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 -73:sc= 0.533! USER MOD Set 1.2: A 97 CYS SG : rot 85:sc= -1.72 USER MOD Set 2.1: A 73 GLN : amide:sc= -8.78! C(o=-24!,f=-36!) USER MOD Set 2.2: A 120 ASN : amide:sc= -14.8! C(o=-24!,f=-32!) USER MOD Set 3.1: A 65 GLN : amide:sc= -0.481 K(o=-1.1,f=-3.9!) USER MOD Set 3.2: A 69 SER OG : rot 180:sc= -0.632 USER MOD Set 4.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 39 SER OG : rot 63:sc= 0.922 USER MOD Set 5.1: A 28 GLN : amide:sc= -8.81! C(o=-9.8!,f=-9.5!) USER MOD Set 5.2: A 32 GLN : amide:sc= -1.01 K(o=-9.8,f=-11) USER MOD Single : A 1 MET CE :methyl -102:sc= -0.0742 (180deg=-0.917) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0 (180deg=-0.00557) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.3) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 130:sc= -1.86! USER MOD Single : A 19 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -2.71! C(o=-2.7!,f=-1.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -1.95 USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= -6.18! (180deg=-11.4!) USER MOD Single : A 30 CYS SG : rot 70:sc= -4.5! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.673 K(o=-0.67,f=-1.4) USER MOD Single : A 48 ASN : amide:sc= -3.88! C(o=-3.9!,f=-2.9!) USER MOD Single : A 52 THR OG1 : rot -170:sc= -5.37! USER MOD Single : A 55 GLN : amide:sc= -0.032 K(o=-0.032,f=-1.7!) USER MOD Single : A 57 GLN : amide:sc= -2.53 K(o=-2.5,f=-4.1) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -164:sc= -8.82! (180deg=-9.65!) USER MOD Single : A 61 THR OG1 : rot 69:sc= 0.383 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -130:sc= -8.32! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -103:sc= -0.216 (180deg=-2.38!) USER MOD Single : A 79 SER OG : rot 180:sc= -1.39 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -101:sc= 0.154 USER MOD Single : A 84 LYS NZ :NH3+ 158:sc= -0.0437 (180deg=-0.368) USER MOD Single : A 85 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.28) USER MOD Single : A 86 THR OG1 : rot -109:sc= -7.92! USER MOD Single : A 92 MET CE :methyl -150:sc= -16.4! (180deg=-21.4!) USER MOD Single : A 95 GLN : amide:sc= -3.47 K(o=-3.5,f=-1.2) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -2.71! C(o=-2.7!,f=-8.6!) USER MOD Single : A 104 ASN : amide:sc= -0.748! C(o=-0.75!,f=-4.8!) USER MOD Single : A 106 LYS NZ :NH3+ -125:sc= -1.16! (180deg=-2.02!) USER MOD Single : A 115 ASN : amide:sc= -7.18! C(o=-7.2!,f=-18!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 156:sc= -0.0826 (180deg=-0.467) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -9.89! C(o=-9.9!,f=-12!) USER MOD Single : A 133 LYS NZ :NH3+ -135:sc= -1.46 (180deg=-5.97!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.388 -14.595 13.510 1.00 0.00 N ATOM 2 CA MET A 1 24.017 -14.136 13.369 1.00 0.00 C ATOM 3 C MET A 1 23.966 -12.621 13.155 1.00 0.00 C ATOM 4 O MET A 1 24.406 -11.855 14.010 1.00 0.00 O ATOM 5 CB MET A 1 23.224 -14.501 14.625 1.00 0.00 C ATOM 6 CG MET A 1 22.404 -15.774 14.406 1.00 0.00 C ATOM 7 SD MET A 1 23.075 -17.108 15.384 1.00 0.00 S ATOM 8 CE MET A 1 23.995 -17.980 14.128 1.00 0.00 C ATOM 0 H1 MET A 1 25.394 -15.617 13.705 1.00 0.00 H new ATOM 0 H2 MET A 1 25.909 -14.407 12.630 1.00 0.00 H new ATOM 0 H3 MET A 1 25.844 -14.090 14.297 1.00 0.00 H new ATOM 0 HA MET A 1 23.578 -14.623 12.498 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.907 -14.644 15.462 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.561 -13.678 14.892 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.364 -15.598 14.681 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.413 -16.045 13.350 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.435 -18.860 13.811 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.154 -17.324 13.272 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.959 -18.290 14.532 1.00 0.00 H new ATOM 18 N SER A 2 23.424 -12.236 12.008 1.00 0.00 N ATOM 19 CA SER A 2 23.310 -10.828 11.671 1.00 0.00 C ATOM 20 C SER A 2 22.098 -10.604 10.764 1.00 0.00 C ATOM 21 O SER A 2 21.579 -11.548 10.170 1.00 0.00 O ATOM 22 CB SER A 2 24.582 -10.319 10.990 1.00 0.00 C ATOM 23 OG SER A 2 24.706 -10.805 9.657 1.00 0.00 O ATOM 0 H SER A 2 23.059 -12.875 11.301 1.00 0.00 H new ATOM 0 HA SER A 2 23.175 -10.266 12.595 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.576 -9.229 10.979 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.452 -10.627 11.570 1.00 0.00 H new ATOM 0 HG SER A 2 25.530 -10.456 9.257 1.00 0.00 H new ATOM 29 N PHE A 3 21.681 -9.348 10.687 1.00 0.00 N ATOM 30 CA PHE A 3 20.539 -8.989 9.863 1.00 0.00 C ATOM 31 C PHE A 3 20.742 -7.618 9.213 1.00 0.00 C ATOM 32 O PHE A 3 20.872 -6.611 9.908 1.00 0.00 O ATOM 33 CB PHE A 3 19.322 -8.926 10.788 1.00 0.00 C ATOM 34 CG PHE A 3 18.471 -10.198 10.783 1.00 0.00 C ATOM 35 CD1 PHE A 3 17.726 -10.513 9.690 1.00 0.00 C ATOM 36 CD2 PHE A 3 18.461 -11.013 11.872 1.00 0.00 C ATOM 37 CE1 PHE A 3 16.936 -11.693 9.686 1.00 0.00 C ATOM 38 CE2 PHE A 3 17.671 -12.193 11.868 1.00 0.00 C ATOM 39 CZ PHE A 3 16.926 -12.508 10.775 1.00 0.00 C ATOM 0 H PHE A 3 22.113 -8.567 11.181 1.00 0.00 H new ATOM 0 HA PHE A 3 20.408 -9.723 9.068 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.661 -8.732 11.806 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.698 -8.082 10.494 1.00 0.00 H new ATOM 0 HD1 PHE A 3 17.735 -9.866 8.825 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.054 -10.763 12.739 1.00 0.00 H new ATOM 0 HE1 PHE A 3 16.343 -11.943 8.819 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.662 -12.840 12.733 1.00 0.00 H new ATOM 0 HZ PHE A 3 16.326 -13.406 10.772 1.00 0.00 H new ATOM 49 N TRP A 4 20.763 -7.624 7.889 1.00 0.00 N ATOM 50 CA TRP A 4 20.948 -6.394 7.138 1.00 0.00 C ATOM 51 C TRP A 4 19.601 -5.672 7.074 1.00 0.00 C ATOM 52 O TRP A 4 19.532 -4.460 7.272 1.00 0.00 O ATOM 53 CB TRP A 4 21.540 -6.679 5.756 1.00 0.00 C ATOM 54 CG TRP A 4 23.054 -6.899 5.760 1.00 0.00 C ATOM 55 CD1 TRP A 4 23.732 -7.974 5.337 1.00 0.00 C ATOM 56 CD2 TRP A 4 24.056 -5.973 6.230 1.00 0.00 C ATOM 57 NE1 TRP A 4 25.093 -7.809 5.498 1.00 0.00 N ATOM 58 CE2 TRP A 4 25.296 -6.554 6.059 1.00 0.00 C ATOM 59 CE3 TRP A 4 23.919 -4.686 6.781 1.00 0.00 C ATOM 60 CZ2 TRP A 4 26.494 -5.922 6.413 1.00 0.00 C ATOM 61 CZ3 TRP A 4 25.126 -4.068 7.130 1.00 0.00 C ATOM 62 CH2 TRP A 4 26.382 -4.640 6.964 1.00 0.00 C ATOM 0 H TRP A 4 20.655 -8.461 7.316 1.00 0.00 H new ATOM 0 HA TRP A 4 21.668 -5.744 7.634 1.00 0.00 H new ATOM 0 HB2 TRP A 4 21.056 -7.563 5.340 1.00 0.00 H new ATOM 0 HB3 TRP A 4 21.306 -5.846 5.093 1.00 0.00 H new ATOM 0 HD1 TRP A 4 23.272 -8.859 4.922 1.00 0.00 H new ATOM 0 HE1 TRP A 4 25.817 -8.484 5.251 1.00 0.00 H new ATOM 0 HE3 TRP A 4 22.959 -4.212 6.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 27.453 -6.398 6.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 25.078 -3.078 7.558 1.00 0.00 H new ATOM 0 HH2 TRP A 4 27.268 -4.097 7.259 1.00 0.00 H new ATOM 73 N LYS A 5 18.563 -6.447 6.796 1.00 0.00 N ATOM 74 CA LYS A 5 17.221 -5.896 6.704 1.00 0.00 C ATOM 75 C LYS A 5 16.715 -5.558 8.108 1.00 0.00 C ATOM 76 O LYS A 5 15.690 -4.896 8.260 1.00 0.00 O ATOM 77 CB LYS A 5 16.304 -6.847 5.932 1.00 0.00 C ATOM 78 CG LYS A 5 16.896 -7.189 4.563 1.00 0.00 C ATOM 79 CD LYS A 5 17.789 -6.056 4.053 1.00 0.00 C ATOM 80 CE LYS A 5 18.058 -6.203 2.554 1.00 0.00 C ATOM 81 NZ LYS A 5 19.425 -6.720 2.321 1.00 0.00 N ATOM 0 H LYS A 5 18.624 -7.452 6.631 1.00 0.00 H new ATOM 0 HA LYS A 5 17.229 -4.966 6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.156 -7.761 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.324 -6.388 5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.475 -8.110 4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.092 -7.372 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.311 -5.096 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.733 -6.059 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.327 -6.880 2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.939 -5.238 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.591 -6.814 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.119 -6.060 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.526 -7.650 2.775 1.00 0.00 H new ATOM 95 N THR A 6 17.458 -6.029 9.099 1.00 0.00 N ATOM 96 CA THR A 6 17.098 -5.786 10.485 1.00 0.00 C ATOM 97 C THR A 6 15.584 -5.911 10.673 1.00 0.00 C ATOM 98 O THR A 6 14.851 -4.938 10.501 1.00 0.00 O ATOM 99 CB THR A 6 17.648 -4.414 10.883 1.00 0.00 C ATOM 100 OG1 THR A 6 16.941 -4.090 12.077 1.00 0.00 O ATOM 101 CG2 THR A 6 17.243 -3.314 9.900 1.00 0.00 C ATOM 0 H THR A 6 18.308 -6.578 8.969 1.00 0.00 H new ATOM 0 HA THR A 6 17.539 -6.533 11.145 1.00 0.00 H new ATOM 0 HB THR A 6 18.735 -4.463 10.946 1.00 0.00 H new ATOM 0 HG1 THR A 6 17.237 -3.215 12.405 1.00 0.00 H new ATOM 0 HG21 THR A 6 17.659 -2.361 10.228 1.00 0.00 H new ATOM 0 HG22 THR A 6 17.625 -3.554 8.908 1.00 0.00 H new ATOM 0 HG23 THR A 6 16.156 -3.242 9.862 1.00 0.00 H new ATOM 109 N LEU A 7 15.162 -7.117 11.023 1.00 0.00 N ATOM 110 CA LEU A 7 13.749 -7.382 11.236 1.00 0.00 C ATOM 111 C LEU A 7 13.575 -8.810 11.757 1.00 0.00 C ATOM 112 O LEU A 7 14.300 -9.716 11.350 1.00 0.00 O ATOM 113 CB LEU A 7 12.951 -7.091 9.963 1.00 0.00 C ATOM 114 CG LEU A 7 12.049 -5.856 10.004 1.00 0.00 C ATOM 115 CD1 LEU A 7 12.378 -4.898 8.858 1.00 0.00 C ATOM 116 CD2 LEU A 7 10.572 -6.257 10.011 1.00 0.00 C ATOM 0 H LEU A 7 15.773 -7.921 11.164 1.00 0.00 H new ATOM 0 HA LEU A 7 13.347 -6.713 11.997 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.652 -6.977 9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.333 -7.960 9.739 1.00 0.00 H new ATOM 0 HG LEU A 7 12.242 -5.322 10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.722 -4.029 8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.416 -4.575 8.940 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.231 -5.406 7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.952 -5.361 10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.345 -6.826 9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.366 -6.870 10.888 1.00 0.00 H new ATOM 128 N GLN A 8 12.610 -8.966 12.651 1.00 0.00 N ATOM 129 CA GLN A 8 12.332 -10.268 13.233 1.00 0.00 C ATOM 130 C GLN A 8 12.451 -11.361 12.169 1.00 0.00 C ATOM 131 O GLN A 8 13.536 -11.896 11.942 1.00 0.00 O ATOM 132 CB GLN A 8 10.950 -10.291 13.890 1.00 0.00 C ATOM 133 CG GLN A 8 10.614 -11.690 14.411 1.00 0.00 C ATOM 134 CD GLN A 8 11.257 -11.936 15.777 1.00 0.00 C ATOM 135 OE1 GLN A 8 12.369 -12.425 15.890 1.00 0.00 O ATOM 136 NE2 GLN A 8 10.498 -11.570 16.806 1.00 0.00 N ATOM 0 H GLN A 8 12.011 -8.212 12.987 1.00 0.00 H new ATOM 0 HA GLN A 8 13.071 -10.462 14.010 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.922 -9.576 14.713 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.195 -9.976 13.169 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.533 -11.803 14.489 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.963 -12.440 13.701 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.576 -11.166 16.641 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.838 -11.693 17.760 1.00 0.00 H new ATOM 145 N ARG A 9 11.322 -11.660 11.544 1.00 0.00 N ATOM 146 CA ARG A 9 11.286 -12.680 10.510 1.00 0.00 C ATOM 147 C ARG A 9 11.051 -12.038 9.141 1.00 0.00 C ATOM 148 O ARG A 9 10.322 -11.054 9.029 1.00 0.00 O ATOM 149 CB ARG A 9 10.182 -13.703 10.782 1.00 0.00 C ATOM 150 CG ARG A 9 10.769 -15.026 11.276 1.00 0.00 C ATOM 151 CD ARG A 9 9.662 -15.996 11.694 1.00 0.00 C ATOM 152 NE ARG A 9 9.483 -17.037 10.657 1.00 0.00 N ATOM 153 CZ ARG A 9 10.410 -17.953 10.345 1.00 0.00 C ATOM 154 NH1 ARG A 9 11.586 -17.962 10.987 1.00 0.00 N ATOM 155 NH2 ARG A 9 10.161 -18.859 9.390 1.00 0.00 N ATOM 0 H ARG A 9 10.425 -11.214 11.734 1.00 0.00 H new ATOM 0 HA ARG A 9 12.248 -13.192 10.516 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.491 -13.308 11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.607 -13.874 9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.373 -15.476 10.488 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.433 -14.841 12.121 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.915 -16.460 12.647 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.728 -15.453 11.841 1.00 0.00 H new ATOM 0 HE ARG A 9 8.599 -17.058 10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.776 -17.272 11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.291 -18.659 10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.266 -18.851 8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.866 -19.556 9.152 1.00 0.00 H new ATOM 169 N GLN A 10 11.684 -12.622 8.133 1.00 0.00 N ATOM 170 CA GLN A 10 11.553 -12.120 6.776 1.00 0.00 C ATOM 171 C GLN A 10 10.361 -12.778 6.079 1.00 0.00 C ATOM 172 O GLN A 10 10.215 -13.999 6.110 1.00 0.00 O ATOM 173 CB GLN A 10 12.842 -12.341 5.983 1.00 0.00 C ATOM 174 CG GLN A 10 13.203 -13.827 5.926 1.00 0.00 C ATOM 175 CD GLN A 10 14.439 -14.124 6.779 1.00 0.00 C ATOM 176 OE1 GLN A 10 14.779 -13.398 7.698 1.00 0.00 O ATOM 177 NE2 GLN A 10 15.089 -15.228 6.423 1.00 0.00 N ATOM 0 H GLN A 10 12.289 -13.438 8.230 1.00 0.00 H new ATOM 0 HA GLN A 10 11.374 -11.046 6.823 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.722 -11.953 4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.657 -11.783 6.444 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.361 -14.423 6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.391 -14.120 4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.749 -15.791 5.643 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.927 -15.512 6.930 1.00 0.00 H new ATOM 186 N PRO A 11 9.516 -11.918 5.450 1.00 0.00 N ATOM 187 CA PRO A 11 8.341 -12.403 4.747 1.00 0.00 C ATOM 188 C PRO A 11 8.727 -13.051 3.415 1.00 0.00 C ATOM 189 O PRO A 11 9.880 -13.430 3.217 1.00 0.00 O ATOM 190 CB PRO A 11 7.452 -11.182 4.577 1.00 0.00 C ATOM 191 CG PRO A 11 8.357 -9.977 4.773 1.00 0.00 C ATOM 192 CD PRO A 11 9.656 -10.466 5.392 1.00 0.00 C ATOM 0 HA PRO A 11 7.818 -13.187 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.992 -11.168 3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.642 -11.184 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.550 -9.485 3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.879 -9.242 5.420 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.516 -10.175 4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.805 -10.043 6.385 1.00 0.00 H new ATOM 200 N ARG A 12 7.740 -13.159 2.538 1.00 0.00 N ATOM 201 CA ARG A 12 7.963 -13.754 1.231 1.00 0.00 C ATOM 202 C ARG A 12 7.147 -13.018 0.167 1.00 0.00 C ATOM 203 O ARG A 12 7.634 -12.777 -0.937 1.00 0.00 O ATOM 204 CB ARG A 12 7.575 -15.234 1.227 1.00 0.00 C ATOM 205 CG ARG A 12 8.604 -16.068 0.461 1.00 0.00 C ATOM 206 CD ARG A 12 8.172 -17.534 0.382 1.00 0.00 C ATOM 207 NE ARG A 12 8.989 -18.249 -0.624 1.00 0.00 N ATOM 208 CZ ARG A 12 10.258 -18.631 -0.427 1.00 0.00 C ATOM 209 NH1 ARG A 12 10.863 -18.370 0.740 1.00 0.00 N ATOM 210 NH2 ARG A 12 10.922 -19.275 -1.396 1.00 0.00 N ATOM 0 H ARG A 12 6.784 -12.845 2.707 1.00 0.00 H new ATOM 0 HA ARG A 12 9.026 -13.667 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.498 -15.596 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.592 -15.355 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.727 -15.667 -0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.574 -15.997 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.284 -18.008 1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.117 -17.597 0.117 1.00 0.00 H new ATOM 0 HE ARG A 12 8.559 -18.464 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.357 -17.881 1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.829 -18.661 0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.461 -19.475 -2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.888 -19.566 -1.246 1.00 0.00 H new ATOM 224 N THR A 13 5.920 -12.682 0.535 1.00 0.00 N ATOM 225 CA THR A 13 5.032 -11.978 -0.375 1.00 0.00 C ATOM 226 C THR A 13 4.611 -10.634 0.223 1.00 0.00 C ATOM 227 O THR A 13 3.954 -10.591 1.262 1.00 0.00 O ATOM 228 CB THR A 13 3.851 -12.898 -0.690 1.00 0.00 C ATOM 229 OG1 THR A 13 4.452 -14.038 -1.300 1.00 0.00 O ATOM 230 CG2 THR A 13 2.940 -12.330 -1.780 1.00 0.00 C ATOM 0 H THR A 13 5.519 -12.884 1.451 1.00 0.00 H new ATOM 0 HA THR A 13 5.536 -11.739 -1.312 1.00 0.00 H new ATOM 0 HB THR A 13 3.270 -13.066 0.217 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.757 -14.688 -1.535 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.118 -13.022 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.539 -11.370 -1.455 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.512 -12.193 -2.698 1.00 0.00 H new ATOM 238 N ILE A 14 5.008 -9.569 -0.458 1.00 0.00 N ATOM 239 CA ILE A 14 4.681 -8.227 -0.007 1.00 0.00 C ATOM 240 C ILE A 14 3.555 -7.662 -0.876 1.00 0.00 C ATOM 241 O ILE A 14 3.674 -7.617 -2.100 1.00 0.00 O ATOM 242 CB ILE A 14 5.934 -7.351 0.022 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.149 -8.147 0.502 1.00 0.00 C ATOM 244 CG2 ILE A 14 5.705 -6.093 0.862 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.037 -8.472 1.993 1.00 0.00 C ATOM 0 H ILE A 14 5.553 -9.608 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 14 4.312 -8.249 1.019 1.00 0.00 H new ATOM 0 HB ILE A 14 6.145 -7.024 -0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.232 -9.071 -0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.059 -7.575 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.612 -5.488 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.885 -5.515 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.455 -6.378 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.913 -9.038 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.979 -7.545 2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.139 -9.064 2.170 1.00 0.00 H new ATOM 257 N SER A 15 2.489 -7.244 -0.210 1.00 0.00 N ATOM 258 CA SER A 15 1.343 -6.684 -0.906 1.00 0.00 C ATOM 259 C SER A 15 1.439 -5.157 -0.926 1.00 0.00 C ATOM 260 O SER A 15 1.127 -4.499 0.065 1.00 0.00 O ATOM 261 CB SER A 15 0.032 -7.125 -0.252 1.00 0.00 C ATOM 262 OG SER A 15 -0.751 -7.937 -1.122 1.00 0.00 O ATOM 0 H SER A 15 2.395 -7.282 0.805 1.00 0.00 H new ATOM 0 HA SER A 15 1.349 -7.056 -1.931 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.251 -7.678 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.543 -6.245 0.038 1.00 0.00 H new ATOM 0 HG SER A 15 -1.579 -8.199 -0.668 1.00 0.00 H new ATOM 268 N LEU A 16 1.872 -4.639 -2.066 1.00 0.00 N ATOM 269 CA LEU A 16 2.013 -3.202 -2.229 1.00 0.00 C ATOM 270 C LEU A 16 0.983 -2.704 -3.245 1.00 0.00 C ATOM 271 O LEU A 16 0.992 -3.125 -4.401 1.00 0.00 O ATOM 272 CB LEU A 16 3.455 -2.842 -2.589 1.00 0.00 C ATOM 273 CG LEU A 16 3.746 -1.353 -2.789 1.00 0.00 C ATOM 274 CD1 LEU A 16 2.658 -0.691 -3.636 1.00 0.00 C ATOM 275 CD2 LEU A 16 3.935 -0.646 -1.445 1.00 0.00 C ATOM 0 H LEU A 16 2.130 -5.189 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 16 1.807 -2.691 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.109 -3.217 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.722 -3.370 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 16 4.683 -1.259 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.889 0.367 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.614 -1.173 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.695 -0.795 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.141 0.411 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.028 -0.748 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.772 -1.097 -0.911 1.00 0.00 H new ATOM 287 N PHE A 17 0.118 -1.815 -2.777 1.00 0.00 N ATOM 288 CA PHE A 17 -0.916 -1.257 -3.631 1.00 0.00 C ATOM 289 C PHE A 17 -0.503 0.116 -4.166 1.00 0.00 C ATOM 290 O PHE A 17 0.325 0.798 -3.564 1.00 0.00 O ATOM 291 CB PHE A 17 -2.170 -1.098 -2.769 1.00 0.00 C ATOM 292 CG PHE A 17 -2.445 -2.287 -1.846 1.00 0.00 C ATOM 293 CD1 PHE A 17 -1.881 -3.496 -2.108 1.00 0.00 C ATOM 294 CD2 PHE A 17 -3.253 -2.134 -0.762 1.00 0.00 C ATOM 295 CE1 PHE A 17 -2.136 -4.599 -1.251 1.00 0.00 C ATOM 296 CE2 PHE A 17 -3.508 -3.237 0.094 1.00 0.00 C ATOM 297 CZ PHE A 17 -2.944 -4.446 -0.168 1.00 0.00 C ATOM 0 H PHE A 17 0.113 -1.468 -1.818 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.088 -1.913 -4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.071 -0.197 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.031 -0.951 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.239 -3.617 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.700 -1.173 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.688 -5.559 -1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.150 -3.116 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.138 -5.285 0.484 1.00 0.00 H new ATOM 307 N THR A 18 -1.097 0.480 -5.293 1.00 0.00 N ATOM 308 CA THR A 18 -0.801 1.758 -5.917 1.00 0.00 C ATOM 309 C THR A 18 -1.885 2.782 -5.573 1.00 0.00 C ATOM 310 O THR A 18 -3.071 2.457 -5.562 1.00 0.00 O ATOM 311 CB THR A 18 -0.640 1.525 -7.420 1.00 0.00 C ATOM 312 OG1 THR A 18 0.751 1.263 -7.584 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.879 2.795 -8.239 1.00 0.00 C ATOM 0 H THR A 18 -1.782 -0.089 -5.790 1.00 0.00 H new ATOM 0 HA THR A 18 0.131 2.177 -5.538 1.00 0.00 H new ATOM 0 HB THR A 18 -1.334 0.749 -7.743 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.870 0.445 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.752 2.574 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.892 3.157 -8.062 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.163 3.561 -7.940 1.00 0.00 H new ATOM 321 N ASN A 19 -1.438 4.000 -5.302 1.00 0.00 N ATOM 322 CA ASN A 19 -2.355 5.074 -4.959 1.00 0.00 C ATOM 323 C ASN A 19 -1.903 6.363 -5.648 1.00 0.00 C ATOM 324 O ASN A 19 -1.950 7.439 -5.053 1.00 0.00 O ATOM 325 CB ASN A 19 -2.369 5.325 -3.450 1.00 0.00 C ATOM 326 CG ASN A 19 -3.793 5.250 -2.895 1.00 0.00 C ATOM 327 OD1 ASN A 19 -4.726 4.835 -3.563 1.00 0.00 O ATOM 328 ND2 ASN A 19 -3.908 5.674 -1.640 1.00 0.00 N ATOM 0 H ASN A 19 -0.454 4.267 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.353 4.783 -5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.740 4.589 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.943 6.305 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.818 5.664 -1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.086 6.009 -1.138 1.00 0.00 H new ATOM 335 N ASP A 20 -1.476 6.213 -6.893 1.00 0.00 N ATOM 336 CA ASP A 20 -1.017 7.352 -7.670 1.00 0.00 C ATOM 337 C ASP A 20 0.086 8.079 -6.897 1.00 0.00 C ATOM 338 O ASP A 20 0.038 8.162 -5.671 1.00 0.00 O ATOM 339 CB ASP A 20 -2.154 8.344 -7.917 1.00 0.00 C ATOM 340 CG ASP A 20 -1.745 9.629 -8.640 1.00 0.00 C ATOM 341 OD1 ASP A 20 -0.675 10.167 -8.280 1.00 0.00 O ATOM 342 OD2 ASP A 20 -2.512 10.045 -9.535 1.00 0.00 O ATOM 0 H ASP A 20 -1.438 5.319 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.648 6.982 -8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.929 7.847 -8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.599 8.610 -6.958 1.00 0.00 H new ATOM 347 N ILE A 21 1.053 8.587 -7.647 1.00 0.00 N ATOM 348 CA ILE A 21 2.166 9.304 -7.048 1.00 0.00 C ATOM 349 C ILE A 21 2.687 10.347 -8.039 1.00 0.00 C ATOM 350 O ILE A 21 2.593 11.548 -7.789 1.00 0.00 O ATOM 351 CB ILE A 21 3.237 8.324 -6.566 1.00 0.00 C ATOM 352 CG1 ILE A 21 2.709 6.888 -6.570 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.776 8.733 -5.194 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.958 6.216 -7.921 1.00 0.00 C ATOM 0 H ILE A 21 1.089 8.516 -8.664 1.00 0.00 H new ATOM 0 HA ILE A 21 1.838 9.844 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 21 4.073 8.361 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.195 6.316 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.641 6.889 -6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.536 8.020 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.216 9.728 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.960 8.743 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.573 5.196 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.450 6.777 -8.706 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.029 6.195 -8.125 1.00 0.00 H new ATOM 366 N ALA A 22 3.225 9.850 -9.143 1.00 0.00 N ATOM 367 CA ALA A 22 3.762 10.724 -10.172 1.00 0.00 C ATOM 368 C ALA A 22 3.478 10.118 -11.548 1.00 0.00 C ATOM 369 O ALA A 22 2.435 9.500 -11.755 1.00 0.00 O ATOM 370 CB ALA A 22 5.256 10.943 -9.929 1.00 0.00 C ATOM 0 H ALA A 22 3.301 8.854 -9.347 1.00 0.00 H new ATOM 0 HA ALA A 22 3.280 11.701 -10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.658 11.599 -10.701 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.402 11.402 -8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.774 9.985 -9.961 1.00 0.00 H new ATOM 376 N SER A 23 4.424 10.317 -12.454 1.00 0.00 N ATOM 377 CA SER A 23 4.289 9.798 -13.804 1.00 0.00 C ATOM 378 C SER A 23 3.457 8.514 -13.790 1.00 0.00 C ATOM 379 O SER A 23 2.255 8.547 -14.046 1.00 0.00 O ATOM 380 CB SER A 23 5.659 9.537 -14.434 1.00 0.00 C ATOM 381 OG SER A 23 5.968 10.483 -15.453 1.00 0.00 O ATOM 0 H SER A 23 5.288 10.831 -12.279 1.00 0.00 H new ATOM 0 HA SER A 23 3.779 10.547 -14.409 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.426 9.574 -13.661 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.679 8.532 -14.855 1.00 0.00 H new ATOM 0 HG SER A 23 6.851 10.283 -15.828 1.00 0.00 H new ATOM 387 N ASN A 24 4.131 7.414 -13.489 1.00 0.00 N ATOM 388 CA ASN A 24 3.469 6.121 -13.439 1.00 0.00 C ATOM 389 C ASN A 24 2.833 5.933 -12.061 1.00 0.00 C ATOM 390 O ASN A 24 3.519 5.598 -11.096 1.00 0.00 O ATOM 391 CB ASN A 24 4.467 4.983 -13.659 1.00 0.00 C ATOM 392 CG ASN A 24 4.345 4.412 -15.073 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.895 4.933 -16.030 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.596 3.316 -15.152 1.00 0.00 N ATOM 0 H ASN A 24 5.129 7.391 -13.277 1.00 0.00 H new ATOM 0 HA ASN A 24 2.715 6.096 -14.226 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.481 5.348 -13.497 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.291 4.194 -12.928 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.453 2.860 -16.053 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.164 2.932 -14.312 1.00 0.00 H new ATOM 401 N ILE A 25 1.527 6.156 -12.011 1.00 0.00 N ATOM 402 CA ILE A 25 0.791 6.014 -10.767 1.00 0.00 C ATOM 403 C ILE A 25 1.141 4.672 -10.121 1.00 0.00 C ATOM 404 O ILE A 25 1.318 4.591 -8.907 1.00 0.00 O ATOM 405 CB ILE A 25 -0.708 6.209 -11.007 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.072 7.695 -11.024 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.533 5.428 -9.981 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.448 8.398 -12.230 1.00 0.00 C ATOM 0 H ILE A 25 0.961 6.434 -12.812 1.00 0.00 H new ATOM 0 HA ILE A 25 1.082 6.792 -10.061 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.952 5.807 -11.990 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.156 7.807 -11.054 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.728 8.168 -10.104 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.595 5.583 -10.173 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.301 4.366 -10.060 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.291 5.778 -8.977 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.722 9.453 -12.218 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.637 8.305 -12.184 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.813 7.938 -13.148 1.00 0.00 H new ATOM 420 N LYS A 26 1.231 3.653 -10.963 1.00 0.00 N ATOM 421 CA LYS A 26 1.558 2.318 -10.489 1.00 0.00 C ATOM 422 C LYS A 26 3.073 2.200 -10.317 1.00 0.00 C ATOM 423 O LYS A 26 3.556 1.900 -9.226 1.00 0.00 O ATOM 424 CB LYS A 26 0.959 1.259 -11.417 1.00 0.00 C ATOM 425 CG LYS A 26 1.001 1.721 -12.875 1.00 0.00 C ATOM 426 CD LYS A 26 -0.312 2.398 -13.273 1.00 0.00 C ATOM 427 CE LYS A 26 -0.049 3.724 -13.991 1.00 0.00 C ATOM 428 NZ LYS A 26 -0.544 3.665 -15.385 1.00 0.00 N ATOM 0 H LYS A 26 1.083 3.724 -11.970 1.00 0.00 H new ATOM 0 HA LYS A 26 1.111 2.140 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.510 0.324 -11.312 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.072 1.056 -11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.830 2.415 -13.017 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.186 0.866 -13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.885 1.736 -13.922 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.918 2.575 -12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.542 4.537 -13.458 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.019 3.941 -13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.358 4.572 -15.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.055 2.902 -15.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.567 3.479 -15.382 1.00 0.00 H new ATOM 442 N SER A 27 3.782 2.440 -11.411 1.00 0.00 N ATOM 443 CA SER A 27 5.233 2.363 -11.394 1.00 0.00 C ATOM 444 C SER A 27 5.793 3.277 -10.302 1.00 0.00 C ATOM 445 O SER A 27 6.385 2.802 -9.335 1.00 0.00 O ATOM 446 CB SER A 27 5.819 2.742 -12.755 1.00 0.00 C ATOM 447 OG SER A 27 6.888 1.880 -13.135 1.00 0.00 O ATOM 0 H SER A 27 3.378 2.688 -12.314 1.00 0.00 H new ATOM 0 HA SER A 27 5.519 1.333 -11.179 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.035 2.702 -13.511 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.177 3.771 -12.722 1.00 0.00 H new ATOM 0 HG SER A 27 7.234 2.154 -14.010 1.00 0.00 H new ATOM 453 N GLN A 28 5.585 4.571 -10.494 1.00 0.00 N ATOM 454 CA GLN A 28 6.062 5.556 -9.537 1.00 0.00 C ATOM 455 C GLN A 28 5.802 5.075 -8.108 1.00 0.00 C ATOM 456 O GLN A 28 6.606 5.324 -7.210 1.00 0.00 O ATOM 457 CB GLN A 28 5.413 6.919 -9.784 1.00 0.00 C ATOM 458 CG GLN A 28 5.767 7.905 -8.668 1.00 0.00 C ATOM 459 CD GLN A 28 7.249 8.282 -8.720 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.721 8.923 -9.645 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.954 7.850 -7.679 1.00 0.00 N ATOM 0 H GLN A 28 5.093 4.961 -11.298 1.00 0.00 H new ATOM 0 HA GLN A 28 7.137 5.674 -9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.745 7.316 -10.743 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.331 6.805 -9.844 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.156 8.803 -8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.534 7.463 -7.699 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.496 7.318 -6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.952 8.050 -7.621 1.00 0.00 H new ATOM 470 N LYS A 29 4.677 4.396 -7.941 1.00 0.00 N ATOM 471 CA LYS A 29 4.301 3.879 -6.636 1.00 0.00 C ATOM 472 C LYS A 29 5.489 3.131 -6.027 1.00 0.00 C ATOM 473 O LYS A 29 6.237 3.692 -5.229 1.00 0.00 O ATOM 474 CB LYS A 29 3.030 3.034 -6.740 1.00 0.00 C ATOM 475 CG LYS A 29 2.967 1.998 -5.616 1.00 0.00 C ATOM 476 CD LYS A 29 3.329 2.627 -4.269 1.00 0.00 C ATOM 477 CE LYS A 29 4.519 1.908 -3.630 1.00 0.00 C ATOM 478 NZ LYS A 29 5.483 2.888 -3.082 1.00 0.00 N ATOM 0 H LYS A 29 4.013 4.192 -8.688 1.00 0.00 H new ATOM 0 HA LYS A 29 4.057 4.697 -5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.154 3.681 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.002 2.530 -7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.965 1.572 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.651 1.178 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.569 3.681 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.470 2.581 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.169 1.249 -2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.012 1.279 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.385 2.811 -3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.102 3.849 -3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.640 2.693 -2.073 1.00 0.00 H new ATOM 492 N CYS A 30 5.625 1.876 -6.429 1.00 0.00 N ATOM 493 CA CYS A 30 6.709 1.045 -5.933 1.00 0.00 C ATOM 494 C CYS A 30 7.861 1.107 -6.938 1.00 0.00 C ATOM 495 O CYS A 30 8.989 1.435 -6.575 1.00 0.00 O ATOM 496 CB CYS A 30 6.250 -0.392 -5.680 1.00 0.00 C ATOM 497 SG CYS A 30 7.195 -1.115 -4.289 1.00 0.00 S ATOM 0 H CYS A 30 5.003 1.414 -7.092 1.00 0.00 H new ATOM 0 HA CYS A 30 7.048 1.424 -4.969 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.184 -0.407 -5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.393 -0.992 -6.579 1.00 0.00 H new ATOM 0 HG CYS A 30 6.838 -0.542 -3.178 1.00 0.00 H new ATOM 503 N LEU A 31 7.535 0.789 -8.183 1.00 0.00 N ATOM 504 CA LEU A 31 8.528 0.804 -9.243 1.00 0.00 C ATOM 505 C LEU A 31 9.569 1.886 -8.946 1.00 0.00 C ATOM 506 O LEU A 31 10.770 1.647 -9.064 1.00 0.00 O ATOM 507 CB LEU A 31 7.853 0.959 -10.607 1.00 0.00 C ATOM 508 CG LEU A 31 7.208 -0.303 -11.184 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.269 -1.341 -11.554 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.161 -0.871 -10.223 1.00 0.00 C ATOM 0 H LEU A 31 6.597 0.520 -8.481 1.00 0.00 H new ATOM 0 HA LEU A 31 9.058 -0.148 -9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.087 1.730 -10.525 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.595 1.321 -11.318 1.00 0.00 H new ATOM 0 HG LEU A 31 6.689 -0.032 -12.103 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.784 -2.228 -11.962 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.944 -0.921 -12.300 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.836 -1.614 -10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.718 -1.767 -10.657 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.636 -1.123 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.383 -0.127 -10.052 1.00 0.00 H new ATOM 522 N GLN A 32 9.070 3.053 -8.565 1.00 0.00 N ATOM 523 CA GLN A 32 9.942 4.172 -8.250 1.00 0.00 C ATOM 524 C GLN A 32 10.559 3.990 -6.862 1.00 0.00 C ATOM 525 O GLN A 32 11.762 4.174 -6.685 1.00 0.00 O ATOM 526 CB GLN A 32 9.185 5.499 -8.343 1.00 0.00 C ATOM 527 CG GLN A 32 9.304 6.101 -9.745 1.00 0.00 C ATOM 528 CD GLN A 32 10.752 6.485 -10.056 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.347 6.037 -11.022 1.00 0.00 O ATOM 530 NE2 GLN A 32 11.284 7.338 -9.185 1.00 0.00 N ATOM 0 H GLN A 32 8.074 3.248 -8.467 1.00 0.00 H new ATOM 0 HA GLN A 32 10.748 4.198 -8.984 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.134 5.340 -8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.580 6.200 -7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.948 5.384 -10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.666 6.981 -9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.730 7.674 -8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.246 7.656 -9.305 1.00 0.00 H new ATOM 539 N LEU A 33 9.708 3.629 -5.913 1.00 0.00 N ATOM 540 CA LEU A 33 10.155 3.419 -4.547 1.00 0.00 C ATOM 541 C LEU A 33 11.348 2.461 -4.547 1.00 0.00 C ATOM 542 O LEU A 33 12.391 2.763 -3.968 1.00 0.00 O ATOM 543 CB LEU A 33 8.992 2.954 -3.668 1.00 0.00 C ATOM 544 CG LEU A 33 9.375 2.332 -2.324 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.474 3.144 -1.637 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.145 2.160 -1.429 1.00 0.00 C ATOM 0 H LEU A 33 8.711 3.477 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 33 10.499 4.357 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.342 3.808 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.407 2.226 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 33 9.779 1.337 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.727 2.680 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.358 3.171 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.121 4.160 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.445 1.716 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.689 3.133 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.424 1.508 -1.923 1.00 0.00 H new ATOM 558 N LEU A 34 11.155 1.326 -5.202 1.00 0.00 N ATOM 559 CA LEU A 34 12.202 0.322 -5.284 1.00 0.00 C ATOM 560 C LEU A 34 13.407 0.908 -6.021 1.00 0.00 C ATOM 561 O LEU A 34 14.546 0.522 -5.762 1.00 0.00 O ATOM 562 CB LEU A 34 11.662 -0.964 -5.913 1.00 0.00 C ATOM 563 CG LEU A 34 10.196 -1.290 -5.622 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.358 -1.238 -6.901 1.00 0.00 C ATOM 565 CD2 LEU A 34 10.064 -2.635 -4.905 1.00 0.00 C ATOM 0 H LEU A 34 10.289 1.079 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 34 12.542 0.043 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.791 -0.898 -6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.274 -1.798 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 34 9.805 -0.527 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.320 -1.474 -6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.414 -0.239 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.742 -1.965 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.012 -2.842 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.479 -3.424 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.607 -2.599 -3.961 1.00 0.00 H new ATOM 577 N LYS A 35 13.116 1.832 -6.925 1.00 0.00 N ATOM 578 CA LYS A 35 14.162 2.475 -7.702 1.00 0.00 C ATOM 579 C LYS A 35 15.041 3.313 -6.770 1.00 0.00 C ATOM 580 O LYS A 35 15.996 3.947 -7.216 1.00 0.00 O ATOM 581 CB LYS A 35 13.557 3.273 -8.859 1.00 0.00 C ATOM 582 CG LYS A 35 14.475 3.247 -10.082 1.00 0.00 C ATOM 583 CD LYS A 35 13.785 3.867 -11.299 1.00 0.00 C ATOM 584 CE LYS A 35 14.783 4.103 -12.434 1.00 0.00 C ATOM 585 NZ LYS A 35 15.311 5.484 -12.381 1.00 0.00 N ATOM 0 H LYS A 35 12.171 2.151 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 35 14.807 1.728 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.584 2.858 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.391 4.304 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.393 3.792 -9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.760 2.219 -10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.987 3.210 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.320 4.812 -11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.604 3.390 -12.358 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.298 3.929 -13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.987 5.627 -13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.526 6.160 -12.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.792 5.637 -11.472 1.00 0.00 H new ATOM 599 N GLY A 36 14.686 3.288 -5.494 1.00 0.00 N ATOM 600 CA GLY A 36 15.431 4.037 -4.496 1.00 0.00 C ATOM 601 C GLY A 36 16.621 3.227 -3.978 1.00 0.00 C ATOM 602 O GLY A 36 17.732 3.355 -4.488 1.00 0.00 O ATOM 0 H GLY A 36 13.893 2.761 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.784 4.973 -4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.774 4.297 -3.666 1.00 0.00 H new ATOM 606 N ASP A 37 16.347 2.412 -2.970 1.00 0.00 N ATOM 607 CA ASP A 37 17.381 1.582 -2.376 1.00 0.00 C ATOM 608 C ASP A 37 17.801 0.504 -3.378 1.00 0.00 C ATOM 609 O ASP A 37 17.662 0.687 -4.587 1.00 0.00 O ATOM 610 CB ASP A 37 16.869 0.881 -1.116 1.00 0.00 C ATOM 611 CG ASP A 37 17.891 0.760 0.016 1.00 0.00 C ATOM 612 OD1 ASP A 37 18.454 1.813 0.388 1.00 0.00 O ATOM 613 OD2 ASP A 37 18.087 -0.382 0.485 1.00 0.00 O ATOM 0 H ASP A 37 15.423 2.309 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 37 18.221 2.225 -2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.000 1.423 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.529 -0.119 -1.387 1.00 0.00 H new ATOM 618 N VAL A 38 18.306 -0.596 -2.839 1.00 0.00 N ATOM 619 CA VAL A 38 18.747 -1.702 -3.671 1.00 0.00 C ATOM 620 C VAL A 38 18.753 -2.988 -2.841 1.00 0.00 C ATOM 621 O VAL A 38 19.030 -2.956 -1.643 1.00 0.00 O ATOM 622 CB VAL A 38 20.111 -1.383 -4.287 1.00 0.00 C ATOM 623 CG1 VAL A 38 20.946 -2.653 -4.458 1.00 0.00 C ATOM 624 CG2 VAL A 38 19.951 -0.647 -5.619 1.00 0.00 C ATOM 0 H VAL A 38 18.419 -0.745 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 38 18.057 -1.853 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 38 20.643 -0.723 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.910 -2.398 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.103 -3.119 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.421 -3.348 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.935 -0.432 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.390 -1.271 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.414 0.287 -5.456 1.00 0.00 H new ATOM 634 N SER A 39 18.443 -4.088 -3.510 1.00 0.00 N ATOM 635 CA SER A 39 18.408 -5.382 -2.850 1.00 0.00 C ATOM 636 C SER A 39 17.447 -6.319 -3.583 1.00 0.00 C ATOM 637 O SER A 39 16.922 -5.972 -4.640 1.00 0.00 O ATOM 638 CB SER A 39 17.996 -5.240 -1.383 1.00 0.00 C ATOM 639 OG SER A 39 19.120 -5.036 -0.530 1.00 0.00 O ATOM 0 H SER A 39 18.213 -4.110 -4.504 1.00 0.00 H new ATOM 0 HA SER A 39 19.411 -5.808 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.306 -4.403 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.460 -6.136 -1.069 1.00 0.00 H new ATOM 0 HG SER A 39 19.558 -4.191 -0.762 1.00 0.00 H new ATOM 645 N HIS A 40 17.245 -7.488 -2.993 1.00 0.00 N ATOM 646 CA HIS A 40 16.355 -8.477 -3.577 1.00 0.00 C ATOM 647 C HIS A 40 16.302 -9.714 -2.678 1.00 0.00 C ATOM 648 O HIS A 40 17.181 -9.916 -1.842 1.00 0.00 O ATOM 649 CB HIS A 40 16.775 -8.805 -5.012 1.00 0.00 C ATOM 650 CG HIS A 40 16.361 -10.182 -5.473 1.00 0.00 C ATOM 651 ND1 HIS A 40 15.091 -10.464 -5.946 1.00 0.00 N ATOM 652 CD2 HIS A 40 17.062 -11.351 -5.530 1.00 0.00 C ATOM 653 CE1 HIS A 40 15.041 -11.748 -6.269 1.00 0.00 C ATOM 654 NE2 HIS A 40 16.263 -12.296 -6.010 1.00 0.00 N ATOM 0 H HIS A 40 17.682 -7.772 -2.117 1.00 0.00 H new ATOM 0 HA HIS A 40 15.345 -8.072 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 40 16.344 -8.063 -5.684 1.00 0.00 H new ATOM 0 HB3 HIS A 40 17.858 -8.717 -5.092 1.00 0.00 H new ATOM 0 HD2 HIS A 40 18.092 -11.485 -5.235 1.00 0.00 H new ATOM 0 HE1 HIS A 40 14.183 -12.269 -6.667 1.00 0.00 H new ATOM 0 HE2 HIS A 40 16.520 -13.271 -6.160 1.00 0.00 H new ATOM 662 N ARG A 41 15.262 -10.509 -2.881 1.00 0.00 N ATOM 663 CA ARG A 41 15.083 -11.720 -2.099 1.00 0.00 C ATOM 664 C ARG A 41 13.612 -12.142 -2.103 1.00 0.00 C ATOM 665 O ARG A 41 13.293 -13.300 -1.839 1.00 0.00 O ATOM 666 CB ARG A 41 15.544 -11.517 -0.654 1.00 0.00 C ATOM 667 CG ARG A 41 14.979 -10.217 -0.077 1.00 0.00 C ATOM 668 CD ARG A 41 14.819 -10.316 1.442 1.00 0.00 C ATOM 669 NE ARG A 41 15.987 -11.008 2.030 1.00 0.00 N ATOM 670 CZ ARG A 41 15.958 -11.677 3.191 1.00 0.00 C ATOM 671 NH1 ARG A 41 14.820 -11.749 3.894 1.00 0.00 N ATOM 672 NH2 ARG A 41 17.068 -12.273 3.648 1.00 0.00 N ATOM 0 H ARG A 41 14.535 -10.338 -3.576 1.00 0.00 H new ATOM 0 HA ARG A 41 15.690 -12.502 -2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.222 -12.361 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.633 -11.493 -0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.642 -9.387 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.014 -10.001 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.723 -9.319 1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.905 -10.858 1.685 1.00 0.00 H new ATOM 0 HE ARG A 41 16.870 -10.974 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.976 -11.295 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.798 -12.258 4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.934 -12.217 3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.047 -12.782 4.532 1.00 0.00 H new ATOM 686 N PHE A 42 12.754 -11.178 -2.406 1.00 0.00 N ATOM 687 CA PHE A 42 11.324 -11.435 -2.448 1.00 0.00 C ATOM 688 C PHE A 42 10.688 -10.794 -3.683 1.00 0.00 C ATOM 689 O PHE A 42 11.343 -10.043 -4.404 1.00 0.00 O ATOM 690 CB PHE A 42 10.720 -10.804 -1.192 1.00 0.00 C ATOM 691 CG PHE A 42 10.127 -9.412 -1.418 1.00 0.00 C ATOM 692 CD1 PHE A 42 10.915 -8.310 -1.301 1.00 0.00 C ATOM 693 CD2 PHE A 42 8.812 -9.277 -1.737 1.00 0.00 C ATOM 694 CE1 PHE A 42 10.365 -7.018 -1.511 1.00 0.00 C ATOM 695 CE2 PHE A 42 8.261 -7.985 -1.947 1.00 0.00 C ATOM 696 CZ PHE A 42 9.049 -6.883 -1.830 1.00 0.00 C ATOM 0 H PHE A 42 13.022 -10.218 -2.625 1.00 0.00 H new ATOM 0 HA PHE A 42 11.140 -12.508 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.941 -11.461 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.491 -10.739 -0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 42 11.959 -8.418 -1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.187 -10.152 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 42 10.991 -6.143 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.216 -7.878 -2.200 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.630 -5.900 -1.990 1.00 0.00 H new ATOM 706 N ASP A 43 9.419 -11.114 -3.889 1.00 0.00 N ATOM 707 CA ASP A 43 8.687 -10.579 -5.024 1.00 0.00 C ATOM 708 C ASP A 43 7.848 -9.384 -4.567 1.00 0.00 C ATOM 709 O ASP A 43 7.092 -9.484 -3.603 1.00 0.00 O ATOM 710 CB ASP A 43 7.739 -11.626 -5.611 1.00 0.00 C ATOM 711 CG ASP A 43 8.225 -12.288 -6.902 1.00 0.00 C ATOM 712 OD1 ASP A 43 9.329 -12.872 -6.859 1.00 0.00 O ATOM 713 OD2 ASP A 43 7.481 -12.195 -7.902 1.00 0.00 O ATOM 0 H ASP A 43 8.879 -11.737 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 43 9.411 -10.283 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.571 -12.402 -4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.775 -11.154 -5.803 1.00 0.00 H new ATOM 718 N VAL A 44 8.011 -8.280 -5.282 1.00 0.00 N ATOM 719 CA VAL A 44 7.278 -7.067 -4.962 1.00 0.00 C ATOM 720 C VAL A 44 5.951 -7.062 -5.723 1.00 0.00 C ATOM 721 O VAL A 44 5.910 -7.385 -6.910 1.00 0.00 O ATOM 722 CB VAL A 44 8.142 -5.840 -5.259 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.441 -4.555 -4.812 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.519 -5.968 -4.606 1.00 0.00 C ATOM 0 H VAL A 44 8.640 -8.200 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 44 7.043 -7.033 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 44 8.287 -5.785 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.076 -3.698 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.495 -4.453 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.252 -4.598 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.113 -5.083 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.402 -6.060 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.024 -6.853 -4.993 1.00 0.00 H new ATOM 734 N GLU A 45 4.897 -6.692 -5.010 1.00 0.00 N ATOM 735 CA GLU A 45 3.572 -6.641 -5.604 1.00 0.00 C ATOM 736 C GLU A 45 3.129 -5.189 -5.790 1.00 0.00 C ATOM 737 O GLU A 45 2.841 -4.494 -4.817 1.00 0.00 O ATOM 738 CB GLU A 45 2.562 -7.418 -4.757 1.00 0.00 C ATOM 739 CG GLU A 45 1.965 -8.584 -5.548 1.00 0.00 C ATOM 740 CD GLU A 45 1.283 -8.089 -6.825 1.00 0.00 C ATOM 741 OE1 GLU A 45 0.358 -7.259 -6.689 1.00 0.00 O ATOM 742 OE2 GLU A 45 1.702 -8.551 -7.908 1.00 0.00 O ATOM 0 H GLU A 45 4.934 -6.425 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 45 3.616 -7.115 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.050 -7.795 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.765 -6.750 -4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.751 -9.295 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.243 -9.116 -4.929 1.00 0.00 H new ATOM 749 N ILE A 46 3.089 -4.772 -7.047 1.00 0.00 N ATOM 750 CA ILE A 46 2.687 -3.415 -7.374 1.00 0.00 C ATOM 751 C ILE A 46 1.386 -3.453 -8.178 1.00 0.00 C ATOM 752 O ILE A 46 1.405 -3.689 -9.386 1.00 0.00 O ATOM 753 CB ILE A 46 3.824 -2.673 -8.078 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.176 -3.017 -7.448 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.567 -1.165 -8.096 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.573 -4.462 -7.757 1.00 0.00 C ATOM 0 H ILE A 46 3.329 -5.351 -7.852 1.00 0.00 H new ATOM 0 HA ILE A 46 2.484 -2.849 -6.465 1.00 0.00 H new ATOM 0 HB ILE A 46 3.858 -3.006 -9.115 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.940 -2.338 -7.825 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.126 -2.873 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.391 -0.662 -8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.636 -0.961 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.491 -0.797 -7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.537 -4.681 -7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.819 -5.140 -7.357 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.646 -4.596 -8.836 1.00 0.00 H new ATOM 768 N ALA A 47 0.287 -3.217 -7.478 1.00 0.00 N ATOM 769 CA ALA A 47 -1.021 -3.221 -8.112 1.00 0.00 C ATOM 770 C ALA A 47 -1.903 -2.155 -7.459 1.00 0.00 C ATOM 771 O ALA A 47 -1.968 -2.063 -6.234 1.00 0.00 O ATOM 772 CB ALA A 47 -1.630 -4.621 -8.016 1.00 0.00 C ATOM 0 H ALA A 47 0.275 -3.022 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.936 -2.974 -9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.611 -4.624 -8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.980 -5.336 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.734 -4.902 -6.968 1.00 0.00 H new ATOM 778 N ASN A 48 -2.560 -1.376 -8.306 1.00 0.00 N ATOM 779 CA ASN A 48 -3.435 -0.320 -7.827 1.00 0.00 C ATOM 780 C ASN A 48 -4.830 -0.897 -7.572 1.00 0.00 C ATOM 781 O ASN A 48 -5.448 -1.457 -8.475 1.00 0.00 O ATOM 782 CB ASN A 48 -3.568 0.798 -8.863 1.00 0.00 C ATOM 783 CG ASN A 48 -3.458 0.243 -10.285 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.221 -0.610 -10.707 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.469 0.775 -10.997 1.00 0.00 N ATOM 0 H ASN A 48 -2.504 -1.455 -9.321 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.004 0.086 -6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.526 1.302 -8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.791 1.545 -8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.313 0.472 -11.958 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.867 1.486 -10.582 1.00 0.00 H new ATOM 792 N ARG A 49 -5.283 -0.738 -6.337 1.00 0.00 N ATOM 793 CA ARG A 49 -6.593 -1.236 -5.951 1.00 0.00 C ATOM 794 C ARG A 49 -7.106 -0.482 -4.722 1.00 0.00 C ATOM 795 O ARG A 49 -6.321 0.086 -3.966 1.00 0.00 O ATOM 796 CB ARG A 49 -6.543 -2.733 -5.639 1.00 0.00 C ATOM 797 CG ARG A 49 -5.694 -3.006 -4.396 1.00 0.00 C ATOM 798 CD ARG A 49 -6.471 -3.838 -3.373 1.00 0.00 C ATOM 799 NE ARG A 49 -6.030 -5.249 -3.429 1.00 0.00 N ATOM 800 CZ ARG A 49 -6.778 -6.286 -3.028 1.00 0.00 C ATOM 801 NH1 ARG A 49 -8.007 -6.076 -2.539 1.00 0.00 N ATOM 802 NH2 ARG A 49 -6.296 -7.534 -3.116 1.00 0.00 N ATOM 0 H ARG A 49 -4.767 -0.272 -5.591 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.270 -1.074 -6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.554 -3.110 -5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.130 -3.272 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.783 -3.532 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.388 -2.062 -3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.313 -3.438 -2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.540 -3.774 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.099 -5.445 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.374 -5.127 -2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.576 -6.865 -2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.360 -7.694 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.865 -8.323 -2.811 1.00 0.00 H new ATOM 816 N PHE A 50 -8.421 -0.503 -4.562 1.00 0.00 N ATOM 817 CA PHE A 50 -9.049 0.172 -3.439 1.00 0.00 C ATOM 818 C PHE A 50 -8.727 -0.540 -2.123 1.00 0.00 C ATOM 819 O PHE A 50 -8.921 -1.749 -2.004 1.00 0.00 O ATOM 820 CB PHE A 50 -10.560 0.123 -3.675 1.00 0.00 C ATOM 821 CG PHE A 50 -11.168 -1.273 -3.532 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.399 -2.375 -3.747 1.00 0.00 C ATOM 823 CD2 PHE A 50 -12.476 -1.414 -3.189 1.00 0.00 C ATOM 824 CE1 PHE A 50 -10.964 -3.671 -3.614 1.00 0.00 C ATOM 825 CE2 PHE A 50 -13.040 -2.710 -3.055 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.272 -3.811 -3.271 1.00 0.00 C ATOM 0 H PHE A 50 -9.069 -0.977 -5.191 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.682 1.196 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.049 0.795 -2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.773 0.500 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.360 -2.264 -4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -13.086 -0.540 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.354 -4.546 -3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.079 -2.821 -2.782 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.701 -4.797 -3.170 1.00 0.00 H new ATOM 836 N PRO A 51 -8.229 0.261 -1.143 1.00 0.00 N ATOM 837 CA PRO A 51 -7.879 -0.280 0.159 1.00 0.00 C ATOM 838 C PRO A 51 -9.133 -0.571 0.987 1.00 0.00 C ATOM 839 O PRO A 51 -9.232 -0.152 2.139 1.00 0.00 O ATOM 840 CB PRO A 51 -6.980 0.770 0.792 1.00 0.00 C ATOM 841 CG PRO A 51 -7.235 2.056 0.022 1.00 0.00 C ATOM 842 CD PRO A 51 -7.987 1.697 -1.249 1.00 0.00 C ATOM 0 HA PRO A 51 -7.364 -1.238 0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.211 0.896 1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.932 0.477 0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.816 2.753 0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.294 2.550 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.922 2.252 -1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.401 1.935 -2.137 1.00 0.00 H new ATOM 850 N THR A 52 -10.059 -1.288 0.367 1.00 0.00 N ATOM 851 CA THR A 52 -11.301 -1.641 1.032 1.00 0.00 C ATOM 852 C THR A 52 -11.021 -2.497 2.268 1.00 0.00 C ATOM 853 O THR A 52 -10.031 -3.226 2.311 1.00 0.00 O ATOM 854 CB THR A 52 -12.206 -2.330 0.009 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.393 -2.439 -1.156 1.00 0.00 O ATOM 856 CG2 THR A 52 -13.372 -1.443 -0.433 1.00 0.00 C ATOM 0 H THR A 52 -9.974 -1.634 -0.589 1.00 0.00 H new ATOM 0 HA THR A 52 -11.817 -0.754 1.400 1.00 0.00 H new ATOM 0 HB THR A 52 -12.594 -3.256 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.943 -2.734 -1.912 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.983 -1.980 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.981 -1.184 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.984 -0.532 -0.889 1.00 0.00 H new ATOM 864 N TRP A 53 -11.910 -2.380 3.244 1.00 0.00 N ATOM 865 CA TRP A 53 -11.770 -3.134 4.478 1.00 0.00 C ATOM 866 C TRP A 53 -11.969 -4.616 4.152 1.00 0.00 C ATOM 867 O TRP A 53 -11.473 -5.485 4.867 1.00 0.00 O ATOM 868 CB TRP A 53 -12.738 -2.622 5.546 1.00 0.00 C ATOM 869 CG TRP A 53 -14.037 -3.424 5.644 1.00 0.00 C ATOM 870 CD1 TRP A 53 -15.180 -3.227 4.973 1.00 0.00 C ATOM 871 CD2 TRP A 53 -14.282 -4.564 6.494 1.00 0.00 C ATOM 872 NE1 TRP A 53 -16.140 -4.154 5.326 1.00 0.00 N ATOM 873 CE2 TRP A 53 -15.576 -4.993 6.281 1.00 0.00 C ATOM 874 CE3 TRP A 53 -13.438 -5.212 7.413 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -16.142 -6.086 6.949 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -14.018 -6.303 8.072 1.00 0.00 C ATOM 877 CH2 TRP A 53 -15.319 -6.747 7.868 1.00 0.00 C ATOM 0 H TRP A 53 -12.730 -1.774 3.205 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.774 -3.001 4.900 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -12.238 -2.641 6.514 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.981 -1.581 5.333 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -15.331 -2.442 4.247 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -17.088 -4.213 4.955 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -12.422 -4.893 7.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -17.158 -6.402 6.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -13.412 -6.837 8.789 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.693 -7.599 8.416 1.00 0.00 H new ATOM 888 N ASP A 54 -12.695 -4.859 3.071 1.00 0.00 N ATOM 889 CA ASP A 54 -12.966 -6.220 2.641 1.00 0.00 C ATOM 890 C ASP A 54 -11.661 -7.018 2.638 1.00 0.00 C ATOM 891 O ASP A 54 -11.537 -8.014 3.348 1.00 0.00 O ATOM 892 CB ASP A 54 -13.540 -6.246 1.223 1.00 0.00 C ATOM 893 CG ASP A 54 -15.067 -6.304 1.144 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.676 -5.213 1.130 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.590 -7.438 1.099 1.00 0.00 O ATOM 0 H ASP A 54 -13.104 -4.136 2.480 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.690 -6.654 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.197 -5.358 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.131 -7.109 0.697 1.00 0.00 H new ATOM 900 N GLN A 55 -10.720 -6.550 1.830 1.00 0.00 N ATOM 901 CA GLN A 55 -9.429 -7.208 1.725 1.00 0.00 C ATOM 902 C GLN A 55 -8.462 -6.648 2.769 1.00 0.00 C ATOM 903 O GLN A 55 -7.687 -7.394 3.366 1.00 0.00 O ATOM 904 CB GLN A 55 -8.855 -7.066 0.314 1.00 0.00 C ATOM 905 CG GLN A 55 -8.769 -8.426 -0.383 1.00 0.00 C ATOM 906 CD GLN A 55 -10.088 -8.772 -1.075 1.00 0.00 C ATOM 907 OE1 GLN A 55 -11.068 -8.049 -0.997 1.00 0.00 O ATOM 908 NE2 GLN A 55 -10.059 -9.915 -1.754 1.00 0.00 N ATOM 0 H GLN A 55 -10.826 -5.723 1.242 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.568 -8.271 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.481 -6.393 -0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.864 -6.616 0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.962 -8.413 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.524 -9.198 0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.205 -10.472 -1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.891 -10.234 -2.251 1.00 0.00 H new ATOM 917 N LEU A 56 -8.538 -5.339 2.959 1.00 0.00 N ATOM 918 CA LEU A 56 -7.679 -4.671 3.921 1.00 0.00 C ATOM 919 C LEU A 56 -7.951 -5.233 5.318 1.00 0.00 C ATOM 920 O LEU A 56 -7.094 -5.161 6.197 1.00 0.00 O ATOM 921 CB LEU A 56 -7.846 -3.153 3.826 1.00 0.00 C ATOM 922 CG LEU A 56 -6.912 -2.318 4.703 1.00 0.00 C ATOM 923 CD1 LEU A 56 -7.603 -1.908 6.005 1.00 0.00 C ATOM 924 CD2 LEU A 56 -5.597 -3.057 4.961 1.00 0.00 C ATOM 0 H LEU A 56 -9.182 -4.723 2.463 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.631 -4.868 3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.699 -2.856 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.875 -2.904 4.086 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.667 -1.402 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.917 -1.315 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.489 -1.316 5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.896 -2.800 6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.951 -2.442 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.803 -4.000 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.100 -3.257 4.012 1.00 0.00 H new ATOM 936 N GLN A 57 -9.147 -5.780 5.478 1.00 0.00 N ATOM 937 CA GLN A 57 -9.542 -6.354 6.753 1.00 0.00 C ATOM 938 C GLN A 57 -8.388 -7.159 7.353 1.00 0.00 C ATOM 939 O GLN A 57 -8.120 -7.069 8.550 1.00 0.00 O ATOM 940 CB GLN A 57 -10.794 -7.219 6.600 1.00 0.00 C ATOM 941 CG GLN A 57 -10.817 -8.340 7.642 1.00 0.00 C ATOM 942 CD GLN A 57 -10.835 -7.768 9.061 1.00 0.00 C ATOM 943 OE1 GLN A 57 -11.149 -6.611 9.288 1.00 0.00 O ATOM 944 NE2 GLN A 57 -10.483 -8.641 10.000 1.00 0.00 N ATOM 0 H GLN A 57 -9.855 -5.838 4.746 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.785 -5.540 7.436 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.684 -6.599 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.824 -7.648 5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.695 -8.967 7.488 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.943 -8.978 7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.232 -9.595 9.741 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.464 -8.357 10.979 1.00 0.00 H new ATOM 953 N TYR A 58 -7.737 -7.929 6.494 1.00 0.00 N ATOM 954 CA TYR A 58 -6.618 -8.751 6.924 1.00 0.00 C ATOM 955 C TYR A 58 -5.546 -7.901 7.610 1.00 0.00 C ATOM 956 O TYR A 58 -5.193 -8.151 8.762 1.00 0.00 O ATOM 957 CB TYR A 58 -6.029 -9.362 5.651 1.00 0.00 C ATOM 958 CG TYR A 58 -6.682 -10.681 5.235 1.00 0.00 C ATOM 959 CD1 TYR A 58 -6.973 -11.638 6.187 1.00 0.00 C ATOM 960 CD2 TYR A 58 -6.981 -10.915 3.908 1.00 0.00 C ATOM 961 CE1 TYR A 58 -7.588 -12.880 5.795 1.00 0.00 C ATOM 962 CE2 TYR A 58 -7.596 -12.157 3.517 1.00 0.00 C ATOM 963 CZ TYR A 58 -7.869 -13.078 4.480 1.00 0.00 C ATOM 964 OH TYR A 58 -8.449 -14.251 4.110 1.00 0.00 O ATOM 0 H TYR A 58 -7.963 -8.001 5.502 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.949 -9.507 7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.130 -8.645 4.836 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.962 -9.528 5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.739 -11.455 7.225 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.754 -10.167 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.821 -13.637 6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.835 -12.353 2.482 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.593 -14.253 3.141 1.00 0.00 H new ATOM 974 N MET A 59 -5.058 -6.914 6.874 1.00 0.00 N ATOM 975 CA MET A 59 -4.033 -6.026 7.397 1.00 0.00 C ATOM 976 C MET A 59 -4.601 -5.117 8.489 1.00 0.00 C ATOM 977 O MET A 59 -3.886 -4.727 9.411 1.00 0.00 O ATOM 978 CB MET A 59 -3.471 -5.170 6.260 1.00 0.00 C ATOM 979 CG MET A 59 -3.441 -5.953 4.947 1.00 0.00 C ATOM 980 SD MET A 59 -2.851 -7.612 5.239 1.00 0.00 S ATOM 981 CE MET A 59 -1.212 -7.486 4.542 1.00 0.00 C ATOM 0 H MET A 59 -5.353 -6.709 5.919 1.00 0.00 H new ATOM 0 HA MET A 59 -3.239 -6.633 7.833 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.080 -4.274 6.139 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.464 -4.839 6.513 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.439 -5.985 4.510 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.794 -5.449 4.228 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.808 -8.485 4.380 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.261 -6.956 3.591 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.565 -6.940 5.229 1.00 0.00 H new ATOM 991 N ARG A 60 -5.881 -4.805 8.348 1.00 0.00 N ATOM 992 CA ARG A 60 -6.553 -3.949 9.311 1.00 0.00 C ATOM 993 C ARG A 60 -6.418 -4.528 10.721 1.00 0.00 C ATOM 994 O ARG A 60 -6.268 -3.785 11.690 1.00 0.00 O ATOM 995 CB ARG A 60 -8.036 -3.795 8.971 1.00 0.00 C ATOM 996 CG ARG A 60 -8.900 -3.877 10.231 1.00 0.00 C ATOM 997 CD ARG A 60 -10.349 -3.491 9.929 1.00 0.00 C ATOM 998 NE ARG A 60 -10.811 -2.465 10.890 1.00 0.00 N ATOM 999 CZ ARG A 60 -12.055 -1.968 10.919 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -12.970 -2.401 10.041 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -12.384 -1.039 11.827 1.00 0.00 N ATOM 0 H ARG A 60 -6.470 -5.130 7.581 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.079 -2.968 9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.201 -2.839 8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.335 -4.574 8.270 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.866 -4.889 10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.496 -3.215 10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.428 -3.109 8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.989 -4.372 9.989 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.140 -2.114 11.573 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.719 -3.109 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.917 -2.023 10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.688 -0.710 12.496 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.331 -0.660 11.849 1.00 0.00 H new ATOM 1015 N THR A 61 -6.476 -5.850 10.791 1.00 0.00 N ATOM 1016 CA THR A 61 -6.362 -6.538 12.066 1.00 0.00 C ATOM 1017 C THR A 61 -4.928 -6.451 12.593 1.00 0.00 C ATOM 1018 O THR A 61 -4.712 -6.257 13.788 1.00 0.00 O ATOM 1019 CB THR A 61 -6.853 -7.974 11.875 1.00 0.00 C ATOM 1020 OG1 THR A 61 -6.840 -8.160 10.462 1.00 0.00 O ATOM 1021 CG2 THR A 61 -8.324 -8.145 12.259 1.00 0.00 C ATOM 0 H THR A 61 -6.600 -6.463 9.985 1.00 0.00 H new ATOM 0 HA THR A 61 -6.984 -6.066 12.827 1.00 0.00 H new ATOM 0 HB THR A 61 -6.241 -8.650 12.472 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.913 -8.184 10.144 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.622 -9.182 12.105 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.459 -7.881 13.308 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.940 -7.494 11.638 1.00 0.00 H new ATOM 1029 N SER A 62 -3.984 -6.600 11.674 1.00 0.00 N ATOM 1030 CA SER A 62 -2.577 -6.541 12.030 1.00 0.00 C ATOM 1031 C SER A 62 -2.011 -5.159 11.700 1.00 0.00 C ATOM 1032 O SER A 62 -1.203 -5.017 10.783 1.00 0.00 O ATOM 1033 CB SER A 62 -1.780 -7.628 11.306 1.00 0.00 C ATOM 1034 OG SER A 62 -2.139 -8.935 11.745 1.00 0.00 O ATOM 0 H SER A 62 -4.167 -6.761 10.684 1.00 0.00 H new ATOM 0 HA SER A 62 -2.488 -6.716 13.102 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.949 -7.547 10.232 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.715 -7.469 11.474 1.00 0.00 H new ATOM 0 HG SER A 62 -1.610 -9.601 11.258 1.00 0.00 H new ATOM 1040 N CYS A 63 -2.457 -4.173 12.465 1.00 0.00 N ATOM 1041 CA CYS A 63 -2.005 -2.807 12.265 1.00 0.00 C ATOM 1042 C CYS A 63 -2.858 -1.886 13.140 1.00 0.00 C ATOM 1043 O CYS A 63 -4.040 -2.148 13.354 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.058 -2.404 10.790 1.00 0.00 C ATOM 1045 SG CYS A 63 -0.429 -1.760 10.259 1.00 0.00 S ATOM 0 H CYS A 63 -3.127 -4.293 13.225 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.959 -2.720 12.560 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.335 -3.263 10.179 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.825 -1.645 10.639 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.589 -0.621 9.652 1.00 0.00 H new ATOM 1051 N PRO A 64 -2.208 -0.798 13.634 1.00 0.00 N ATOM 1052 CA PRO A 64 -2.894 0.163 14.480 1.00 0.00 C ATOM 1053 C PRO A 64 -3.828 1.052 13.655 1.00 0.00 C ATOM 1054 O PRO A 64 -4.917 1.402 14.106 1.00 0.00 O ATOM 1055 CB PRO A 64 -1.786 0.943 15.168 1.00 0.00 C ATOM 1056 CG PRO A 64 -0.534 0.708 14.338 1.00 0.00 C ATOM 1057 CD PRO A 64 -0.808 -0.456 13.400 1.00 0.00 C ATOM 0 HA PRO A 64 -3.544 -0.312 15.215 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.028 2.005 15.217 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.645 0.600 16.193 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.278 1.603 13.771 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.316 0.486 14.984 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.637 -0.176 12.361 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.153 -1.300 13.614 1.00 0.00 H new ATOM 1065 N GLN A 65 -3.366 1.392 12.460 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.145 2.233 11.568 1.00 0.00 C ATOM 1067 C GLN A 65 -4.923 1.372 10.571 1.00 0.00 C ATOM 1068 O GLN A 65 -5.707 1.890 9.777 1.00 0.00 O ATOM 1069 CB GLN A 65 -3.251 3.240 10.842 1.00 0.00 C ATOM 1070 CG GLN A 65 -3.434 4.648 11.413 1.00 0.00 C ATOM 1071 CD GLN A 65 -3.127 5.712 10.356 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -3.973 6.500 9.968 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -1.873 5.690 9.916 1.00 0.00 N ATOM 0 H GLN A 65 -2.462 1.100 12.089 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.860 2.798 12.166 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.208 2.939 10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.488 3.242 9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.457 4.769 11.770 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.778 4.784 12.273 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.215 5.003 10.284 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.568 6.361 9.210 1.00 0.00 H new ATOM 1082 N GLY A 66 -4.678 0.072 10.644 1.00 0.00 N ATOM 1083 CA GLY A 66 -5.346 -0.866 9.758 1.00 0.00 C ATOM 1084 C GLY A 66 -5.938 -0.147 8.544 1.00 0.00 C ATOM 1085 O GLY A 66 -5.216 0.205 7.613 1.00 0.00 O ATOM 0 H GLY A 66 -4.026 -0.354 11.303 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.638 -1.625 9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.137 -1.383 10.300 1.00 0.00 H new ATOM 1089 N PRO A 67 -7.282 0.055 8.596 1.00 0.00 N ATOM 1090 CA PRO A 67 -7.980 0.726 7.512 1.00 0.00 C ATOM 1091 C PRO A 67 -7.717 2.233 7.540 1.00 0.00 C ATOM 1092 O PRO A 67 -7.337 2.820 6.529 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.446 0.375 7.711 1.00 0.00 C ATOM 1094 CG PRO A 67 -9.571 -0.091 9.152 1.00 0.00 C ATOM 1095 CD PRO A 67 -8.170 -0.348 9.682 1.00 0.00 C ATOM 0 HA PRO A 67 -7.637 0.405 6.529 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.083 1.239 7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.758 -0.407 7.019 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.075 0.664 9.755 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.173 -0.998 9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.977 0.229 10.586 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.030 -1.398 9.938 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.931 2.817 8.711 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.722 4.244 8.884 1.00 0.00 C ATOM 1105 C VAL A 68 -6.427 4.655 8.181 1.00 0.00 C ATOM 1106 O VAL A 68 -6.283 5.800 7.757 1.00 0.00 O ATOM 1107 CB VAL A 68 -7.733 4.597 10.373 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -6.751 3.719 11.151 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -7.429 6.081 10.586 1.00 0.00 C ATOM 0 H VAL A 68 -8.247 2.327 9.548 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.534 4.808 8.424 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.734 4.402 10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.778 3.990 12.206 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.031 2.672 11.038 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.743 3.869 10.764 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.443 6.306 11.652 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.445 6.313 10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.182 6.683 10.078 1.00 0.00 H new ATOM 1119 N SER A 69 -5.517 3.697 8.080 1.00 0.00 N ATOM 1120 CA SER A 69 -4.238 3.945 7.436 1.00 0.00 C ATOM 1121 C SER A 69 -4.455 4.306 5.965 1.00 0.00 C ATOM 1122 O SER A 69 -3.900 5.289 5.475 1.00 0.00 O ATOM 1123 CB SER A 69 -3.317 2.729 7.554 1.00 0.00 C ATOM 1124 OG SER A 69 -2.059 3.066 8.131 1.00 0.00 O ATOM 0 H SER A 69 -5.640 2.748 8.433 1.00 0.00 H new ATOM 0 HA SER A 69 -3.756 4.782 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.802 1.965 8.162 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.159 2.297 6.566 1.00 0.00 H new ATOM 0 HG SER A 69 -1.501 2.263 8.190 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.262 3.492 5.301 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.558 3.713 3.896 1.00 0.00 C ATOM 1132 C LEU A 70 -6.499 4.912 3.761 1.00 0.00 C ATOM 1133 O LEU A 70 -6.222 5.839 3.001 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.098 2.433 3.254 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.215 1.191 3.390 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -3.773 1.496 2.980 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -5.299 0.611 4.803 1.00 0.00 C ATOM 0 H LEU A 70 -5.720 2.678 5.710 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.648 3.957 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.071 2.213 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.262 2.623 2.193 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.589 0.429 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.167 0.596 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.752 1.827 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.371 2.282 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.662 -0.271 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.965 1.358 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.330 0.332 5.021 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.590 4.856 4.509 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.573 5.926 4.482 1.00 0.00 C ATOM 1151 C GLN A 71 -7.882 7.284 4.618 1.00 0.00 C ATOM 1152 O GLN A 71 -8.238 8.237 3.926 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.624 5.733 5.577 1.00 0.00 C ATOM 1154 CG GLN A 71 -10.085 4.276 5.644 1.00 0.00 C ATOM 1155 CD GLN A 71 -11.601 4.189 5.835 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -12.360 3.991 4.901 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -11.997 4.347 7.095 1.00 0.00 N ATOM 0 H GLN A 71 -7.816 4.086 5.138 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.088 5.896 3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.210 6.032 6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.479 6.380 5.383 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.800 3.758 4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.581 3.769 6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.308 4.510 7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.989 4.305 7.327 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.907 7.329 5.513 1.00 0.00 N ATOM 1167 CA ARG A 72 -6.163 8.555 5.749 1.00 0.00 C ATOM 1168 C ARG A 72 -5.081 8.732 4.682 1.00 0.00 C ATOM 1169 O ARG A 72 -4.571 9.835 4.486 1.00 0.00 O ATOM 1170 CB ARG A 72 -5.509 8.545 7.132 1.00 0.00 C ATOM 1171 CG ARG A 72 -6.563 8.440 8.236 1.00 0.00 C ATOM 1172 CD ARG A 72 -6.631 9.732 9.053 1.00 0.00 C ATOM 1173 NE ARG A 72 -6.191 9.476 10.443 1.00 0.00 N ATOM 1174 CZ ARG A 72 -6.290 10.367 11.438 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -6.814 11.578 11.204 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -5.864 10.048 12.668 1.00 0.00 N ATOM 0 H ARG A 72 -6.614 6.536 6.084 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.867 9.385 5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.816 7.707 7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.924 9.455 7.268 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.538 8.233 7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.326 7.603 8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.999 10.494 8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.650 10.120 9.051 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.787 8.564 10.656 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.138 11.821 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.889 12.256 11.962 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.464 9.127 12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.939 10.727 13.426 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.762 7.630 4.019 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.749 7.650 2.977 1.00 0.00 C ATOM 1192 C GLN A 73 -4.256 8.426 1.759 1.00 0.00 C ATOM 1193 O GLN A 73 -3.525 9.229 1.182 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.334 6.230 2.588 1.00 0.00 C ATOM 1195 CG GLN A 73 -2.039 6.240 1.773 1.00 0.00 C ATOM 1196 CD GLN A 73 -0.897 5.584 2.551 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -0.825 4.375 2.697 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -0.010 6.446 3.040 1.00 0.00 N ATOM 0 H GLN A 73 -5.187 6.717 4.183 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.866 8.157 3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.197 5.628 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.129 5.761 2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.193 5.712 0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.771 7.266 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.130 7.446 2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.790 6.107 3.574 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.505 8.158 1.405 1.00 0.00 N ATOM 1208 CA ILE A 74 -6.118 8.820 0.266 1.00 0.00 C ATOM 1209 C ILE A 74 -6.583 10.217 0.684 1.00 0.00 C ATOM 1210 O ILE A 74 -6.679 10.513 1.874 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.231 7.952 -0.323 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.002 7.705 -1.816 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.607 8.563 -0.048 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.322 7.751 -2.588 1.00 0.00 C ATOM 0 H ILE A 74 -6.109 7.492 1.887 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.391 8.952 -0.535 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.205 6.981 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.319 8.456 -2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.527 6.735 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.380 7.926 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.760 8.645 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.662 9.554 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.131 7.573 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.994 6.983 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.783 8.731 -2.463 1.00 0.00 H new ATOM 1226 N PRO A 75 -6.866 11.060 -0.345 1.00 0.00 N ATOM 1227 CA PRO A 75 -7.318 12.418 -0.097 1.00 0.00 C ATOM 1228 C PRO A 75 -8.777 12.435 0.364 1.00 0.00 C ATOM 1229 O PRO A 75 -9.322 11.401 0.749 1.00 0.00 O ATOM 1230 CB PRO A 75 -7.102 13.151 -1.410 1.00 0.00 C ATOM 1231 CG PRO A 75 -6.975 12.073 -2.474 1.00 0.00 C ATOM 1232 CD PRO A 75 -6.763 10.744 -1.767 1.00 0.00 C ATOM 0 HA PRO A 75 -6.768 12.903 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.937 13.817 -1.627 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.204 13.768 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.873 12.038 -3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.139 12.289 -3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.514 10.012 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.789 10.318 -2.008 1.00 0.00 H new ATOM 1240 N LYS A 76 -9.369 13.619 0.309 1.00 0.00 N ATOM 1241 CA LYS A 76 -10.754 13.783 0.716 1.00 0.00 C ATOM 1242 C LYS A 76 -11.088 12.757 1.800 1.00 0.00 C ATOM 1243 O LYS A 76 -12.091 12.052 1.704 1.00 0.00 O ATOM 1244 CB LYS A 76 -11.680 13.718 -0.500 1.00 0.00 C ATOM 1245 CG LYS A 76 -12.631 14.916 -0.531 1.00 0.00 C ATOM 1246 CD LYS A 76 -13.240 15.168 0.850 1.00 0.00 C ATOM 1247 CE LYS A 76 -12.799 16.524 1.405 1.00 0.00 C ATOM 1248 NZ LYS A 76 -12.282 16.376 2.784 1.00 0.00 N ATOM 0 H LYS A 76 -8.915 14.474 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.909 14.769 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.085 13.698 -1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.256 12.793 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.093 15.804 -0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.425 14.736 -1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.327 15.135 0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.938 14.375 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.027 16.952 0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.640 17.217 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.001 16.703 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.063 15.376 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.419 16.945 2.894 1.00 0.00 H new ATOM 1262 N LEU A 77 -10.228 12.705 2.806 1.00 0.00 N ATOM 1263 CA LEU A 77 -10.419 11.777 3.908 1.00 0.00 C ATOM 1264 C LEU A 77 -11.898 11.756 4.300 1.00 0.00 C ATOM 1265 O LEU A 77 -12.564 10.730 4.168 1.00 0.00 O ATOM 1266 CB LEU A 77 -9.480 12.119 5.066 1.00 0.00 C ATOM 1267 CG LEU A 77 -8.375 11.101 5.357 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -7.047 11.542 4.739 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -8.250 10.842 6.860 1.00 0.00 C ATOM 0 H LEU A 77 -9.396 13.291 2.881 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.155 10.764 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.014 13.082 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.079 12.244 5.968 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.650 10.156 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.279 10.801 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.161 11.634 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.753 12.505 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.458 10.115 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.010 11.774 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.194 10.452 7.242 1.00 0.00 H new ATOM 1281 N ASP A 78 -12.368 12.900 4.774 1.00 0.00 N ATOM 1282 CA ASP A 78 -13.755 13.026 5.187 1.00 0.00 C ATOM 1283 C ASP A 78 -14.649 12.297 4.182 1.00 0.00 C ATOM 1284 O ASP A 78 -15.750 11.865 4.523 1.00 0.00 O ATOM 1285 CB ASP A 78 -14.187 14.493 5.227 1.00 0.00 C ATOM 1286 CG ASP A 78 -15.672 14.722 5.516 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -16.185 14.037 6.427 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -16.261 15.577 4.819 1.00 0.00 O ATOM 0 H ASP A 78 -11.812 13.749 4.881 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.851 12.595 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.601 15.008 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.943 14.954 4.270 1.00 0.00 H new ATOM 1293 N SER A 79 -14.144 12.182 2.963 1.00 0.00 N ATOM 1294 CA SER A 79 -14.883 11.513 1.906 1.00 0.00 C ATOM 1295 C SER A 79 -14.834 9.997 2.112 1.00 0.00 C ATOM 1296 O SER A 79 -15.867 9.363 2.323 1.00 0.00 O ATOM 1297 CB SER A 79 -14.328 11.879 0.528 1.00 0.00 C ATOM 1298 OG SER A 79 -15.331 11.828 -0.483 1.00 0.00 O ATOM 0 H SER A 79 -13.231 12.541 2.683 1.00 0.00 H new ATOM 0 HA SER A 79 -15.920 11.847 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.900 12.881 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.519 11.196 0.270 1.00 0.00 H new ATOM 0 HG SER A 79 -14.937 12.070 -1.347 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.625 9.461 2.044 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.428 8.033 2.220 1.00 0.00 C ATOM 1306 C VAL A 80 -13.436 7.702 3.714 1.00 0.00 C ATOM 1307 O VAL A 80 -13.875 6.624 4.113 1.00 0.00 O ATOM 1308 CB VAL A 80 -12.144 7.590 1.517 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.908 8.009 2.316 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -12.148 6.081 1.265 1.00 0.00 C ATOM 0 H VAL A 80 -12.771 9.991 1.869 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.243 7.476 1.758 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.103 8.091 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.009 7.682 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.893 9.094 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.941 7.550 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.224 5.793 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.225 5.554 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.998 5.820 0.635 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.945 8.649 4.500 1.00 0.00 N ATOM 1321 CA LEU A 81 -12.889 8.472 5.941 1.00 0.00 C ATOM 1322 C LEU A 81 -14.309 8.291 6.483 1.00 0.00 C ATOM 1323 O LEU A 81 -14.493 7.988 7.661 1.00 0.00 O ATOM 1324 CB LEU A 81 -12.124 9.624 6.594 1.00 0.00 C ATOM 1325 CG LEU A 81 -12.268 9.751 8.111 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -13.662 10.257 8.489 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -11.930 8.431 8.807 1.00 0.00 C ATOM 0 H LEU A 81 -12.582 9.542 4.166 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.333 7.569 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.066 9.511 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.454 10.557 6.138 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.550 10.493 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -13.738 10.338 9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.828 11.236 8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.414 9.558 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.041 8.549 9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.606 7.651 8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.902 8.151 8.576 1.00 0.00 H new ATOM 1339 N LYS A 82 -15.275 8.486 5.598 1.00 0.00 N ATOM 1340 CA LYS A 82 -16.672 8.349 5.973 1.00 0.00 C ATOM 1341 C LYS A 82 -17.391 7.481 4.937 1.00 0.00 C ATOM 1342 O LYS A 82 -17.345 6.254 5.011 1.00 0.00 O ATOM 1343 CB LYS A 82 -17.311 9.724 6.173 1.00 0.00 C ATOM 1344 CG LYS A 82 -18.835 9.614 6.255 1.00 0.00 C ATOM 1345 CD LYS A 82 -19.506 10.502 5.206 1.00 0.00 C ATOM 1346 CE LYS A 82 -20.320 11.615 5.869 1.00 0.00 C ATOM 1347 NZ LYS A 82 -21.155 12.315 4.866 1.00 0.00 N ATOM 0 H LYS A 82 -15.118 8.738 4.622 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.760 7.840 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.926 10.178 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.034 10.381 5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -19.137 8.577 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -19.171 9.904 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -18.748 10.939 4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -20.157 9.897 4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -20.954 11.194 6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -19.649 12.326 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -21.701 13.067 5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -20.543 12.733 4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -21.808 11.637 4.424 1.00 0.00 H new ATOM 1361 N TYR A 83 -18.038 8.153 3.997 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.766 7.459 2.948 1.00 0.00 C ATOM 1363 C TYR A 83 -19.132 8.414 1.810 1.00 0.00 C ATOM 1364 O TYR A 83 -19.903 8.059 0.920 1.00 0.00 O ATOM 1365 CB TYR A 83 -20.051 6.942 3.597 1.00 0.00 C ATOM 1366 CG TYR A 83 -20.893 6.048 2.684 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -20.507 4.744 2.449 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -22.038 6.546 2.096 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -21.300 3.903 1.590 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -22.830 5.705 1.237 1.00 0.00 C ATOM 1371 CZ TYR A 83 -22.422 4.424 1.027 1.00 0.00 C ATOM 1372 OH TYR A 83 -23.171 3.630 0.215 1.00 0.00 O ATOM 0 H TYR A 83 -18.074 9.171 3.939 1.00 0.00 H new ATOM 0 HA TYR A 83 -18.159 6.658 2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.792 6.384 4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.655 7.793 3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -19.611 4.354 2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -22.340 7.566 2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -21.010 2.881 1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -23.728 6.082 0.770 1.00 0.00 H new ATOM 0 HH TYR A 83 -22.982 3.849 -0.721 1.00 0.00 H new ATOM 1382 N LYS A 84 -18.562 9.609 1.876 1.00 0.00 N ATOM 1383 CA LYS A 84 -18.818 10.618 0.863 1.00 0.00 C ATOM 1384 C LYS A 84 -18.449 10.059 -0.513 1.00 0.00 C ATOM 1385 O LYS A 84 -18.546 8.854 -0.743 1.00 0.00 O ATOM 1386 CB LYS A 84 -18.097 11.922 1.210 1.00 0.00 C ATOM 1387 CG LYS A 84 -19.008 13.130 0.982 1.00 0.00 C ATOM 1388 CD LYS A 84 -18.225 14.438 1.110 1.00 0.00 C ATOM 1389 CE LYS A 84 -17.540 14.798 -0.210 1.00 0.00 C ATOM 1390 NZ LYS A 84 -18.541 15.203 -1.221 1.00 0.00 N ATOM 0 H LYS A 84 -17.923 9.901 2.616 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.879 10.866 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.774 11.897 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -17.199 12.019 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -19.460 13.068 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.823 13.117 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.899 15.242 1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.478 14.343 1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.830 15.609 -0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.971 13.943 -0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.081 15.782 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.954 14.355 -1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.293 15.757 -0.763 1.00 0.00 H new ATOM 1404 N HIS A 85 -18.034 10.960 -1.391 1.00 0.00 N ATOM 1405 CA HIS A 85 -17.651 10.572 -2.737 1.00 0.00 C ATOM 1406 C HIS A 85 -16.980 9.197 -2.703 1.00 0.00 C ATOM 1407 O HIS A 85 -16.941 8.496 -3.714 1.00 0.00 O ATOM 1408 CB HIS A 85 -16.771 11.645 -3.382 1.00 0.00 C ATOM 1409 CG HIS A 85 -17.325 12.198 -4.673 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -17.729 11.391 -5.723 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -17.538 13.485 -5.073 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -18.163 12.168 -6.704 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -18.044 13.465 -6.300 1.00 0.00 N ATOM 0 H HIS A 85 -17.955 11.958 -1.196 1.00 0.00 H new ATOM 0 HA HIS A 85 -18.540 10.489 -3.362 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -16.638 12.464 -2.675 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.784 11.224 -3.573 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.330 14.370 -4.490 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.544 11.833 -7.657 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.301 14.285 -6.850 1.00 0.00 H new ATOM 1421 N THR A 86 -16.469 8.852 -1.531 1.00 0.00 N ATOM 1422 CA THR A 86 -15.802 7.574 -1.352 1.00 0.00 C ATOM 1423 C THR A 86 -16.719 6.428 -1.786 1.00 0.00 C ATOM 1424 O THR A 86 -16.264 5.300 -1.971 1.00 0.00 O ATOM 1425 CB THR A 86 -15.354 7.474 0.108 1.00 0.00 C ATOM 1426 OG1 THR A 86 -14.400 6.415 0.107 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.468 6.971 1.029 1.00 0.00 C ATOM 0 H THR A 86 -16.503 9.436 -0.695 1.00 0.00 H new ATOM 0 HA THR A 86 -14.917 7.498 -1.984 1.00 0.00 H new ATOM 0 HB THR A 86 -15.013 8.451 0.451 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.779 5.633 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.098 6.919 2.053 1.00 0.00 H new ATOM 0 HG22 THR A 86 -17.314 7.656 0.984 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.786 5.979 0.707 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.994 6.757 -1.935 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.978 5.770 -2.343 1.00 0.00 C ATOM 1437 C ASP A 87 -18.316 4.748 -3.269 1.00 0.00 C ATOM 1438 O ASP A 87 -17.163 4.374 -3.063 1.00 0.00 O ATOM 1439 CB ASP A 87 -20.130 6.425 -3.109 1.00 0.00 C ATOM 1440 CG ASP A 87 -21.528 5.962 -2.695 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.612 5.266 -1.660 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -22.481 6.314 -3.422 1.00 0.00 O ATOM 0 H ASP A 87 -18.368 7.693 -1.780 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.368 5.291 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -20.067 7.505 -2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.998 6.227 -4.173 1.00 0.00 H new ATOM 1447 N PRO A 88 -19.094 4.315 -4.297 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.595 3.343 -5.256 1.00 0.00 C ATOM 1449 C PRO A 88 -17.609 3.991 -6.230 1.00 0.00 C ATOM 1450 O PRO A 88 -17.368 3.466 -7.316 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.835 2.795 -5.943 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.939 3.806 -5.677 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.464 4.736 -4.573 1.00 0.00 C ATOM 0 HA PRO A 88 -18.030 2.539 -4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.667 2.672 -7.013 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.100 1.814 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.165 4.371 -6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.857 3.299 -5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.502 5.778 -4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -21.091 4.650 -3.686 1.00 0.00 H new ATOM 1461 N THR A 89 -17.064 5.122 -5.806 1.00 0.00 N ATOM 1462 CA THR A 89 -16.109 5.847 -6.627 1.00 0.00 C ATOM 1463 C THR A 89 -14.715 5.230 -6.495 1.00 0.00 C ATOM 1464 O THR A 89 -14.045 4.981 -7.496 1.00 0.00 O ATOM 1465 CB THR A 89 -16.162 7.322 -6.223 1.00 0.00 C ATOM 1466 OG1 THR A 89 -15.760 8.018 -7.400 1.00 0.00 O ATOM 1467 CG2 THR A 89 -15.092 7.685 -5.191 1.00 0.00 C ATOM 0 H THR A 89 -17.266 5.554 -4.904 1.00 0.00 H new ATOM 0 HA THR A 89 -16.362 5.776 -7.685 1.00 0.00 H new ATOM 0 HB THR A 89 -17.148 7.553 -5.820 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.796 7.903 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.173 8.742 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 89 -15.235 7.086 -4.292 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.104 7.486 -5.606 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.320 5.001 -5.251 1.00 0.00 N ATOM 1476 CA PHE A 90 -13.019 4.418 -4.975 1.00 0.00 C ATOM 1477 C PHE A 90 -13.144 2.931 -4.638 1.00 0.00 C ATOM 1478 O PHE A 90 -12.166 2.189 -4.712 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.445 5.156 -3.764 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.637 6.405 -4.122 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.635 6.327 -5.038 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.920 7.593 -3.523 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -9.885 7.486 -5.370 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.169 8.752 -3.855 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.168 8.674 -4.772 1.00 0.00 C ATOM 0 H PHE A 90 -14.879 5.209 -4.423 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.377 4.512 -5.851 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.264 5.442 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.808 4.472 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.410 5.384 -5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.716 7.655 -2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.089 7.424 -6.098 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.393 9.695 -3.379 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.598 9.556 -5.025 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.357 2.539 -4.275 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.623 1.154 -3.926 1.00 0.00 C ATOM 1497 C GLY A 91 -14.046 0.204 -4.977 1.00 0.00 C ATOM 1498 O GLY A 91 -13.261 0.617 -5.829 1.00 0.00 O ATOM 0 H GLY A 91 -15.166 3.157 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.189 0.931 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.698 0.997 -3.840 1.00 0.00 H new ATOM 1502 N MET A 92 -14.457 -1.052 -4.882 1.00 0.00 N ATOM 1503 CA MET A 92 -13.991 -2.065 -5.814 1.00 0.00 C ATOM 1504 C MET A 92 -12.672 -1.645 -6.465 1.00 0.00 C ATOM 1505 O MET A 92 -11.597 -1.997 -5.981 1.00 0.00 O ATOM 1506 CB MET A 92 -15.048 -2.287 -6.898 1.00 0.00 C ATOM 1507 CG MET A 92 -15.726 -0.969 -7.280 1.00 0.00 C ATOM 1508 SD MET A 92 -16.913 -0.508 -6.030 1.00 0.00 S ATOM 1509 CE MET A 92 -16.863 1.269 -6.196 1.00 0.00 C ATOM 0 H MET A 92 -15.108 -1.391 -4.174 1.00 0.00 H new ATOM 0 HA MET A 92 -13.824 -2.990 -5.263 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.583 -2.730 -7.779 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.796 -2.995 -6.542 1.00 0.00 H new ATOM 0 HG2 MET A 92 -14.978 -0.184 -7.390 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.223 -1.072 -8.245 1.00 0.00 H new ATOM 0 HE1 MET A 92 -17.082 1.731 -5.233 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.871 1.576 -6.528 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.605 1.587 -6.928 1.00 0.00 H new ATOM 1519 N ASP A 93 -12.797 -0.899 -7.553 1.00 0.00 N ATOM 1520 CA ASP A 93 -11.628 -0.427 -8.275 1.00 0.00 C ATOM 1521 C ASP A 93 -11.423 1.062 -7.989 1.00 0.00 C ATOM 1522 O ASP A 93 -12.113 1.907 -8.556 1.00 0.00 O ATOM 1523 CB ASP A 93 -11.808 -0.598 -9.785 1.00 0.00 C ATOM 1524 CG ASP A 93 -11.610 -2.024 -10.303 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -10.480 -2.534 -10.144 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -12.594 -2.572 -10.845 1.00 0.00 O ATOM 0 H ASP A 93 -13.690 -0.610 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.769 -1.012 -7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.810 -0.265 -10.056 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.104 0.059 -10.296 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.471 1.337 -7.109 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.167 2.709 -6.741 1.00 0.00 C ATOM 1533 C LEU A 94 -9.355 3.365 -7.860 1.00 0.00 C ATOM 1534 O LEU A 94 -9.343 4.588 -7.988 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.481 2.757 -5.374 1.00 0.00 C ATOM 1536 CG LEU A 94 -8.114 3.444 -5.333 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -8.096 4.567 -4.294 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -6.996 2.427 -5.097 1.00 0.00 C ATOM 0 H LEU A 94 -9.901 0.633 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.085 3.287 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.143 3.268 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.363 1.735 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.932 3.902 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.113 5.039 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.853 5.309 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.309 4.154 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.035 2.941 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.160 1.920 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.994 1.694 -5.904 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.695 2.522 -8.641 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.883 3.004 -9.745 1.00 0.00 C ATOM 1552 C GLN A 95 -8.710 3.914 -10.655 1.00 0.00 C ATOM 1553 O GLN A 95 -8.169 4.809 -11.303 1.00 0.00 O ATOM 1554 CB GLN A 95 -7.282 1.839 -10.533 1.00 0.00 C ATOM 1555 CG GLN A 95 -6.900 0.686 -9.603 1.00 0.00 C ATOM 1556 CD GLN A 95 -7.828 -0.513 -9.808 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -7.849 -1.143 -10.853 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -8.591 -0.793 -8.755 1.00 0.00 N ATOM 0 H GLN A 95 -8.706 1.508 -8.531 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.057 3.587 -9.336 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.999 1.489 -11.276 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.401 2.179 -11.077 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.868 0.389 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.952 1.018 -8.566 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.523 -0.225 -7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -9.244 -1.576 -8.792 1.00 0.00 H new ATOM 1567 N LYS A 96 -10.009 3.653 -10.676 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.917 4.437 -11.497 1.00 0.00 C ATOM 1569 C LYS A 96 -10.892 5.893 -11.028 1.00 0.00 C ATOM 1570 O LYS A 96 -11.084 6.809 -11.827 1.00 0.00 O ATOM 1571 CB LYS A 96 -12.314 3.814 -11.495 1.00 0.00 C ATOM 1572 CG LYS A 96 -12.238 2.297 -11.681 1.00 0.00 C ATOM 1573 CD LYS A 96 -11.240 1.928 -12.780 1.00 0.00 C ATOM 1574 CE LYS A 96 -11.558 0.554 -13.371 1.00 0.00 C ATOM 1575 NZ LYS A 96 -12.196 0.696 -14.699 1.00 0.00 N ATOM 0 H LYS A 96 -10.454 2.910 -10.138 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.592 4.431 -12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.817 4.044 -10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.913 4.252 -12.293 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.942 1.827 -10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.224 1.908 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.266 2.681 -13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.229 1.927 -12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.642 -0.030 -13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.220 0.007 -12.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.405 -0.246 -15.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.080 1.235 -14.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.551 1.199 -15.342 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.655 6.062 -9.736 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.603 7.391 -9.152 1.00 0.00 C ATOM 1591 C CYS A 97 -9.138 7.829 -9.083 1.00 0.00 C ATOM 1592 O CYS A 97 -8.796 8.933 -9.504 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.275 7.432 -7.778 1.00 0.00 C ATOM 1594 SG CYS A 97 -13.091 7.553 -7.973 1.00 0.00 S ATOM 0 H CYS A 97 -10.497 5.300 -9.077 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.161 8.087 -9.778 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.021 6.535 -7.213 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.905 8.284 -7.208 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.591 6.363 -8.128 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.312 6.940 -8.550 1.00 0.00 N ATOM 1601 CA VAL A 98 -6.893 7.221 -8.421 1.00 0.00 C ATOM 1602 C VAL A 98 -6.309 7.522 -9.803 1.00 0.00 C ATOM 1603 O VAL A 98 -5.399 8.340 -9.932 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.191 6.058 -7.717 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -4.671 6.228 -7.760 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -6.685 5.911 -6.276 1.00 0.00 C ATOM 0 H VAL A 98 -8.599 6.025 -8.203 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.734 8.103 -7.801 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.441 5.142 -8.253 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.196 5.388 -7.253 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.338 6.261 -8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.394 7.157 -7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.170 5.077 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.479 6.829 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.759 5.722 -6.277 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.857 6.845 -10.802 1.00 0.00 N ATOM 1617 CA GLN A 99 -6.402 7.030 -12.169 1.00 0.00 C ATOM 1618 C GLN A 99 -6.171 8.515 -12.456 1.00 0.00 C ATOM 1619 O GLN A 99 -5.433 8.866 -13.375 1.00 0.00 O ATOM 1620 CB GLN A 99 -7.397 6.428 -13.164 1.00 0.00 C ATOM 1621 CG GLN A 99 -8.838 6.735 -12.752 1.00 0.00 C ATOM 1622 CD GLN A 99 -9.421 7.868 -13.600 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -9.994 8.821 -13.099 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -9.242 7.712 -14.909 1.00 0.00 N ATOM 0 H GLN A 99 -7.612 6.168 -10.691 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.454 6.505 -12.290 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -7.207 6.827 -14.160 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.253 5.349 -13.220 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.450 5.840 -12.864 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.868 7.012 -11.698 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.753 6.890 -15.262 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.594 8.415 -15.559 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.816 9.347 -11.652 1.00 0.00 N ATOM 1634 CA ARG A 100 -6.690 10.786 -11.807 1.00 0.00 C ATOM 1635 C ARG A 100 -8.045 11.464 -11.590 1.00 0.00 C ATOM 1636 O ARG A 100 -8.116 12.683 -11.442 1.00 0.00 O ATOM 1637 CB ARG A 100 -6.165 11.146 -13.199 1.00 0.00 C ATOM 1638 CG ARG A 100 -6.371 12.633 -13.495 1.00 0.00 C ATOM 1639 CD ARG A 100 -7.685 12.866 -14.243 1.00 0.00 C ATOM 1640 NE ARG A 100 -7.716 14.237 -14.798 1.00 0.00 N ATOM 1641 CZ ARG A 100 -8.641 14.677 -15.662 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -9.617 13.857 -16.074 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -8.589 15.938 -16.114 1.00 0.00 N ATOM 0 H ARG A 100 -7.428 9.052 -10.891 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.979 11.139 -11.060 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.105 10.902 -13.266 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.678 10.547 -13.951 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.375 13.196 -12.562 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.538 13.008 -14.090 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.789 12.137 -15.047 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.528 12.719 -13.568 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.988 14.888 -14.505 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.656 12.898 -15.730 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.321 14.192 -16.732 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.846 16.562 -15.800 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.293 16.273 -16.772 1.00 0.00 H new ATOM 1657 N GLY A 101 -9.086 10.645 -11.579 1.00 0.00 N ATOM 1658 CA GLY A 101 -10.434 11.150 -11.383 1.00 0.00 C ATOM 1659 C GLY A 101 -10.561 11.865 -10.036 1.00 0.00 C ATOM 1660 O GLY A 101 -9.905 12.879 -9.803 1.00 0.00 O ATOM 0 H GLY A 101 -9.023 9.634 -11.703 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.689 11.838 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.145 10.326 -11.430 1.00 0.00 H new ATOM 1664 N LEU A 102 -11.409 11.308 -9.184 1.00 0.00 N ATOM 1665 CA LEU A 102 -11.630 11.879 -7.867 1.00 0.00 C ATOM 1666 C LEU A 102 -10.503 12.863 -7.547 1.00 0.00 C ATOM 1667 O LEU A 102 -10.658 14.070 -7.727 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.795 10.772 -6.823 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.811 11.044 -5.712 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -12.139 11.691 -4.500 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -13.982 11.879 -6.233 1.00 0.00 C ATOM 0 H LEU A 102 -11.951 10.467 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.562 12.444 -7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.085 9.856 -7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.824 10.586 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.219 10.089 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.884 11.874 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.368 11.025 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.685 12.637 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.690 12.058 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.610 12.833 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.481 11.342 -7.039 1.00 0.00 H new ATOM 1683 N TRP A 103 -9.394 12.311 -7.077 1.00 0.00 N ATOM 1684 CA TRP A 103 -8.242 13.125 -6.730 1.00 0.00 C ATOM 1685 C TRP A 103 -6.981 12.314 -7.034 1.00 0.00 C ATOM 1686 O TRP A 103 -7.005 11.085 -6.995 1.00 0.00 O ATOM 1687 CB TRP A 103 -8.317 13.590 -5.274 1.00 0.00 C ATOM 1688 CG TRP A 103 -8.203 15.105 -5.097 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -7.657 15.995 -5.937 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -8.672 15.877 -3.971 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -7.738 17.279 -5.437 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -8.375 17.205 -4.204 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -9.324 15.468 -2.796 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -8.694 18.230 -3.306 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -9.636 16.504 -1.908 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -9.344 17.846 -2.127 1.00 0.00 C ATOM 0 H TRP A 103 -9.269 11.310 -6.928 1.00 0.00 H new ATOM 0 HA TRP A 103 -8.221 14.037 -7.326 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -9.261 13.255 -4.845 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.520 13.108 -4.708 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -7.210 15.740 -6.886 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.394 18.126 -5.889 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.566 14.435 -2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -8.452 19.262 -3.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.139 16.243 -0.988 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -9.617 18.588 -1.391 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.909 13.035 -7.331 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.641 12.397 -7.642 1.00 0.00 C ATOM 1709 C ASN A 104 -3.838 12.213 -6.352 1.00 0.00 C ATOM 1710 O ASN A 104 -3.208 13.152 -5.870 1.00 0.00 O ATOM 1711 CB ASN A 104 -3.812 13.258 -8.596 1.00 0.00 C ATOM 1712 CG ASN A 104 -3.488 14.616 -7.970 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -4.361 15.357 -7.548 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -2.189 14.899 -7.933 1.00 0.00 N ATOM 0 H ASN A 104 -5.893 14.054 -7.363 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.852 11.437 -8.113 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.887 12.740 -8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.359 13.404 -9.527 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.871 15.782 -7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.511 14.233 -8.304 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.889 10.964 -5.817 1.00 0.00 N ATOM 1722 CA PRO A 105 -3.174 10.644 -4.593 1.00 0.00 C ATOM 1723 C PRO A 105 -1.673 10.509 -4.855 1.00 0.00 C ATOM 1724 O PRO A 105 -1.246 10.408 -6.004 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.809 9.357 -4.092 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.532 8.756 -5.286 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.626 9.827 -6.361 1.00 0.00 C ATOM 0 HA PRO A 105 -3.253 11.429 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.053 8.672 -3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.503 9.556 -3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.993 7.886 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.527 8.415 -4.998 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.190 9.485 -7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.663 10.090 -6.568 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.913 10.511 -3.769 1.00 0.00 N ATOM 1736 CA LYS A 106 0.531 10.389 -3.867 1.00 0.00 C ATOM 1737 C LYS A 106 1.053 9.584 -2.675 1.00 0.00 C ATOM 1738 O LYS A 106 2.059 9.947 -2.068 1.00 0.00 O ATOM 1739 CB LYS A 106 1.177 11.769 -4.006 1.00 0.00 C ATOM 1740 CG LYS A 106 0.126 12.838 -4.312 1.00 0.00 C ATOM 1741 CD LYS A 106 -0.813 13.041 -3.121 1.00 0.00 C ATOM 1742 CE LYS A 106 -0.125 12.659 -1.809 1.00 0.00 C ATOM 1743 NZ LYS A 106 1.024 13.555 -1.547 1.00 0.00 N ATOM 0 H LYS A 106 -1.271 10.595 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 106 0.806 9.841 -4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.702 12.023 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.921 11.748 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.619 13.779 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.451 12.545 -5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.132 14.082 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.711 12.437 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.837 12.721 -0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.216 11.625 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.883 12.986 -1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.159 14.193 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.838 14.117 -0.692 1.00 0.00 H new ATOM 1757 N GLU A 107 0.344 8.505 -2.375 1.00 0.00 N ATOM 1758 CA GLU A 107 0.722 7.645 -1.267 1.00 0.00 C ATOM 1759 C GLU A 107 0.792 6.187 -1.725 1.00 0.00 C ATOM 1760 O GLU A 107 0.155 5.811 -2.708 1.00 0.00 O ATOM 1761 CB GLU A 107 -0.246 7.805 -0.093 1.00 0.00 C ATOM 1762 CG GLU A 107 -0.408 9.278 0.288 1.00 0.00 C ATOM 1763 CD GLU A 107 0.830 9.792 1.026 1.00 0.00 C ATOM 1764 OE1 GLU A 107 1.855 9.996 0.340 1.00 0.00 O ATOM 1765 OE2 GLU A 107 0.724 9.970 2.258 1.00 0.00 O ATOM 0 H GLU A 107 -0.490 8.207 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 107 1.712 7.945 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.217 7.385 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.121 7.242 0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.574 9.874 -0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.289 9.400 0.919 1.00 0.00 H new ATOM 1772 N ALA A 108 1.572 5.406 -0.992 1.00 0.00 N ATOM 1773 CA ALA A 108 1.733 3.998 -1.312 1.00 0.00 C ATOM 1774 C ALA A 108 1.203 3.152 -0.152 1.00 0.00 C ATOM 1775 O ALA A 108 1.368 3.515 1.011 1.00 0.00 O ATOM 1776 CB ALA A 108 3.204 3.709 -1.620 1.00 0.00 C ATOM 0 H ALA A 108 2.099 5.722 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 108 1.157 3.738 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.325 2.653 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.523 4.313 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.813 3.955 -0.750 1.00 0.00 H new ATOM 1782 N LEU A 109 0.577 2.041 -0.510 1.00 0.00 N ATOM 1783 CA LEU A 109 0.021 1.141 0.486 1.00 0.00 C ATOM 1784 C LEU A 109 0.830 -0.158 0.501 1.00 0.00 C ATOM 1785 O LEU A 109 0.796 -0.925 -0.460 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.475 0.931 0.244 1.00 0.00 C ATOM 1787 CG LEU A 109 -2.203 2.067 -0.477 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -2.170 3.353 0.352 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -1.637 2.277 -1.882 1.00 0.00 C ATOM 0 H LEU A 109 0.442 1.743 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 109 0.100 1.579 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.604 0.017 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.959 0.769 1.207 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.249 1.784 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.694 4.145 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.657 3.180 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.135 3.652 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.172 3.090 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.579 2.528 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.756 1.362 -2.463 1.00 0.00 H new ATOM 1801 N TRP A 110 1.537 -0.365 1.602 1.00 0.00 N ATOM 1802 CA TRP A 110 2.353 -1.557 1.754 1.00 0.00 C ATOM 1803 C TRP A 110 1.719 -2.428 2.841 1.00 0.00 C ATOM 1804 O TRP A 110 1.343 -1.928 3.900 1.00 0.00 O ATOM 1805 CB TRP A 110 3.808 -1.192 2.054 1.00 0.00 C ATOM 1806 CG TRP A 110 4.137 -1.117 3.546 1.00 0.00 C ATOM 1807 CD1 TRP A 110 4.451 -0.033 4.268 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.170 -2.220 4.476 1.00 0.00 C ATOM 1809 NE1 TRP A 110 4.684 -0.355 5.589 1.00 0.00 N ATOM 1810 CE2 TRP A 110 4.507 -1.728 5.720 1.00 0.00 C ATOM 1811 CE3 TRP A 110 3.922 -3.589 4.272 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 4.629 -2.535 6.857 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.048 -4.383 5.419 1.00 0.00 C ATOM 1814 CH2 TRP A 110 4.387 -3.903 6.678 1.00 0.00 C ATOM 0 H TRP A 110 1.562 0.273 2.397 1.00 0.00 H new ATOM 0 HA TRP A 110 2.382 -2.125 0.824 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.460 -1.929 1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 110 4.032 -0.229 1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 110 4.514 0.967 3.866 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.939 0.295 6.333 1.00 0.00 H new ATOM 0 HE3 TRP A 110 3.656 -3.996 3.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.895 -2.125 7.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 3.869 -5.443 5.318 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.464 -4.582 7.515 1.00 0.00 H new ATOM 1825 N VAL A 111 1.620 -3.715 2.541 1.00 0.00 N ATOM 1826 CA VAL A 111 1.039 -4.659 3.480 1.00 0.00 C ATOM 1827 C VAL A 111 1.540 -6.068 3.156 1.00 0.00 C ATOM 1828 O VAL A 111 1.447 -6.516 2.014 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.487 -4.547 3.457 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -0.934 -3.105 3.702 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.056 -5.082 2.142 1.00 0.00 C ATOM 0 H VAL A 111 1.932 -4.126 1.661 1.00 0.00 H new ATOM 0 HA VAL A 111 1.354 -4.428 4.498 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.881 -5.162 4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.023 -3.053 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.574 -2.773 4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.525 -2.460 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.142 -4.991 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.651 -4.507 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.781 -6.130 2.026 1.00 0.00 H new ATOM 1841 N ASP A 112 2.060 -6.727 4.181 1.00 0.00 N ATOM 1842 CA ASP A 112 2.575 -8.076 4.019 1.00 0.00 C ATOM 1843 C ASP A 112 1.672 -9.056 4.769 1.00 0.00 C ATOM 1844 O ASP A 112 1.110 -8.716 5.809 1.00 0.00 O ATOM 1845 CB ASP A 112 3.988 -8.198 4.595 1.00 0.00 C ATOM 1846 CG ASP A 112 4.577 -9.610 4.568 1.00 0.00 C ATOM 1847 OD1 ASP A 112 4.797 -10.112 3.445 1.00 0.00 O ATOM 1848 OD2 ASP A 112 4.793 -10.156 5.672 1.00 0.00 O ATOM 0 H ASP A 112 2.136 -6.352 5.127 1.00 0.00 H new ATOM 0 HA ASP A 112 2.599 -8.302 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.650 -7.534 4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.976 -7.845 5.626 1.00 0.00 H new ATOM 1853 N TRP A 113 1.560 -10.253 4.213 1.00 0.00 N ATOM 1854 CA TRP A 113 0.734 -11.285 4.817 1.00 0.00 C ATOM 1855 C TRP A 113 1.619 -12.506 5.079 1.00 0.00 C ATOM 1856 O TRP A 113 1.126 -13.561 5.474 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.477 -11.602 3.938 1.00 0.00 C ATOM 1858 CG TRP A 113 -1.727 -12.006 4.723 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -2.731 -11.221 5.135 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.066 -13.333 5.176 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -3.690 -11.942 5.818 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.272 -13.268 5.843 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.377 -14.550 5.026 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -3.894 -14.384 6.414 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -2.012 -15.656 5.602 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -3.226 -15.607 6.277 1.00 0.00 C ATOM 0 H TRP A 113 2.028 -10.532 3.350 1.00 0.00 H new ATOM 0 HA TRP A 113 0.323 -10.943 5.767 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.710 -10.729 3.329 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.215 -12.408 3.253 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.784 -10.157 4.955 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.547 -11.571 6.228 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.433 -14.625 4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.838 -14.306 6.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.524 -16.616 5.516 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -3.652 -16.508 6.694 1.00 0.00 H new ATOM 1877 N GLU A 114 2.911 -12.321 4.848 1.00 0.00 N ATOM 1878 CA GLU A 114 3.869 -13.394 5.054 1.00 0.00 C ATOM 1879 C GLU A 114 4.389 -13.372 6.492 1.00 0.00 C ATOM 1880 O GLU A 114 4.438 -14.407 7.154 1.00 0.00 O ATOM 1881 CB GLU A 114 5.021 -13.299 4.052 1.00 0.00 C ATOM 1882 CG GLU A 114 5.268 -14.647 3.371 1.00 0.00 C ATOM 1883 CD GLU A 114 6.193 -15.526 4.215 1.00 0.00 C ATOM 1884 OE1 GLU A 114 7.362 -15.118 4.389 1.00 0.00 O ATOM 1885 OE2 GLU A 114 5.711 -16.587 4.668 1.00 0.00 O ATOM 0 H GLU A 114 3.316 -11.444 4.520 1.00 0.00 H new ATOM 0 HA GLU A 114 3.363 -14.345 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.792 -12.544 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.927 -12.975 4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.318 -15.158 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.710 -14.486 2.388 1.00 0.00 H new ATOM 1892 N ASN A 115 4.765 -12.181 6.934 1.00 0.00 N ATOM 1893 CA ASN A 115 5.280 -12.010 8.282 1.00 0.00 C ATOM 1894 C ASN A 115 4.327 -11.117 9.078 1.00 0.00 C ATOM 1895 O ASN A 115 4.724 -10.510 10.072 1.00 0.00 O ATOM 1896 CB ASN A 115 6.655 -11.339 8.265 1.00 0.00 C ATOM 1897 CG ASN A 115 7.739 -12.298 8.760 1.00 0.00 C ATOM 1898 OD1 ASN A 115 8.360 -12.095 9.791 1.00 0.00 O ATOM 1899 ND2 ASN A 115 7.931 -13.351 7.971 1.00 0.00 N ATOM 0 H ASN A 115 4.723 -11.324 6.382 1.00 0.00 H new ATOM 0 HA ASN A 115 5.366 -12.996 8.738 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.890 -11.010 7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.637 -10.449 8.894 1.00 0.00 H new ATOM 0 HD21 ASN A 115 8.633 -14.050 8.215 1.00 0.00 H new ATOM 0 HD22 ASN A 115 7.376 -13.460 7.122 1.00 0.00 H new ATOM 1906 N LYS A 116 3.088 -11.064 8.611 1.00 0.00 N ATOM 1907 CA LYS A 116 2.075 -10.254 9.268 1.00 0.00 C ATOM 1908 C LYS A 116 2.589 -8.820 9.413 1.00 0.00 C ATOM 1909 O LYS A 116 2.611 -8.273 10.514 1.00 0.00 O ATOM 1910 CB LYS A 116 1.654 -10.893 10.593 1.00 0.00 C ATOM 1911 CG LYS A 116 2.804 -10.870 11.602 1.00 0.00 C ATOM 1912 CD LYS A 116 2.281 -11.028 13.032 1.00 0.00 C ATOM 1913 CE LYS A 116 2.181 -12.505 13.418 1.00 0.00 C ATOM 1914 NZ LYS A 116 2.147 -12.655 14.890 1.00 0.00 N ATOM 0 H LYS A 116 2.763 -11.568 7.786 1.00 0.00 H new ATOM 0 HA LYS A 116 1.171 -10.209 8.661 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.796 -10.359 11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.337 -11.922 10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 116 3.506 -11.673 11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.352 -9.932 11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.945 -10.511 13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 116 1.301 -10.558 13.119 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.283 -12.941 12.981 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.031 -13.052 13.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.079 -13.664 15.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.016 -12.257 15.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.322 -12.150 15.271 1.00 0.00 H new ATOM 1928 N LEU A 117 2.990 -8.253 8.285 1.00 0.00 N ATOM 1929 CA LEU A 117 3.503 -6.893 8.272 1.00 0.00 C ATOM 1930 C LEU A 117 2.500 -5.981 7.562 1.00 0.00 C ATOM 1931 O LEU A 117 1.934 -6.355 6.536 1.00 0.00 O ATOM 1932 CB LEU A 117 4.906 -6.855 7.663 1.00 0.00 C ATOM 1933 CG LEU A 117 5.964 -6.094 8.464 1.00 0.00 C ATOM 1934 CD1 LEU A 117 5.354 -5.464 9.718 1.00 0.00 C ATOM 1935 CD2 LEU A 117 7.154 -6.996 8.797 1.00 0.00 C ATOM 0 H LEU A 117 2.970 -8.710 7.373 1.00 0.00 H new ATOM 0 HA LEU A 117 3.612 -6.518 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.250 -7.880 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.838 -6.408 6.671 1.00 0.00 H new ATOM 0 HG LEU A 117 6.341 -5.280 7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.127 -4.929 10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.567 -4.768 9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.933 -6.246 10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.891 -6.430 9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.812 -7.845 9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.607 -7.356 7.873 1.00 0.00 H new ATOM 1947 N VAL A 118 2.310 -4.803 8.137 1.00 0.00 N ATOM 1948 CA VAL A 118 1.385 -3.835 7.572 1.00 0.00 C ATOM 1949 C VAL A 118 1.874 -2.421 7.894 1.00 0.00 C ATOM 1950 O VAL A 118 2.427 -2.181 8.966 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.032 -4.107 8.081 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.998 -3.011 7.625 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.519 -5.487 7.634 1.00 0.00 C ATOM 0 H VAL A 118 2.781 -4.497 8.988 1.00 0.00 H new ATOM 0 HA VAL A 118 1.350 -3.928 6.487 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.004 -4.098 9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.998 -3.228 8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.666 -2.048 8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.019 -2.975 6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.529 -5.656 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.523 -5.536 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.147 -6.254 8.029 1.00 0.00 H new ATOM 1963 N GLY A 119 1.652 -1.523 6.945 1.00 0.00 N ATOM 1964 CA GLY A 119 2.064 -0.140 7.114 1.00 0.00 C ATOM 1965 C GLY A 119 1.800 0.670 5.842 1.00 0.00 C ATOM 1966 O GLY A 119 1.958 0.160 4.734 1.00 0.00 O ATOM 0 H GLY A 119 1.193 -1.726 6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.525 0.304 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.125 -0.100 7.361 1.00 0.00 H new ATOM 1970 N ASN A 120 1.404 1.917 6.045 1.00 0.00 N ATOM 1971 CA ASN A 120 1.118 2.802 4.928 1.00 0.00 C ATOM 1972 C ASN A 120 2.371 3.612 4.590 1.00 0.00 C ATOM 1973 O ASN A 120 3.370 3.543 5.304 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.001 3.786 5.278 1.00 0.00 C ATOM 1975 CG ASN A 120 -1.371 3.207 4.920 1.00 0.00 C ATOM 1976 OD1 ASN A 120 -2.289 3.911 4.531 1.00 0.00 O ATOM 1977 ND2 ASN A 120 -1.459 1.889 5.073 1.00 0.00 N ATOM 0 H ASN A 120 1.274 2.336 6.966 1.00 0.00 H new ATOM 0 HA ASN A 120 0.808 2.188 4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 120 0.033 4.018 6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 120 0.153 4.723 4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -2.333 1.408 4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.652 1.359 5.403 1.00 0.00 H new ATOM 1984 N GLU A 121 2.277 4.361 3.502 1.00 0.00 N ATOM 1985 CA GLU A 121 3.391 5.183 3.060 1.00 0.00 C ATOM 1986 C GLU A 121 4.384 4.344 2.254 1.00 0.00 C ATOM 1987 O GLU A 121 4.598 3.170 2.555 1.00 0.00 O ATOM 1988 CB GLU A 121 4.080 5.856 4.249 1.00 0.00 C ATOM 1989 CG GLU A 121 4.206 7.365 4.028 1.00 0.00 C ATOM 1990 CD GLU A 121 5.656 7.824 4.195 1.00 0.00 C ATOM 1991 OE1 GLU A 121 6.095 7.906 5.363 1.00 0.00 O ATOM 1992 OE2 GLU A 121 6.293 8.083 3.151 1.00 0.00 O ATOM 0 H GLU A 121 1.446 4.416 2.913 1.00 0.00 H new ATOM 0 HA GLU A 121 3.003 5.970 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.512 5.664 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.069 5.422 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.853 7.621 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.569 7.894 4.737 1.00 0.00 H new ATOM 1999 N PRO A 122 4.978 4.994 1.218 1.00 0.00 N ATOM 2000 CA PRO A 122 5.943 4.320 0.366 1.00 0.00 C ATOM 2001 C PRO A 122 7.286 4.158 1.081 1.00 0.00 C ATOM 2002 O PRO A 122 7.914 3.103 0.998 1.00 0.00 O ATOM 2003 CB PRO A 122 6.035 5.182 -0.883 1.00 0.00 C ATOM 2004 CG PRO A 122 5.476 6.541 -0.493 1.00 0.00 C ATOM 2005 CD PRO A 122 4.749 6.383 0.832 1.00 0.00 C ATOM 0 HA PRO A 122 5.642 3.304 0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.067 5.267 -1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.464 4.745 -1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.279 7.273 -0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 122 4.795 6.908 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.139 7.072 1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 122 3.685 6.594 0.727 1.00 0.00 H new ATOM 2013 N ALA A 123 7.688 5.219 1.765 1.00 0.00 N ATOM 2014 CA ALA A 123 8.945 5.207 2.494 1.00 0.00 C ATOM 2015 C ALA A 123 8.883 4.144 3.592 1.00 0.00 C ATOM 2016 O ALA A 123 9.913 3.613 4.006 1.00 0.00 O ATOM 2017 CB ALA A 123 9.226 6.605 3.050 1.00 0.00 C ATOM 0 H ALA A 123 7.166 6.093 1.830 1.00 0.00 H new ATOM 0 HA ALA A 123 9.771 4.948 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.169 6.596 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.290 7.318 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.419 6.898 3.722 1.00 0.00 H new ATOM 2023 N ASP A 124 7.666 3.865 4.034 1.00 0.00 N ATOM 2024 CA ASP A 124 7.456 2.875 5.077 1.00 0.00 C ATOM 2025 C ASP A 124 8.062 1.541 4.636 1.00 0.00 C ATOM 2026 O ASP A 124 8.779 0.898 5.401 1.00 0.00 O ATOM 2027 CB ASP A 124 5.964 2.655 5.335 1.00 0.00 C ATOM 2028 CG ASP A 124 5.475 3.100 6.715 1.00 0.00 C ATOM 2029 OD1 ASP A 124 6.020 4.108 7.213 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.566 2.421 7.240 1.00 0.00 O ATOM 0 H ASP A 124 6.814 4.307 3.689 1.00 0.00 H new ATOM 0 HA ASP A 124 7.929 3.239 5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.396 3.191 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.741 1.595 5.211 1.00 0.00 H new ATOM 2035 N ILE A 125 7.750 1.164 3.405 1.00 0.00 N ATOM 2036 CA ILE A 125 8.254 -0.082 2.853 1.00 0.00 C ATOM 2037 C ILE A 125 9.744 -0.212 3.177 1.00 0.00 C ATOM 2038 O ILE A 125 10.178 -1.227 3.720 1.00 0.00 O ATOM 2039 CB ILE A 125 7.940 -0.173 1.359 1.00 0.00 C ATOM 2040 CG1 ILE A 125 6.750 -1.100 1.104 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.176 -0.595 0.563 1.00 0.00 C ATOM 2042 CD1 ILE A 125 6.913 -1.851 -0.219 1.00 0.00 C ATOM 0 H ILE A 125 7.154 1.700 2.774 1.00 0.00 H new ATOM 0 HA ILE A 125 7.751 -0.933 3.313 1.00 0.00 H new ATOM 0 HB ILE A 125 7.656 0.819 1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.659 -1.814 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.829 -0.518 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.925 -0.652 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.970 0.137 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.515 -1.572 0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.054 -2.503 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.979 -1.135 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 125 7.822 -2.451 -0.187 1.00 0.00 H new ATOM 2054 N ASP A 126 10.485 0.829 2.830 1.00 0.00 N ATOM 2055 CA ASP A 126 11.917 0.844 3.077 1.00 0.00 C ATOM 2056 C ASP A 126 12.181 0.483 4.541 1.00 0.00 C ATOM 2057 O ASP A 126 13.006 -0.382 4.831 1.00 0.00 O ATOM 2058 CB ASP A 126 12.506 2.232 2.819 1.00 0.00 C ATOM 2059 CG ASP A 126 13.694 2.606 3.708 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.572 1.734 3.879 1.00 0.00 O ATOM 2061 OD2 ASP A 126 13.696 3.757 4.198 1.00 0.00 O ATOM 0 H ASP A 126 10.121 1.669 2.380 1.00 0.00 H new ATOM 0 HA ASP A 126 12.383 0.124 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.819 2.289 1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.720 2.975 2.957 1.00 0.00 H new ATOM 2066 N LYS A 127 11.466 1.164 5.423 1.00 0.00 N ATOM 2067 CA LYS A 127 11.613 0.926 6.849 1.00 0.00 C ATOM 2068 C LYS A 127 11.375 -0.557 7.141 1.00 0.00 C ATOM 2069 O LYS A 127 12.243 -1.232 7.692 1.00 0.00 O ATOM 2070 CB LYS A 127 10.703 1.863 7.646 1.00 0.00 C ATOM 2071 CG LYS A 127 11.416 3.178 7.967 1.00 0.00 C ATOM 2072 CD LYS A 127 11.808 3.916 6.686 1.00 0.00 C ATOM 2073 CE LYS A 127 10.679 4.835 6.215 1.00 0.00 C ATOM 2074 NZ LYS A 127 10.504 5.965 7.155 1.00 0.00 N ATOM 0 H LYS A 127 10.783 1.881 5.178 1.00 0.00 H new ATOM 0 HA LYS A 127 12.629 1.156 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.796 2.067 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.395 1.377 8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.765 3.811 8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.307 2.977 8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.710 4.503 6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.044 3.194 5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.903 5.215 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.750 4.270 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.059 6.764 6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.898 5.668 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 11.432 6.259 7.522 1.00 0.00 H new ATOM 2088 N TYR A 128 10.193 -1.020 6.760 1.00 0.00 N ATOM 2089 CA TYR A 128 9.830 -2.411 6.974 1.00 0.00 C ATOM 2090 C TYR A 128 10.551 -3.325 5.981 1.00 0.00 C ATOM 2091 O TYR A 128 11.589 -3.901 6.302 1.00 0.00 O ATOM 2092 CB TYR A 128 8.323 -2.496 6.727 1.00 0.00 C ATOM 2093 CG TYR A 128 7.474 -1.872 7.836 1.00 0.00 C ATOM 2094 CD1 TYR A 128 7.246 -0.511 7.848 1.00 0.00 C ATOM 2095 CD2 TYR A 128 6.935 -2.671 8.824 1.00 0.00 C ATOM 2096 CE1 TYR A 128 6.447 0.076 8.892 1.00 0.00 C ATOM 2097 CE2 TYR A 128 6.136 -2.083 9.868 1.00 0.00 C ATOM 2098 CZ TYR A 128 5.931 -0.739 9.851 1.00 0.00 C ATOM 2099 OH TYR A 128 5.177 -0.184 10.837 1.00 0.00 O ATOM 0 H TYR A 128 9.475 -0.457 6.305 1.00 0.00 H new ATOM 0 HA TYR A 128 10.107 -2.730 7.979 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.091 -2.001 5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.042 -3.543 6.614 1.00 0.00 H new ATOM 0 HD1 TYR A 128 7.667 0.114 7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 128 7.112 -3.736 8.814 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.261 1.140 8.913 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.709 -2.696 10.648 1.00 0.00 H new ATOM 0 HH TYR A 128 4.874 -0.885 11.451 1.00 0.00 H new ATOM 2109 N ILE A 129 9.971 -3.430 4.794 1.00 0.00 N ATOM 2110 CA ILE A 129 10.545 -4.264 3.752 1.00 0.00 C ATOM 2111 C ILE A 129 10.669 -3.449 2.463 1.00 0.00 C ATOM 2112 O ILE A 129 9.736 -3.402 1.662 1.00 0.00 O ATOM 2113 CB ILE A 129 9.735 -5.552 3.590 1.00 0.00 C ATOM 2114 CG1 ILE A 129 8.236 -5.252 3.525 1.00 0.00 C ATOM 2115 CG2 ILE A 129 10.071 -6.554 4.696 1.00 0.00 C ATOM 2116 CD1 ILE A 129 7.679 -4.935 4.914 1.00 0.00 C ATOM 0 H ILE A 129 9.110 -2.951 4.531 1.00 0.00 H new ATOM 0 HA ILE A 129 11.551 -4.580 4.028 1.00 0.00 H new ATOM 0 HB ILE A 129 10.013 -6.013 2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.059 -4.409 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 129 7.708 -6.108 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 129 9.482 -7.460 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 129 11.132 -6.801 4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.839 -6.116 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 129 6.612 -4.726 4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 129 7.836 -5.789 5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.192 -4.064 5.322 1.00 0.00 H new ATOM 2128 N ILE A 130 11.828 -2.828 2.303 1.00 0.00 N ATOM 2129 CA ILE A 130 12.086 -2.017 1.125 1.00 0.00 C ATOM 2130 C ILE A 130 11.807 -2.847 -0.130 1.00 0.00 C ATOM 2131 O ILE A 130 11.026 -3.796 -0.091 1.00 0.00 O ATOM 2132 CB ILE A 130 13.499 -1.433 1.175 1.00 0.00 C ATOM 2133 CG1 ILE A 130 14.457 -2.240 0.296 1.00 0.00 C ATOM 2134 CG2 ILE A 130 13.997 -1.326 2.618 1.00 0.00 C ATOM 2135 CD1 ILE A 130 15.626 -2.787 1.119 1.00 0.00 C ATOM 0 H ILE A 130 12.599 -2.870 2.969 1.00 0.00 H new ATOM 0 HA ILE A 130 11.413 -1.160 1.097 1.00 0.00 H new ATOM 0 HB ILE A 130 13.465 -0.422 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 130 13.920 -3.065 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 130 14.837 -1.610 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.004 -0.908 2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.330 -0.677 3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.012 -2.317 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.292 -3.357 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 130 16.175 -1.958 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 130 15.244 -3.436 1.907 1.00 0.00 H new ATOM 2147 N GLN A 131 12.462 -2.458 -1.215 1.00 0.00 N ATOM 2148 CA GLN A 131 12.295 -3.154 -2.480 1.00 0.00 C ATOM 2149 C GLN A 131 12.557 -4.651 -2.300 1.00 0.00 C ATOM 2150 O GLN A 131 12.409 -5.427 -3.243 1.00 0.00 O ATOM 2151 CB GLN A 131 13.207 -2.563 -3.556 1.00 0.00 C ATOM 2152 CG GLN A 131 14.576 -2.200 -2.975 1.00 0.00 C ATOM 2153 CD GLN A 131 15.620 -2.050 -4.084 1.00 0.00 C ATOM 2154 OE1 GLN A 131 15.955 -0.958 -4.513 1.00 0.00 O ATOM 2155 NE2 GLN A 131 16.112 -3.204 -4.523 1.00 0.00 N ATOM 0 H GLN A 131 13.109 -1.670 -1.244 1.00 0.00 H new ATOM 0 HA GLN A 131 11.265 -3.022 -2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 131 13.331 -3.280 -4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 131 12.742 -1.675 -3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.501 -1.269 -2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.894 -2.972 -2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 131 15.788 -4.083 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 131 16.814 -3.211 -5.263 1.00 0.00 H new ATOM 2164 N ARG A 132 12.941 -5.010 -1.085 1.00 0.00 N ATOM 2165 CA ARG A 132 13.225 -6.400 -0.770 1.00 0.00 C ATOM 2166 C ARG A 132 12.421 -6.842 0.454 1.00 0.00 C ATOM 2167 O ARG A 132 11.525 -6.129 0.903 1.00 0.00 O ATOM 2168 CB ARG A 132 14.715 -6.610 -0.496 1.00 0.00 C ATOM 2169 CG ARG A 132 15.232 -5.597 0.528 1.00 0.00 C ATOM 2170 CD ARG A 132 14.883 -6.031 1.953 1.00 0.00 C ATOM 2171 NE ARG A 132 15.470 -5.085 2.928 1.00 0.00 N ATOM 2172 CZ ARG A 132 14.875 -4.719 4.072 1.00 0.00 C ATOM 2173 NH1 ARG A 132 13.672 -5.217 4.390 1.00 0.00 N ATOM 2174 NH2 ARG A 132 15.482 -3.855 4.896 1.00 0.00 N ATOM 0 H ARG A 132 13.062 -4.363 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 132 12.938 -7.000 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 132 14.882 -7.622 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 132 15.277 -6.512 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.313 -5.494 0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 132 14.799 -4.617 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 132 13.801 -6.068 2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 132 15.259 -7.037 2.138 1.00 0.00 H new ATOM 0 HE ARG A 132 16.385 -4.686 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 132 13.210 -5.874 3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 132 13.219 -4.939 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 132 16.397 -3.475 4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 132 15.029 -3.576 5.767 1.00 0.00 H new ATOM 2188 N LYS A 133 12.770 -8.016 0.960 1.00 0.00 N ATOM 2189 CA LYS A 133 12.092 -8.561 2.124 1.00 0.00 C ATOM 2190 C LYS A 133 10.601 -8.229 2.042 1.00 0.00 C ATOM 2191 O LYS A 133 9.805 -9.043 1.577 1.00 0.00 O ATOM 2192 CB LYS A 133 12.761 -8.074 3.411 1.00 0.00 C ATOM 2193 CG LYS A 133 12.956 -9.227 4.398 1.00 0.00 C ATOM 2194 CD LYS A 133 12.587 -8.799 5.820 1.00 0.00 C ATOM 2195 CE LYS A 133 13.714 -9.128 6.801 1.00 0.00 C ATOM 2196 NZ LYS A 133 13.165 -9.726 8.039 1.00 0.00 N ATOM 0 H LYS A 133 13.514 -8.605 0.585 1.00 0.00 H new ATOM 0 HA LYS A 133 12.177 -9.648 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 133 13.726 -7.625 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 133 12.151 -7.296 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 133 12.340 -10.075 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 133 13.993 -9.561 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 133 12.383 -7.728 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 133 11.672 -9.303 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 133 14.418 -9.819 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.270 -8.222 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 13.619 -9.289 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 12.139 -9.561 8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 13.351 -10.749 8.042 1.00 0.00 H new TER 2210 LYS A 133