478 -1.332 1.652 1.00 0.00 C ATOM 1803 C TRP A 110 1.690 -2.304 2.534 1.00 0.00 C ATOM 1804 O TRP A 110 1.137 -1.908 3.559 1.00 0.00 O ATOM 1805 CB TRP A 110 3.721 -0.771 2.345 1.00 0.00 C ATOM 1806 CG TRP A 110 3.942 -1.309 3.760 1.00 0.00 C ATOM 1807 CD1 TRP A 110 3.805 -0.656 4.922 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.348 -2.648 4.117 1.00 0.00 C ATOM 1809 NE1 TRP A 110 4.091 -1.472 5.997 1.00 0.00 N ATOM 1810 CE2 TRP A 110 4.432 -2.722 5.492 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.634 -3.759 3.304 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 4.802 -3.886 6.176 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 5.003 -4.915 4.003 1.00 0.00 C ATOM 1814 CH2 TRP A 110 5.092 -5.006 5.387 1.00 0.00 C ATOM 0 H TRP A 110 1.313 0.375 1.997 1.00 0.00 H new ATOM 0 HA TRP A 110 2.849 -1.873 0.782 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.597 -1.002 1.739 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.641 0.315 2.389 1.00 0.00 H new ATOM 0 HD1 TRP A 110 3.508 0.379 5.006 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.058 -1.207 6.981 1.00 0.00 H new ATOM 0 HE3 TRP A 110 4.574 -3.724 2.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.861 -3.918 7.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 5.235 -5.798 3.426 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.383 -5.936 5.852 1.00 0.00 H new ATOM 1825 N VAL A 111 1.664 -3.556 2.102 1.00 0.00 N ATOM 1826 CA VAL A 111 0.954 -4.587 2.839 1.00 0.00 C ATOM 1827 C VAL A 111 1.669 -5.927 2.652 1.00 0.00 C ATOM 1828 O VAL A 111 2.026 -6.293 1.533 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.512 -4.626 2.403 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -0.850 -5.960 1.735 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.444 -4.353 3.585 1.00 0.00 C ATOM 0 H VAL A 111 2.123 -3.880 1.251 1.00 0.00 H new ATOM 0 HA VAL A 111 0.957 -4.364 3.906 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.663 -3.835 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.898 -5.961 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.220 -6.096 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.673 -6.774 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.480 -4.387 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.288 -5.110 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.229 -3.367 3.998 1.00 0.00 H new ATOM 1841 N ASP A 112 1.857 -6.621 3.764 1.00 0.00 N ATOM 1842 CA ASP A 112 2.523 -7.912 3.737 1.00 0.00 C ATOM 1843 C ASP A 112 1.630 -8.956 4.410 1.00 0.00 C ATOM 1844 O ASP A 112 1.101 -8.719 5.494 1.00 0.00 O ATOM 1845 CB ASP A 112 3.850 -7.864 4.497 1.00 0.00 C ATOM 1846 CG ASP A 112 5.026 -8.536 3.788 1.00 0.00 C ATOM 1847 OD1 ASP A 112 4.870 -9.724 3.430 1.00 0.00 O ATOM 1848 OD2 ASP A 112 6.056 -7.848 3.619 1.00 0.00 O ATOM 0 H ASP A 112 1.560 -6.314 4.690 1.00 0.00 H new ATOM 0 HA ASP A 112 2.714 -8.171 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.106 -6.821 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.712 -8.338 5.469 1.00 0.00 H new ATOM 1853 N TRP A 113 1.490 -10.090 3.738 1.00 0.00 N ATOM 1854 CA TRP A 113 0.670 -11.171 4.258 1.00 0.00 C ATOM 1855 C TRP A 113 1.601 -12.311 4.678 1.00 0.00 C ATOM 1856 O TRP A 113 1.141 -13.398 5.023 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.380 -11.604 3.233 1.00 0.00 C ATOM 1858 CG TRP A 113 -1.740 -11.949 3.844 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -2.802 -11.147 3.998 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.143 -13.228 4.378 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -3.856 -11.812 4.591 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.443 -13.118 4.829 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.433 -14.437 4.477 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.145 -14.180 5.410 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -2.149 -15.490 5.061 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -3.457 -15.395 5.520 1.00 0.00 C ATOM 0 H TRP A 113 1.930 -10.283 2.839 1.00 0.00 H new ATOM 0 HA TRP A 113 0.106 -10.842 5.131 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.513 -10.805 2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.006 -12.472 2.690 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.830 -10.110 3.696 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.770 -11.418 4.814 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.416 -14.546 4.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.162 -14.069 5.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.649 -16.442 5.161 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -3.941 -16.254 5.960 1.00 0.00 H new ATOM 1877 N GLU A 114 2.894 -12.023 4.634 1.00 0.00 N ATOM 1878 CA GLU A 114 3.893 -13.010 5.005 1.00 0.00 C ATOM 1879 C GLU A 114 4.226 -12.894 6.494 1.00 0.00 C ATOM 1880 O GLU A 114 4.288 -13.899 7.200 1.00 0.00 O ATOM 1881 CB GLU A 114 5.152 -12.864 4.149 1.00 0.00 C ATOM 1882 CG GLU A 114 5.727 -14.234 3.781 1.00 0.00 C ATOM 1883 CD GLU A 114 6.668 -14.745 4.873 1.00 0.00 C ATOM 1884 OE1 GLU A 114 7.597 -13.985 5.223 1.00 0.00 O ATOM 1885 OE2 GLU A 114 6.437 -15.884 5.334 1.00 0.00 O ATOM 0 H GLU A 114 3.272 -11.120 4.347 1.00 0.00 H new ATOM 0 HA GLU A 114 3.481 -14.002 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.916 -12.309 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.900 -12.286 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.915 -14.946 3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.265 -14.164 2.836 1.00 0.00 H new ATOM 1892 N ASN A 115 4.432 -11.658 6.927 1.00 0.00 N ATOM 1893 CA ASN A 115 4.757 -11.398 8.319 1.00 0.00 C ATOM 1894 C ASN A 115 3.599 -10.644 8.976 1.00 0.00 C ATOM 1895 O ASN A 115 3.766 -10.047 10.039 1.00 0.00 O ATOM 1896 CB ASN A 115 6.013 -10.532 8.438 1.00 0.00 C ATOM 1897 CG ASN A 115 7.168 -11.323 9.056 1.00 0.00 C ATOM 1898 OD1 ASN A 115 7.521 -11.156 10.211 1.00 0.00 O ATOM 1899 ND2 ASN A 115 7.734 -12.192 8.223 1.00 0.00 N ATOM 0 H ASN A 115 4.380 -10.827 6.338 1.00 0.00 H new ATOM 0 HA ASN A 115 4.931 -12.356 8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.303 -10.168 7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 115 5.799 -9.656 9.050 1.00 0.00 H new ATOM 0 HD21 ASN A 115 8.513 -12.769 8.540 1.00 0.00 H new ATOM 0 HD22 ASN A 115 7.389 -12.282 7.267 1.00 0.00 H new ATOM 1906 N LYS A 116 2.451 -10.697 8.317 1.00 0.00 N ATOM 1907 CA LYS A 116 1.266 -10.027 8.824 1.00 0.00 C ATOM 1908 C LYS A 116 1.597 -8.561 9.110 1.00 0.00 C ATOM 1909 O LYS A 116 1.171 -8.011 10.125 1.00 0.00 O ATOM 1910 CB LYS A 116 0.702 -10.777 10.033 1.00 0.00 C ATOM 1911 CG LYS A 116 1.588 -10.578 11.264 1.00 0.00 C ATOM 1912 CD LYS A 116 0.791 -10.785 12.553 1.00 0.00 C ATOM 1913 CE LYS A 116 1.048 -12.175 13.140 1.00 0.00 C ATOM 1914 NZ LYS A 116 0.558 -12.248 14.534 1.00 0.00 N ATOM 0 H LYS A 116 2.316 -11.194 7.436 1.00 0.00 H new ATOM 0 HA LYS A 116 0.474 -10.035 8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.307 -10.424 10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.626 -11.840 9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.423 -11.278 11.232 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.013 -9.574 11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.066 -10.022 13.281 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.273 -10.663 12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 116 0.549 -12.930 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.115 -12.397 13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.740 -13.198 14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.053 -11.540 15.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.464 -12.057 14.553 1.00 0.00 H new ATOM 1928 N LEU A 117 2.353 -7.970 8.198 1.00 0.00 N ATOM 1929 CA LEU A 117 2.747 -6.578 8.339 1.00 0.00 C ATOM 1930 C LEU A 117 2.025 -5.739 7.282 1.00 0.00 C ATOM 1931 O LEU A 117 1.779 -6.209 6.173 1.00 0.00 O ATOM 1932 CB LEU A 117 4.270 -6.444 8.296 1.00 0.00 C ATOM 1933 CG LEU A 117 4.935 -5.925 9.572 1.00 0.00 C ATOM 1934 CD1 LEU A 117 6.433 -6.232 9.574 1.00 0.00 C ATOM 1935 CD2 LEU A 117 4.655 -4.433 9.768 1.00 0.00 C ATOM 0 H LEU A 117 2.704 -8.429 7.358 1.00 0.00 H new ATOM 0 HA LEU A 117 2.445 -6.194 9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.694 -7.420 8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.533 -5.776 7.476 1.00 0.00 H new ATOM 0 HG LEU A 117 4.498 -6.449 10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.881 -5.852 10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.584 -7.310 9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.904 -5.753 8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.139 -4.089 10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.047 -3.875 8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.580 -4.271 9.844 1.00 0.00 H new ATOM 1947 N VAL A 118 1.707 -4.511 7.664 1.00 0.00 N ATOM 1948 CA VAL A 118 1.019 -3.602 6.763 1.00 0.00 C ATOM 1949 C VAL A 118 1.405 -2.161 7.106 1.00 0.00 C ATOM 1950 O VAL A 118 1.957 -1.900 8.173 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.490 -3.847 6.824 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.846 -5.219 6.249 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -1.012 -3.699 8.254 1.00 0.00 C ATOM 0 H VAL A 118 1.913 -4.124 8.585 1.00 0.00 H new ATOM 0 HA VAL A 118 1.323 -3.784 5.732 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.978 -3.090 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.924 -5.368 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.525 -5.272 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -0.342 -5.996 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.087 -3.878 8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.514 -4.423 8.900 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.807 -2.691 8.614 1.00 0.00 H new ATOM 1963 N GLY A 119 1.100 -1.264 6.180 1.00 0.00 N ATOM 1964 CA GLY A 119 1.408 0.143 6.370 1.00 0.00 C ATOM 1965 C GLY A 119 1.246 0.922 5.063 1.00 0.00 C ATOM 1966 O GLY A 119 1.545 0.405 3.988 1.00 0.00 O ATOM 0 H GLY A 119 0.642 -1.485 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.751 0.563 7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.429 0.249 6.736 1.00 0.00 H new ATOM 1970 N ASN A 120 0.772 2.151 5.199 1.00 0.00 N ATOM 1971 CA ASN A 120 0.567 3.007 4.043 1.00 0.00 C ATOM 1972 C ASN A 120 1.815 3.863 3.819 1.00 0.00 C ATOM 1973 O ASN A 120 2.744 3.834 4.624 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.620 3.948 4.258 1.00 0.00 C ATOM 1975 CG ASN A 120 -0.353 4.910 5.417 1.00 0.00 C ATOM 1976 OD1 ASN A 120 0.105 4.529 6.482 1.00 0.00 O ATOM 1977 ND2 ASN A 120 -0.666 6.175 5.153 1.00 0.00 N ATOM 0 H ASN A 120 0.524 2.575 6.093 1.00 0.00 H new ATOM 0 HA ASN A 120 0.370 2.369 3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -0.809 4.515 3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -1.518 3.365 4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -0.526 6.894 5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -1.046 6.427 4.240 1.00 0.00 H new ATOM 1984 N GLU A 121 1.796 4.604 2.721 1.00 0.00 N ATOM 1985 CA GLU A 121 2.915 5.466 2.380 1.00 0.00 C ATOM 1986 C GLU A 121 4.062 4.641 1.795 1.00 0.00 C ATOM 1987 O GLU A 121 4.244 3.480 2.157 1.00 0.00 O ATOM 1988 CB GLU A 121 3.380 6.267 3.598 1.00 0.00 C ATOM 1989 CG GLU A 121 3.188 7.768 3.374 1.00 0.00 C ATOM 1990 CD GLU A 121 2.978 8.499 4.701 1.00 0.00 C ATOM 1991 OE1 GLU A 121 1.979 8.171 5.377 1.00 0.00 O ATOM 1992 OE2 GLU A 121 3.820 9.369 5.010 1.00 0.00 O ATOM 0 H GLU A 121 1.023 4.625 2.056 1.00 0.00 H new ATOM 0 HA GLU A 121 2.584 6.177 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.821 5.953 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.431 6.057 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.060 8.177 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.330 7.935 2.723 1.00 0.00 H new ATOM 1999 N PRO A 122 4.827 5.291 0.877 1.00 0.00 N ATOM 2000 CA PRO A 122 5.953 4.629 0.239 1.00 0.00 C ATOM 2001 C PRO A 122 7.139 4.517 1.198 1.00 0.00 C ATOM 2002 O PRO A 122 7.796 3.479 1.260 1.00 0.00 O ATOM 2003 CB PRO A 122 6.259 5.472 -0.988 1.00 0.00 C ATOM 2004 CG PRO A 122 5.604 6.821 -0.742 1.00 0.00 C ATOM 2005 CD PRO A 122 4.642 6.666 0.424 1.00 0.00 C ATOM 0 HA PRO A 122 5.731 3.600 -0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.334 5.580 -1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.865 5.005 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.357 7.576 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.073 7.156 -1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 122 4.865 7.378 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 122 3.612 6.846 0.115 1.00 0.00 H new ATOM 2013 N ALA A 123 7.377 5.599 1.924 1.00 0.00 N ATOM 2014 CA ALA A 123 8.472 5.635 2.878 1.00 0.00 C ATOM 2015 C ALA A 123 8.314 4.484 3.873 1.00 0.00 C ATOM 2016 O ALA A 123 9.301 3.979 4.406 1.00 0.00 O ATOM 2017 CB ALA A 123 8.506 7.001 3.566 1.00 0.00 C ATOM 0 H ALA A 123 6.830 6.458 1.871 1.00 0.00 H new ATOM 0 HA ALA A 123 9.427 5.503 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.328 7.028 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 123 8.650 7.781 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 123 7.564 7.169 4.088 1.00 0.00 H new ATOM 2023 N ASP A 124 7.064 4.104 4.095 1.00 0.00 N ATOM 2024 CA ASP A 124 6.764 3.022 5.017 1.00 0.00 C ATOM 2025 C ASP A 124 7.509 1.760 4.577 1.00 0.00 C ATOM 2026 O ASP A 124 8.160 1.104 5.388 1.00 0.00 O ATOM 2027 CB ASP A 124 5.267 2.707 5.028 1.00 0.00 C ATOM 2028 CG ASP A 124 4.554 3.003 6.349 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.135 3.767 7.149 1.00 0.00 O ATOM 2030 OD2 ASP A 124 3.443 2.459 6.529 1.00 0.00 O ATOM 0 H ASP A 124 6.248 4.526 3.652 1.00 0.00 H new ATOM 0 HA ASP A 124 7.075 3.334 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 124 4.785 3.280 4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.131 1.653 4.787 1.00 0.00 H new ATOM 2035 N ILE A 125 7.389 1.459 3.292 1.00 0.00 N ATOM 2036 CA ILE A 125 8.043 0.287 2.734 1.00 0.00 C ATOM 2037 C ILE A 125 9.496 0.244 3.211 1.00 0.00 C ATOM 2038 O ILE A 125 9.930 -0.745 3.799 1.00 0.00 O ATOM 2039 CB ILE A 125 7.895 0.266 1.211 1.00 0.00 C ATOM 2040 CG1 ILE A 125 6.947 -0.850 0.768 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.261 0.162 0.529 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.476 -1.555 -0.482 1.00 0.00 C ATOM 0 H ILE A 125 6.849 2.006 2.622 1.00 0.00 H new ATOM 0 HA ILE A 125 7.563 -0.624 3.091 1.00 0.00 H new ATOM 0 HB ILE A 125 7.450 1.210 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.829 -1.573 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.960 -0.434 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.128 0.149 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.874 1.019 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.756 -0.756 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.783 -2.344 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.570 -0.834 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.452 -1.990 -0.269 1.00 0.00 H new ATOM 2054 N ASP A 126 10.207 1.328 2.939 1.00 0.00 N ATOM 2055 CA ASP A 126 11.602 1.426 3.334 1.00 0.00 C ATOM 2056 C ASP A 126 11.747 0.990 4.793 1.00 0.00 C ATOM 2057 O ASP A 126 12.561 0.122 5.108 1.00 0.00 O ATOM 2058 CB ASP A 126 12.108 2.866 3.219 1.00 0.00 C ATOM 2059 CG ASP A 126 13.249 3.229 4.170 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.049 2.316 4.471 1.00 0.00 O ATOM 2061 OD2 ASP A 126 13.296 4.410 4.576 1.00 0.00 O ATOM 0 H ASP A 126 9.844 2.146 2.450 1.00 0.00 H new ATOM 0 HA ASP A 126 12.185 0.785 2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.440 3.038 2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.274 3.544 3.401 1.00 0.00 H new ATOM 2066 N LYS A 127 10.945 1.611 5.646 1.00 0.00 N ATOM 2067 CA LYS A 127 10.974 1.297 7.064 1.00 0.00 C ATOM 2068 C LYS A 127 10.842 -0.215 7.250 1.00 0.00 C ATOM 2069 O LYS A 127 11.605 -0.821 8.003 1.00 0.00 O ATOM 2070 CB LYS A 127 9.911 2.104 7.813 1.00 0.00 C ATOM 2071 CG LYS A 127 10.481 3.434 8.309 1.00 0.00 C ATOM 2072 CD LYS A 127 11.001 4.277 7.143 1.00 0.00 C ATOM 2073 CE LYS A 127 9.907 5.199 6.602 1.00 0.00 C ATOM 2074 NZ LYS A 127 9.704 6.351 7.508 1.00 0.00 N ATOM 0 H LYS A 127 10.271 2.330 5.382 1.00 0.00 H new ATOM 0 HA LYS A 127 11.929 1.590 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.061 2.291 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.539 1.526 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 127 9.710 3.986 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.289 3.246 9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 127 11.853 4.872 7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 127 11.357 3.623 6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.181 5.554 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.975 4.644 6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.156 7.086 7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.185 6.040 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 10.627 6.737 7.790 1.00 0.00 H new ATOM 2088 N TYR A 128 9.869 -0.783 6.553 1.00 0.00 N ATOM 2089 CA TYR A 128 9.628 -2.214 6.632 1.00 0.00 C ATOM 2090 C TYR A 128 10.494 -2.972 5.624 1.00 0.00 C ATOM 2091 O TYR A 128 11.580 -3.441 5.962 1.00 0.00 O ATOM 2092 CB TYR A 128 8.154 -2.413 6.272 1.00 0.00 C ATOM 2093 CG TYR A 128 7.181 -1.731 7.235 1.00 0.00 C ATOM 2094 CD1 TYR A 128 6.989 -2.244 8.501 1.00 0.00 C ATOM 2095 CD2 TYR A 128 6.495 -0.601 6.837 1.00 0.00 C ATOM 2096 CE1 TYR A 128 6.072 -1.602 9.407 1.00 0.00 C ATOM 2097 CE2 TYR A 128 5.578 0.041 7.743 1.00 0.00 C ATOM 2098 CZ TYR A 128 5.412 -0.491 8.983 1.00 0.00 C ATOM 2099 OH TYR A 128 4.547 0.116 9.839 1.00 0.00 O ATOM 0 H TYR A 128 9.238 -0.278 5.931 1.00 0.00 H new ATOM 0 HA TYR A 128 9.870 -2.590 7.626 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.981 -2.031 5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 128 7.937 -3.481 6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 128 7.527 -3.127 8.813 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.646 -0.198 5.846 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.912 -1.994 10.401 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.034 0.925 7.444 1.00 0.00 H new ATOM 0 HH TYR A 128 4.149 0.898 9.402 1.00 0.00 H new ATOM 2109 N ILE A 129 9.981 -3.070 4.406 1.00 0.00 N ATOM 2110 CA ILE A 129 10.694 -3.763 3.347 1.00 0.00 C ATOM 2111 C ILE A 129 11.057 -2.766 2.245 1.00 0.00 C ATOM 2112 O ILE A 129 10.270 -2.534 1.329 1.00 0.00 O ATOM 2113 CB ILE A 129 9.882 -4.961 2.850 1.00 0.00 C ATOM 2114 CG1 ILE A 129 8.383 -4.660 2.886 1.00 0.00 C ATOM 2115 CG2 ILE A 129 10.232 -6.225 3.638 1.00 0.00 C ATOM 2116 CD1 ILE A 129 7.853 -4.681 4.321 1.00 0.00 C ATOM 0 H ILE A 129 9.080 -2.681 4.129 1.00 0.00 H new ATOM 0 HA ILE A 129 11.630 -4.176 3.724 1.00 0.00 H new ATOM 0 HB ILE A 129 10.148 -5.146 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.194 -3.684 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 129 7.847 -5.395 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 129 9.641 -7.062 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 129 11.292 -6.447 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.012 -6.068 4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 129 6.785 -4.464 4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.022 -5.666 4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.374 -3.928 4.912 1.00 0.00 H new ATOM 2128 N ILE A 130 12.250 -2.204 2.370 1.00 0.00 N ATOM 2129 CA ILE A 130 12.727 -1.237 1.395 1.00 0.00 C ATOM 2130 C ILE A 130 12.525 -1.797 -0.014 1.00 0.00 C ATOM 2131 O ILE A 130 11.743 -2.726 -0.210 1.00 0.00 O ATOM 2132 CB ILE A 130 14.174 -0.841 1.698 1.00 0.00 C ATOM 2133 CG1 ILE A 130 15.039 -2.077 1.951 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.239 0.153 2.859 1.00 0.00 C ATOM 2135 CD1 ILE A 130 15.589 -2.639 0.639 1.00 0.00 C ATOM 0 H ILE A 130 12.901 -2.399 3.131 1.00 0.00 H new ATOM 0 HA ILE A 130 12.148 -0.315 1.458 1.00 0.00 H new ATOM 0 HB ILE A 130 14.581 -0.338 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 130 15.864 -1.818 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 130 14.449 -2.840 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.278 0.418 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.678 1.051 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 130 13.807 -0.301 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.200 -3.517 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 130 14.761 -2.919 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 130 16.198 -1.882 0.146 1.00 0.00 H new ATOM 2147 N GLN A 131 13.244 -1.209 -0.959 1.00 0.00 N ATOM 2148 CA GLN A 131 13.153 -1.638 -2.344 1.00 0.00 C ATOM 2149 C GLN A 131 13.338 -3.154 -2.444 1.00 0.00 C ATOM 2150 O GLN A 131 12.475 -3.855 -2.970 1.00 0.00 O ATOM 2151 CB GLN A 131 14.174 -0.903 -3.214 1.00 0.00 C ATOM 2152 CG GLN A 131 14.268 0.573 -2.820 1.00 0.00 C ATOM 2153 CD GLN A 131 15.576 0.860 -2.078 1.00 0.00 C ATOM 2154 OE1 GLN A 131 16.154 1.929 -2.178 1.00 0.00 O ATOM 2155 NE2 GLN A 131 16.007 -0.153 -1.331 1.00 0.00 N ATOM 0 H GLN A 131 13.892 -0.439 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 131 12.160 -1.387 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.152 -1.374 -3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 131 13.890 -0.986 -4.263 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.208 1.196 -3.712 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.421 0.839 -2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 131 15.473 -1.021 -1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 131 16.871 -0.061 -0.797 1.00 0.00 H new ATOM 2164 N ARG A 132 14.469 -3.614 -1.931 1.00 0.00 N ATOM 2165 CA ARG A 132 14.779 -5.034 -1.955 1.00 0.00 C ATOM 2166 C ARG A 132 14.716 -5.615 -0.541 1.00 0.00 C ATOM 2167 O ARG A 132 15.223 -6.708 -0.293 1.00 0.00 O ATOM 2168 CB ARG A 132 16.170 -5.284 -2.541 1.00 0.00 C ATOM 2169 CG ARG A 132 17.187 -4.285 -1.985 1.00 0.00 C ATOM 2170 CD ARG A 132 17.804 -4.799 -0.682 1.00 0.00 C ATOM 2171 NE ARG A 132 18.168 -3.659 0.189 1.00 0.00 N ATOM 2172 CZ ARG A 132 19.088 -2.737 -0.126 1.00 0.00 C ATOM 2173 NH1 ARG A 132 19.742 -2.814 -1.292 1.00 0.00 N ATOM 2174 NH2 ARG A 132 19.353 -1.737 0.727 1.00 0.00 N ATOM 0 H ARG A 132 15.182 -3.029 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 132 14.038 -5.525 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.489 -6.300 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.131 -5.202 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 132 17.973 -4.113 -2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 132 16.701 -3.326 -1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 132 17.097 -5.450 -0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 132 18.688 -5.398 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 132 17.689 -3.570 1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 132 19.540 -3.575 -1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 132 20.442 -2.112 -1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 132 18.854 -1.678 1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 132 20.053 -1.035 0.488 1.00 0.00 H new ATOM 2188 N LYS A 133 14.090 -4.859 0.348 1.00 0.00 N ATOM 2189 CA LYS A 133 13.954 -5.285 1.730 1.00 0.00 C ATOM 2190 C LYS A 133 15.343 -5.415 2.358 1.00 0.00 C ATOM 2191 O LYS A 133 16.274 -5.906 1.721 1.00 0.00 O ATOM 2192 CB LYS A 133 13.119 -6.564 1.817 1.00 0.00 C ATOM 2193 CG LYS A 133 13.508 -7.391 3.044 1.00 0.00 C ATOM 2194 CD LYS A 133 14.700 -8.299 2.737 1.00 0.00 C ATOM 2195 CE LYS A 133 15.558 -8.518 3.985 1.00 0.00 C ATOM 2196 NZ LYS A 133 14.778 -9.208 5.036 1.00 0.00 N ATOM 0 H LYS A 133 13.671 -3.953 0.138 1.00 0.00 H new ATOM 0 HA LYS A 133 13.411 -4.537 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 133 12.061 -6.309 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.261 -7.158 0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.756 -6.726 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 133 12.659 -7.995 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 133 14.344 -9.259 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.306 -7.855 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 133 16.438 -9.109 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 133 15.916 -7.559 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 15.414 -9.798 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 14.317 -8.503 5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.054 -9.809 4.593 1.00 0.00 H new TER 2210 LYS A 133