USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1592 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: B 55 LYS NZ :NH3+ -134:sc= -3.92! (180deg=0) USER MOD Set 1.2: Y 105 HIS : no HE2:sc= -5.94! C(o=-9.9!,f=-19!) USER MOD Set 2.1: B 57 MET CE :methyl -114:sc= -4.12! (180deg=-7.11!) USER MOD Set 2.2: B 68 CYS SG : rot -100:sc= 0.694 USER MOD Set 3.1: A 81 THR OG1 : rot 78:sc= 0.316 USER MOD Set 3.2: B 7 MET CE :methyl 167:sc= -0.118 (180deg=-0.737) USER MOD Set 4.1: A 78 SER OG : rot -16:sc= 0.156 USER MOD Set 4.2: B 78 SER OG : rot -16:sc= 0.0185 USER MOD Set 5.1: A 57 MET CE :methyl -108:sc= -4.77! (180deg=-8.04!) USER MOD Set 5.2: A 68 CYS SG : rot -99:sc= 0.723 USER MOD Set 6.1: A 55 LYS NZ :NH3+ -118:sc= -2.54! (180deg=0) USER MOD Set 6.2: X 105 HIS : no HE2:sc= -4.85! C(o=-7.4!,f=-16!) USER MOD Set 7.1: A 7 MET CE :methyl 168:sc= -0.0708 (180deg=-0.637) USER MOD Set 7.2: B 81 THR OG1 : rot 79:sc= 0.37 USER MOD Single : A 0 MET CE :methyl -152:sc= -0.25 (180deg=-1.27) USER MOD Single : A 0 MET N :NH3+ -175:sc= -1.6 (180deg=-1.9) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=-0.041) USER MOD Single : A 16 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.2) USER MOD Single : A 17 TYR OH : rot 0:sc= -0.075 USER MOD Single : A 18 SER OG : rot -111:sc= 0.651 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -1.09 (180deg=-1.81) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= -0.201 (180deg=-1.13) USER MOD Single : A 29 LYS NZ :NH3+ 141:sc= -5.27! (180deg=-7.79!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0295 (180deg=-0.463) USER MOD Single : A 37 ASN : amide:sc= 0.732 K(o=0.73,f=-0.79) USER MOD Single : A 38 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.18) USER MOD Single : A 41 SER OG : rot -19:sc= 0.148 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 48 LYS NZ :NH3+ -115:sc= -0.694 (180deg=-2.05!) USER MOD Single : A 50 GLN : amide:sc= -4.16! C(o=-4.2!,f=-4.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 74 MET CE :methyl -111:sc= -2.16 (180deg=-4.73!) USER MOD Single : A 79 MET CE :methyl -155:sc= -0.302 (180deg=-1.74!) USER MOD Single : A 82 THR OG1 : rot -43:sc= -0.0746 USER MOD Single : A 84 CYS SG : rot 60:sc= -0.242 USER MOD Single : A 85 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.7!) USER MOD Single : B 0 MET CE :methyl -151:sc= -0.278 (180deg=-1.3!) USER MOD Single : B 0 MET N :NH3+ -172:sc= -2.12 (180deg=-2.65) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc=-0.00291 X(o=-0.0029,f=-0.0059) USER MOD Single : B 16 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.27) USER MOD Single : B 17 TYR OH : rot 0:sc= -0.0496 USER MOD Single : B 18 SER OG : rot -109:sc= 0.661 USER MOD Single : B 24 LYS NZ :NH3+ -148:sc= -0.88 (180deg=-1.45) USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 143:sc= -0.212 (180deg=-1.18) USER MOD Single : B 29 LYS NZ :NH3+ 136:sc= -4.85! (180deg=-7.87!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -163:sc= -0.0239 (180deg=-0.437) USER MOD Single : B 37 ASN : amide:sc= 0.875 K(o=0.87,f=-0.67) USER MOD Single : B 38 ASN : amide:sc= -2.01! K(o=-2!,f=-0.18) USER MOD Single : B 41 SER OG : rot -19:sc= 0.133 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : B 48 LYS NZ :NH3+ 142:sc= -0.129 (180deg=-0.752) USER MOD Single : B 50 GLN : amide:sc= -4.24! C(o=-4.2!,f=-4.6!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc=-0.00687 K(o=-0.0069,f=-1.6!) USER MOD Single : B 74 MET CE :methyl -109:sc= -2.14 (180deg=-4.79!) USER MOD Single : B 79 MET CE :methyl -151:sc= -0.204 (180deg=-1.88!) USER MOD Single : B 82 THR OG1 : rot -46:sc= -0.187 USER MOD Single : B 84 CYS SG : rot 61:sc= -0.229 USER MOD Single : B 85 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.5!) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ -161:sc= -0.953 (180deg=-1.48) USER MOD Single : X 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 111 LYS NZ :NH3+ -145:sc= -4.57! (180deg=-8.79!) USER MOD Single : X 112 THR OG1 : rot -14:sc= -0.668 USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ -154:sc= -1.13 (180deg=-1.71) USER MOD Single : Y 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : Y 111 LYS NZ :NH3+ -148:sc= -4.77! (180deg=-8.99!) USER MOD Single : Y 112 THR OG1 : rot -14:sc= -0.0516 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.936 -2.011 -13.962 1.00 0.00 N ATOM 2 CA MET A 0 0.676 -2.765 -13.720 1.00 0.00 C ATOM 3 C MET A 0 -0.512 -1.836 -13.958 1.00 0.00 C ATOM 4 O MET A 0 -1.625 -2.129 -13.572 1.00 0.00 O ATOM 5 CB MET A 0 0.641 -3.266 -12.275 1.00 0.00 C ATOM 6 CG MET A 0 1.835 -4.187 -12.019 1.00 0.00 C ATOM 7 SD MET A 0 1.707 -5.664 -13.062 1.00 0.00 S ATOM 8 CE MET A 0 0.228 -6.378 -12.298 1.00 0.00 C ATOM 0 H1 MET A 0 2.747 -2.657 -13.885 1.00 0.00 H new ATOM 0 H2 MET A 0 1.914 -1.595 -14.915 1.00 0.00 H new ATOM 0 H3 MET A 0 2.028 -1.254 -13.255 1.00 0.00 H new ATOM 0 HA MET A 0 0.627 -3.617 -14.398 1.00 0.00 H new ATOM 0 HB2 MET A 0 0.667 -2.421 -11.586 1.00 0.00 H new ATOM 0 HB3 MET A 0 -0.290 -3.801 -12.088 1.00 0.00 H new ATOM 0 HG2 MET A 0 2.765 -3.660 -12.232 1.00 0.00 H new ATOM 0 HG3 MET A 0 1.865 -4.474 -10.968 1.00 0.00 H new ATOM 0 HE1 MET A 0 0.246 -7.462 -12.414 1.00 0.00 H new ATOM 0 HE2 MET A 0 0.209 -6.126 -11.238 1.00 0.00 H new ATOM 0 HE3 MET A 0 -0.662 -5.976 -12.782 1.00 0.00 H new ATOM 20 N SER A 1 -0.282 -0.715 -14.585 1.00 0.00 N ATOM 21 CA SER A 1 -1.404 0.235 -14.843 1.00 0.00 C ATOM 22 C SER A 1 -2.006 0.681 -13.503 1.00 0.00 C ATOM 23 O SER A 1 -3.108 1.189 -13.439 1.00 0.00 O ATOM 24 CB SER A 1 -2.477 -0.463 -15.687 1.00 0.00 C ATOM 25 OG SER A 1 -1.846 -1.275 -16.669 1.00 0.00 O ATOM 0 H SER A 1 0.630 -0.415 -14.929 1.00 0.00 H new ATOM 0 HA SER A 1 -1.034 1.107 -15.382 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.117 -1.073 -15.050 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.117 0.277 -16.167 1.00 0.00 H new ATOM 0 HG SER A 1 -2.529 -1.724 -17.210 1.00 0.00 H new ATOM 31 N GLU A 2 -1.278 0.496 -12.439 1.00 0.00 N ATOM 32 CA GLU A 2 -1.770 0.899 -11.092 1.00 0.00 C ATOM 33 C GLU A 2 -1.701 2.424 -10.970 1.00 0.00 C ATOM 34 O GLU A 2 -1.785 2.979 -9.893 1.00 0.00 O ATOM 35 CB GLU A 2 -0.889 0.240 -10.022 1.00 0.00 C ATOM 36 CG GLU A 2 0.560 0.719 -10.172 1.00 0.00 C ATOM 37 CD GLU A 2 1.438 0.028 -9.126 1.00 0.00 C ATOM 38 OE1 GLU A 2 0.897 -0.418 -8.128 1.00 0.00 O ATOM 39 OE2 GLU A 2 2.636 -0.049 -9.345 1.00 0.00 O ATOM 0 H GLU A 2 -0.348 0.076 -12.445 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.802 0.577 -10.953 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.262 0.488 -9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.935 -0.845 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.926 0.496 -11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.611 1.801 -10.048 1.00 0.00 H new ATOM 46 N LEU A 3 -1.525 3.096 -12.072 1.00 0.00 N ATOM 47 CA LEU A 3 -1.419 4.582 -12.049 1.00 0.00 C ATOM 48 C LEU A 3 -2.684 5.209 -11.472 1.00 0.00 C ATOM 49 O LEU A 3 -2.625 6.206 -10.795 1.00 0.00 O ATOM 50 CB LEU A 3 -1.200 5.100 -13.478 1.00 0.00 C ATOM 51 CG LEU A 3 -1.111 6.633 -13.488 1.00 0.00 C ATOM 52 CD1 LEU A 3 0.022 7.103 -12.563 1.00 0.00 C ATOM 53 CD2 LEU A 3 -0.836 7.100 -14.925 1.00 0.00 C ATOM 0 H LEU A 3 -1.449 2.675 -12.998 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.575 4.859 -11.417 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.285 4.674 -13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.019 4.773 -14.119 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.049 7.057 -13.131 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.076 8.192 -12.578 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.174 6.763 -11.546 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.969 6.688 -12.908 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.770 8.188 -14.948 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.104 6.672 -15.273 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.647 6.772 -15.576 1.00 0.00 H new ATOM 65 N GLU A 4 -3.823 4.666 -11.756 1.00 0.00 N ATOM 66 CA GLU A 4 -5.083 5.276 -11.227 1.00 0.00 C ATOM 67 C GLU A 4 -5.071 5.283 -9.694 1.00 0.00 C ATOM 68 O GLU A 4 -5.519 6.223 -9.068 1.00 0.00 O ATOM 69 CB GLU A 4 -6.294 4.495 -11.749 1.00 0.00 C ATOM 70 CG GLU A 4 -7.589 5.165 -11.281 1.00 0.00 C ATOM 71 CD GLU A 4 -8.788 4.414 -11.869 1.00 0.00 C ATOM 72 OE1 GLU A 4 -8.565 3.473 -12.613 1.00 0.00 O ATOM 73 OE2 GLU A 4 -9.907 4.798 -11.571 1.00 0.00 O ATOM 0 H GLU A 4 -3.947 3.830 -12.328 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.150 6.308 -11.573 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.269 4.454 -12.838 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.256 3.466 -11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.641 5.161 -10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.608 6.208 -11.597 1.00 0.00 H new ATOM 80 N LYS A 5 -4.576 4.246 -9.085 1.00 0.00 N ATOM 81 CA LYS A 5 -4.552 4.200 -7.589 1.00 0.00 C ATOM 82 C LYS A 5 -3.538 5.208 -7.057 1.00 0.00 C ATOM 83 O LYS A 5 -3.746 5.823 -6.034 1.00 0.00 O ATOM 84 CB LYS A 5 -4.194 2.776 -7.117 1.00 0.00 C ATOM 85 CG LYS A 5 -5.465 1.924 -6.973 1.00 0.00 C ATOM 86 CD LYS A 5 -6.194 1.810 -8.320 1.00 0.00 C ATOM 87 CE LYS A 5 -5.306 1.095 -9.349 1.00 0.00 C ATOM 88 NZ LYS A 5 -6.171 0.462 -10.387 1.00 0.00 N ATOM 0 H LYS A 5 -4.186 3.427 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.538 4.459 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.515 2.310 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.670 2.823 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.204 0.930 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.127 2.371 -6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.127 1.261 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.457 2.803 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.622 1.805 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.695 0.338 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.575 -0.024 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.807 -0.227 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.735 1.195 -10.862 1.00 0.00 H new ATOM 102 N ALA A 6 -2.435 5.364 -7.725 1.00 0.00 N ATOM 103 CA ALA A 6 -1.404 6.319 -7.240 1.00 0.00 C ATOM 104 C ALA A 6 -1.911 7.762 -7.341 1.00 0.00 C ATOM 105 O ALA A 6 -1.686 8.562 -6.460 1.00 0.00 O ATOM 106 CB ALA A 6 -0.145 6.158 -8.089 1.00 0.00 C ATOM 0 H ALA A 6 -2.201 4.872 -8.587 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.184 6.105 -6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.619 6.854 -7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.226 5.137 -7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.380 6.368 -9.132 1.00 0.00 H new ATOM 112 N MET A 7 -2.592 8.102 -8.399 1.00 0.00 N ATOM 113 CA MET A 7 -3.098 9.496 -8.532 1.00 0.00 C ATOM 114 C MET A 7 -4.084 9.775 -7.409 1.00 0.00 C ATOM 115 O MET A 7 -4.104 10.841 -6.825 1.00 0.00 O ATOM 116 CB MET A 7 -3.822 9.664 -9.870 1.00 0.00 C ATOM 117 CG MET A 7 -2.820 9.619 -11.022 1.00 0.00 C ATOM 118 SD MET A 7 -3.683 10.006 -12.565 1.00 0.00 S ATOM 119 CE MET A 7 -2.223 10.472 -13.522 1.00 0.00 C ATOM 0 H MET A 7 -2.819 7.479 -9.174 1.00 0.00 H new ATOM 0 HA MET A 7 -2.257 10.188 -8.482 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.563 8.874 -9.992 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.361 10.612 -9.884 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.016 10.334 -10.850 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.361 8.632 -11.084 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.488 10.548 -14.577 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.850 11.434 -13.171 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.449 9.715 -13.396 1.00 0.00 H new ATOM 129 N VAL A 8 -4.895 8.813 -7.100 1.00 0.00 N ATOM 130 CA VAL A 8 -5.885 8.997 -6.011 1.00 0.00 C ATOM 131 C VAL A 8 -5.135 9.220 -4.702 1.00 0.00 C ATOM 132 O VAL A 8 -5.529 10.011 -3.876 1.00 0.00 O ATOM 133 CB VAL A 8 -6.770 7.755 -5.901 1.00 0.00 C ATOM 134 CG1 VAL A 8 -7.647 7.858 -4.649 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.655 7.661 -7.146 1.00 0.00 C ATOM 0 H VAL A 8 -4.916 7.901 -7.556 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.518 9.858 -6.225 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.147 6.864 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.277 6.972 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.013 7.930 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.276 8.746 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.290 6.778 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.279 8.552 -7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.027 7.587 -8.034 1.00 0.00 H new ATOM 145 N ALA A 9 -4.071 8.497 -4.510 1.00 0.00 N ATOM 146 CA ALA A 9 -3.276 8.618 -3.252 1.00 0.00 C ATOM 147 C ALA A 9 -2.700 10.024 -3.092 1.00 0.00 C ATOM 148 O ALA A 9 -2.653 10.554 -2.006 1.00 0.00 O ATOM 149 CB ALA A 9 -2.128 7.619 -3.275 1.00 0.00 C ATOM 0 H ALA A 9 -3.710 7.817 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.943 8.414 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.549 7.709 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.527 6.608 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.485 7.824 -4.131 1.00 0.00 H new ATOM 155 N LEU A 10 -2.238 10.631 -4.148 1.00 0.00 N ATOM 156 CA LEU A 10 -1.653 11.995 -4.000 1.00 0.00 C ATOM 157 C LEU A 10 -2.726 12.911 -3.430 1.00 0.00 C ATOM 158 O LEU A 10 -2.468 13.758 -2.600 1.00 0.00 O ATOM 159 CB LEU A 10 -1.215 12.537 -5.374 1.00 0.00 C ATOM 160 CG LEU A 10 0.213 12.097 -5.711 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.228 10.610 -6.058 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.707 12.909 -6.912 1.00 0.00 C ATOM 0 H LEU A 10 -2.238 10.251 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.785 11.953 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.900 12.181 -6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.273 13.625 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 10 0.863 12.267 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.246 10.302 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.135 10.034 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.417 10.431 -6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.723 12.606 -7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.054 12.730 -7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.696 13.970 -6.663 1.00 0.00 H new ATOM 174 N ILE A 11 -3.925 12.750 -3.888 1.00 0.00 N ATOM 175 CA ILE A 11 -5.031 13.603 -3.401 1.00 0.00 C ATOM 176 C ILE A 11 -5.361 13.280 -1.935 1.00 0.00 C ATOM 177 O ILE A 11 -5.669 14.161 -1.159 1.00 0.00 O ATOM 178 CB ILE A 11 -6.256 13.388 -4.295 1.00 0.00 C ATOM 179 CG1 ILE A 11 -5.929 13.901 -5.708 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.449 14.158 -3.726 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.026 13.495 -6.708 1.00 0.00 C ATOM 0 H ILE A 11 -4.190 12.056 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.730 14.650 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.508 12.328 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.830 14.986 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.969 13.499 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.319 14.004 -4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.668 13.799 -2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.211 15.221 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.771 13.870 -7.699 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.105 12.408 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.980 13.919 -6.394 1.00 0.00 H new ATOM 193 N ASP A 12 -5.327 12.028 -1.551 1.00 0.00 N ATOM 194 CA ASP A 12 -5.670 11.668 -0.137 1.00 0.00 C ATOM 195 C ASP A 12 -4.695 12.312 0.853 1.00 0.00 C ATOM 196 O ASP A 12 -5.085 12.833 1.879 1.00 0.00 O ATOM 197 CB ASP A 12 -5.570 10.150 0.037 1.00 0.00 C ATOM 198 CG ASP A 12 -6.705 9.458 -0.720 1.00 0.00 C ATOM 199 OD1 ASP A 12 -7.688 10.118 -1.009 1.00 0.00 O ATOM 200 OD2 ASP A 12 -6.571 8.277 -0.994 1.00 0.00 O ATOM 0 H ASP A 12 -5.078 11.242 -2.151 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.680 12.027 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.607 9.796 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.619 9.893 1.095 1.00 0.00 H new ATOM 205 N VAL A 13 -3.431 12.237 0.568 1.00 0.00 N ATOM 206 CA VAL A 13 -2.406 12.789 1.494 1.00 0.00 C ATOM 207 C VAL A 13 -2.468 14.325 1.502 1.00 0.00 C ATOM 208 O VAL A 13 -2.330 14.969 2.531 1.00 0.00 O ATOM 209 CB VAL A 13 -1.021 12.256 1.041 1.00 0.00 C ATOM 210 CG1 VAL A 13 -0.262 13.284 0.185 1.00 0.00 C ATOM 211 CG2 VAL A 13 -0.181 11.878 2.266 1.00 0.00 C ATOM 0 H VAL A 13 -3.056 11.811 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.590 12.468 2.519 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.193 11.374 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.702 12.870 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.845 13.517 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.104 14.194 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.790 11.505 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.039 12.757 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.695 11.103 2.835 1.00 0.00 H new ATOM 221 N PHE A 14 -2.670 14.913 0.363 1.00 0.00 N ATOM 222 CA PHE A 14 -2.733 16.395 0.294 1.00 0.00 C ATOM 223 C PHE A 14 -3.862 16.887 1.183 1.00 0.00 C ATOM 224 O PHE A 14 -3.739 17.882 1.849 1.00 0.00 O ATOM 225 CB PHE A 14 -3.007 16.831 -1.148 1.00 0.00 C ATOM 226 CG PHE A 14 -3.185 18.332 -1.204 1.00 0.00 C ATOM 227 CD1 PHE A 14 -4.461 18.883 -1.034 1.00 0.00 C ATOM 228 CD2 PHE A 14 -2.087 19.171 -1.435 1.00 0.00 C ATOM 229 CE1 PHE A 14 -4.642 20.270 -1.094 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.269 20.560 -1.494 1.00 0.00 C ATOM 231 CZ PHE A 14 -3.546 21.108 -1.323 1.00 0.00 C ATOM 0 H PHE A 14 -2.795 14.431 -0.527 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.784 16.815 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.181 16.529 -1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.902 16.335 -1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.308 18.236 -0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.102 18.749 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.627 20.693 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.423 21.208 -1.672 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.685 22.178 -1.368 1.00 0.00 H new ATOM 241 N HIS A 15 -4.963 16.205 1.190 1.00 0.00 N ATOM 242 CA HIS A 15 -6.103 16.645 2.034 1.00 0.00 C ATOM 243 C HIS A 15 -5.740 16.544 3.515 1.00 0.00 C ATOM 244 O HIS A 15 -6.307 17.226 4.343 1.00 0.00 O ATOM 245 CB HIS A 15 -7.314 15.761 1.745 1.00 0.00 C ATOM 246 CG HIS A 15 -8.501 16.258 2.520 1.00 0.00 C ATOM 247 ND1 HIS A 15 -8.937 15.637 3.682 1.00 0.00 N ATOM 248 CD2 HIS A 15 -9.360 17.308 2.310 1.00 0.00 C ATOM 249 CE1 HIS A 15 -10.015 16.311 4.122 1.00 0.00 C ATOM 250 NE2 HIS A 15 -10.312 17.337 3.322 1.00 0.00 N ATOM 0 H HIS A 15 -5.127 15.358 0.646 1.00 0.00 H new ATOM 0 HA HIS A 15 -6.337 17.684 1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.535 15.769 0.678 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.096 14.728 2.018 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.305 18.004 1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.571 16.054 5.012 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -11.077 18.003 3.431 1.00 0.00 H new ATOM 259 N GLN A 16 -4.821 15.694 3.873 1.00 0.00 N ATOM 260 CA GLN A 16 -4.475 15.580 5.312 1.00 0.00 C ATOM 261 C GLN A 16 -3.919 16.916 5.818 1.00 0.00 C ATOM 262 O GLN A 16 -4.250 17.359 6.899 1.00 0.00 O ATOM 263 CB GLN A 16 -3.429 14.478 5.508 1.00 0.00 C ATOM 264 CG GLN A 16 -4.062 13.108 5.242 1.00 0.00 C ATOM 265 CD GLN A 16 -5.085 12.782 6.333 1.00 0.00 C ATOM 266 OE1 GLN A 16 -6.071 12.118 6.077 1.00 0.00 O ATOM 267 NE2 GLN A 16 -4.889 13.211 7.549 1.00 0.00 N ATOM 0 H GLN A 16 -4.302 15.083 3.242 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.372 15.327 5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.588 14.638 4.833 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.034 14.515 6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.546 13.106 4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.289 12.340 5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.063 13.768 7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.562 12.989 8.283 1.00 0.00 H new ATOM 276 N TYR A 17 -3.065 17.562 5.060 1.00 0.00 N ATOM 277 CA TYR A 17 -2.487 18.869 5.540 1.00 0.00 C ATOM 278 C TYR A 17 -3.345 20.073 5.117 1.00 0.00 C ATOM 279 O TYR A 17 -3.533 21.005 5.873 1.00 0.00 O ATOM 280 CB TYR A 17 -1.075 19.030 4.964 1.00 0.00 C ATOM 281 CG TYR A 17 -0.132 18.157 5.745 1.00 0.00 C ATOM 282 CD1 TYR A 17 -0.024 16.803 5.432 1.00 0.00 C ATOM 283 CD2 TYR A 17 0.612 18.701 6.797 1.00 0.00 C ATOM 284 CE1 TYR A 17 0.833 15.984 6.167 1.00 0.00 C ATOM 285 CE2 TYR A 17 1.468 17.885 7.540 1.00 0.00 C ATOM 286 CZ TYR A 17 1.581 16.521 7.225 1.00 0.00 C ATOM 287 OH TYR A 17 2.426 15.709 7.955 1.00 0.00 O ATOM 0 H TYR A 17 -2.744 17.251 4.143 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.464 18.845 6.629 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.063 18.751 3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.760 20.072 5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.604 16.388 4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.525 19.751 7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.921 14.936 5.921 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.042 18.302 8.355 1.00 0.00 H new ATOM 0 HH TYR A 17 2.383 14.794 7.606 1.00 0.00 H new ATOM 297 N SER A 18 -3.831 20.080 3.915 1.00 0.00 N ATOM 298 CA SER A 18 -4.635 21.243 3.434 1.00 0.00 C ATOM 299 C SER A 18 -5.910 21.412 4.265 1.00 0.00 C ATOM 300 O SER A 18 -6.290 22.513 4.605 1.00 0.00 O ATOM 301 CB SER A 18 -5.006 21.020 1.967 1.00 0.00 C ATOM 302 OG SER A 18 -5.648 22.182 1.457 1.00 0.00 O ATOM 0 H SER A 18 -3.709 19.329 3.236 1.00 0.00 H new ATOM 0 HA SER A 18 -4.038 22.149 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.111 20.801 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.666 20.157 1.875 1.00 0.00 H new ATOM 0 HG SER A 18 -6.592 21.984 1.282 1.00 0.00 H new ATOM 308 N GLY A 19 -6.575 20.337 4.588 1.00 0.00 N ATOM 309 CA GLY A 19 -7.837 20.447 5.385 1.00 0.00 C ATOM 310 C GLY A 19 -7.515 20.629 6.866 1.00 0.00 C ATOM 311 O GLY A 19 -8.390 20.866 7.676 1.00 0.00 O ATOM 0 H GLY A 19 -6.302 19.387 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.428 21.291 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.443 19.552 5.245 1.00 0.00 H new ATOM 315 N ARG A 20 -6.273 20.519 7.230 1.00 0.00 N ATOM 316 CA ARG A 20 -5.901 20.685 8.659 1.00 0.00 C ATOM 317 C ARG A 20 -6.300 22.085 9.130 1.00 0.00 C ATOM 318 O ARG A 20 -6.893 22.249 10.178 1.00 0.00 O ATOM 319 CB ARG A 20 -4.392 20.503 8.794 1.00 0.00 C ATOM 320 CG ARG A 20 -3.976 20.631 10.258 1.00 0.00 C ATOM 321 CD ARG A 20 -2.468 20.420 10.360 1.00 0.00 C ATOM 322 NE ARG A 20 -2.151 18.980 10.127 1.00 0.00 N ATOM 323 CZ ARG A 20 -0.932 18.613 9.836 1.00 0.00 C ATOM 324 NH1 ARG A 20 -0.002 19.510 9.676 1.00 0.00 N ATOM 325 NH2 ARG A 20 -0.645 17.348 9.689 1.00 0.00 N ATOM 0 H ARG A 20 -5.496 20.321 6.599 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.418 19.945 9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.100 19.526 8.409 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.873 21.250 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.247 21.614 10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.502 19.895 10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.953 21.040 9.627 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.113 20.727 11.344 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.890 18.280 10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.225 20.500 9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.950 19.223 9.449 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.374 16.643 9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.308 17.064 9.462 1.00 0.00 H new ATOM 339 N GLU A 21 -5.976 23.095 8.358 1.00 0.00 N ATOM 340 CA GLU A 21 -6.329 24.504 8.739 1.00 0.00 C ATOM 341 C GLU A 21 -7.292 25.104 7.704 1.00 0.00 C ATOM 342 O GLU A 21 -7.616 24.491 6.705 1.00 0.00 O ATOM 343 CB GLU A 21 -5.056 25.353 8.824 1.00 0.00 C ATOM 344 CG GLU A 21 -4.191 25.129 7.583 1.00 0.00 C ATOM 345 CD GLU A 21 -3.057 26.156 7.561 1.00 0.00 C ATOM 346 OE1 GLU A 21 -3.282 27.243 7.056 1.00 0.00 O ATOM 347 OE2 GLU A 21 -1.983 25.838 8.045 1.00 0.00 O ATOM 0 H GLU A 21 -5.478 23.005 7.472 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.819 24.497 9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.318 26.408 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.494 25.091 9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.781 24.119 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.798 25.221 6.682 1.00 0.00 H new ATOM 354 N GLY A 22 -7.768 26.293 7.963 1.00 0.00 N ATOM 355 CA GLY A 22 -8.738 26.956 7.038 1.00 0.00 C ATOM 356 C GLY A 22 -8.256 26.918 5.581 1.00 0.00 C ATOM 357 O GLY A 22 -9.056 26.960 4.668 1.00 0.00 O ATOM 0 H GLY A 22 -7.523 26.842 8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.707 26.462 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.883 27.992 7.346 1.00 0.00 H new ATOM 361 N ASP A 23 -6.973 26.857 5.338 1.00 0.00 N ATOM 362 CA ASP A 23 -6.497 26.836 3.928 1.00 0.00 C ATOM 363 C ASP A 23 -6.911 25.510 3.266 1.00 0.00 C ATOM 364 O ASP A 23 -6.114 24.837 2.649 1.00 0.00 O ATOM 365 CB ASP A 23 -4.974 26.972 3.926 1.00 0.00 C ATOM 366 CG ASP A 23 -4.579 28.378 4.380 1.00 0.00 C ATOM 367 OD1 ASP A 23 -5.414 29.261 4.302 1.00 0.00 O ATOM 368 OD2 ASP A 23 -3.447 28.546 4.803 1.00 0.00 O ATOM 0 H ASP A 23 -6.242 26.821 6.049 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.939 27.660 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.532 26.228 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.584 26.780 2.927 1.00 0.00 H new ATOM 373 N LYS A 24 -8.155 25.126 3.407 1.00 0.00 N ATOM 374 CA LYS A 24 -8.634 23.839 2.807 1.00 0.00 C ATOM 375 C LYS A 24 -8.546 23.877 1.275 1.00 0.00 C ATOM 376 O LYS A 24 -8.198 22.899 0.644 1.00 0.00 O ATOM 377 CB LYS A 24 -10.099 23.620 3.201 1.00 0.00 C ATOM 378 CG LYS A 24 -10.541 22.202 2.816 1.00 0.00 C ATOM 379 CD LYS A 24 -12.069 22.107 2.866 1.00 0.00 C ATOM 380 CE LYS A 24 -12.572 22.445 4.273 1.00 0.00 C ATOM 381 NZ LYS A 24 -11.655 21.863 5.294 1.00 0.00 N ATOM 0 H LYS A 24 -8.866 25.652 3.916 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.003 23.032 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.222 23.769 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.732 24.355 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.184 21.958 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.099 21.475 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.508 22.792 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.388 21.102 2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.630 23.526 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.580 22.054 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.156 21.777 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.340 20.922 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.829 22.483 5.412 1.00 0.00 H new ATOM 395 N HIS A 25 -8.895 24.980 0.668 1.00 0.00 N ATOM 396 CA HIS A 25 -8.872 25.059 -0.827 1.00 0.00 C ATOM 397 C HIS A 25 -7.520 25.573 -1.331 1.00 0.00 C ATOM 398 O HIS A 25 -7.327 25.755 -2.517 1.00 0.00 O ATOM 399 CB HIS A 25 -9.985 26.000 -1.292 1.00 0.00 C ATOM 400 CG HIS A 25 -11.323 25.378 -0.990 1.00 0.00 C ATOM 401 ND1 HIS A 25 -12.037 25.684 0.160 1.00 0.00 N ATOM 402 CD2 HIS A 25 -12.087 24.459 -1.671 1.00 0.00 C ATOM 403 CE1 HIS A 25 -13.173 24.962 0.139 1.00 0.00 C ATOM 404 NE2 HIS A 25 -13.250 24.202 -0.954 1.00 0.00 N ATOM 0 H HIS A 25 -9.196 25.832 1.141 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.028 24.060 -1.234 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.897 26.963 -0.788 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -9.893 26.190 -2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.824 24.007 -2.616 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.928 24.994 0.911 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -14.004 23.565 -1.210 1.00 0.00 H new ATOM 413 N LYS A 26 -6.581 25.810 -0.456 1.00 0.00 N ATOM 414 CA LYS A 26 -5.248 26.312 -0.912 1.00 0.00 C ATOM 415 C LYS A 26 -4.155 25.801 0.025 1.00 0.00 C ATOM 416 O LYS A 26 -4.410 25.401 1.138 1.00 0.00 O ATOM 417 CB LYS A 26 -5.251 27.846 -0.930 1.00 0.00 C ATOM 418 CG LYS A 26 -5.522 28.394 0.476 1.00 0.00 C ATOM 419 CD LYS A 26 -5.944 29.868 0.379 1.00 0.00 C ATOM 420 CE LYS A 26 -5.813 30.539 1.749 1.00 0.00 C ATOM 421 NZ LYS A 26 -6.089 32.000 1.620 1.00 0.00 N ATOM 0 H LYS A 26 -6.676 25.679 0.551 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.050 25.946 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.291 28.214 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.012 28.207 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.306 27.811 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.628 28.300 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.322 30.386 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.973 29.938 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.511 30.088 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.811 30.382 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.000 32.454 2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.406 32.425 0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.054 32.140 1.258 1.00 0.00 H new ATOM 435 N LEU A 27 -2.935 25.806 -0.435 1.00 0.00 N ATOM 436 CA LEU A 27 -1.786 25.328 0.395 1.00 0.00 C ATOM 437 C LEU A 27 -0.956 26.567 0.770 1.00 0.00 C ATOM 438 O LEU A 27 -0.530 27.297 -0.093 1.00 0.00 O ATOM 439 CB LEU A 27 -0.955 24.346 -0.477 1.00 0.00 C ATOM 440 CG LEU A 27 -0.410 23.142 0.326 1.00 0.00 C ATOM 441 CD1 LEU A 27 0.683 23.603 1.302 1.00 0.00 C ATOM 442 CD2 LEU A 27 -1.547 22.402 1.072 1.00 0.00 C ATOM 0 H LEU A 27 -2.678 26.127 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.105 24.815 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.576 23.980 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.121 24.884 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 27 0.031 22.436 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.057 22.745 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.501 24.058 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.267 24.334 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.131 21.561 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.035 23.088 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.277 22.035 0.351 1.00 0.00 H new ATOM 454 N LYS A 28 -0.744 26.836 2.039 1.00 0.00 N ATOM 455 CA LYS A 28 0.043 28.052 2.425 1.00 0.00 C ATOM 456 C LYS A 28 1.469 27.655 2.817 1.00 0.00 C ATOM 457 O LYS A 28 1.688 26.623 3.418 1.00 0.00 O ATOM 458 CB LYS A 28 -0.642 28.726 3.622 1.00 0.00 C ATOM 459 CG LYS A 28 0.123 29.990 4.034 1.00 0.00 C ATOM 460 CD LYS A 28 -0.587 30.655 5.214 1.00 0.00 C ATOM 461 CE LYS A 28 0.119 31.968 5.555 1.00 0.00 C ATOM 462 NZ LYS A 28 0.169 32.832 4.343 1.00 0.00 N ATOM 0 H LYS A 28 -1.080 26.270 2.818 1.00 0.00 H new ATOM 0 HA LYS A 28 0.086 28.738 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.669 28.983 3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.688 28.032 4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.147 29.735 4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.181 30.682 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.631 30.844 4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.581 29.991 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.410 32.480 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.128 31.768 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.224 33.830 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.007 32.588 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.689 32.682 3.774 1.00 0.00 H new ATOM 476 N LYS A 29 2.434 28.488 2.490 1.00 0.00 N ATOM 477 CA LYS A 29 3.858 28.221 2.848 1.00 0.00 C ATOM 478 C LYS A 29 3.924 27.618 4.254 1.00 0.00 C ATOM 479 O LYS A 29 4.868 26.943 4.610 1.00 0.00 O ATOM 480 CB LYS A 29 4.608 29.566 2.821 1.00 0.00 C ATOM 481 CG LYS A 29 6.032 29.412 3.371 1.00 0.00 C ATOM 482 CD LYS A 29 6.763 30.760 3.291 1.00 0.00 C ATOM 483 CE LYS A 29 7.959 30.753 4.247 1.00 0.00 C ATOM 484 NZ LYS A 29 8.898 29.671 3.851 1.00 0.00 N ATOM 0 H LYS A 29 2.285 29.358 1.979 1.00 0.00 H new ATOM 0 HA LYS A 29 4.309 27.521 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.648 29.944 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.063 30.302 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.998 29.066 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.574 28.658 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.101 30.942 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.082 31.571 3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.466 31.718 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.620 30.599 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.877 30.003 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.743 28.838 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.732 29.414 2.857 1.00 0.00 H new ATOM 498 N SER A 30 2.918 27.852 5.046 1.00 0.00 N ATOM 499 CA SER A 30 2.909 27.283 6.425 1.00 0.00 C ATOM 500 C SER A 30 2.525 25.810 6.340 1.00 0.00 C ATOM 501 O SER A 30 3.193 24.946 6.874 1.00 0.00 O ATOM 502 CB SER A 30 1.894 28.031 7.291 1.00 0.00 C ATOM 503 OG SER A 30 2.379 29.340 7.557 1.00 0.00 O ATOM 0 H SER A 30 2.101 28.412 4.801 1.00 0.00 H new ATOM 0 HA SER A 30 3.897 27.387 6.875 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.932 28.084 6.781 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.730 27.494 8.226 1.00 0.00 H new ATOM 0 HG SER A 30 1.730 29.823 8.110 1.00 0.00 H new ATOM 509 N GLU A 31 1.460 25.517 5.649 1.00 0.00 N ATOM 510 CA GLU A 31 1.037 24.102 5.494 1.00 0.00 C ATOM 511 C GLU A 31 2.116 23.358 4.720 1.00 0.00 C ATOM 512 O GLU A 31 2.362 22.196 4.940 1.00 0.00 O ATOM 513 CB GLU A 31 -0.266 24.027 4.706 1.00 0.00 C ATOM 514 CG GLU A 31 -1.420 24.571 5.538 1.00 0.00 C ATOM 515 CD GLU A 31 -2.705 24.455 4.721 1.00 0.00 C ATOM 516 OE1 GLU A 31 -2.732 24.985 3.622 1.00 0.00 O ATOM 517 OE2 GLU A 31 -3.638 23.838 5.204 1.00 0.00 O ATOM 0 H GLU A 31 0.863 26.201 5.184 1.00 0.00 H new ATOM 0 HA GLU A 31 0.888 23.658 6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.174 24.599 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.468 22.994 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.512 24.012 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.235 25.611 5.807 1.00 0.00 H new ATOM 524 N LEU A 32 2.744 24.028 3.795 1.00 0.00 N ATOM 525 CA LEU A 32 3.801 23.374 2.980 1.00 0.00 C ATOM 526 C LEU A 32 4.915 22.881 3.893 1.00 0.00 C ATOM 527 O LEU A 32 5.405 21.786 3.746 1.00 0.00 O ATOM 528 CB LEU A 32 4.367 24.394 1.985 1.00 0.00 C ATOM 529 CG LEU A 32 5.512 23.778 1.168 1.00 0.00 C ATOM 530 CD1 LEU A 32 5.034 22.498 0.466 1.00 0.00 C ATOM 531 CD2 LEU A 32 5.978 24.799 0.120 1.00 0.00 C ATOM 0 H LEU A 32 2.568 25.007 3.568 1.00 0.00 H new ATOM 0 HA LEU A 32 3.379 22.527 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.577 24.733 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.728 25.271 2.522 1.00 0.00 H new ATOM 0 HG LEU A 32 6.337 23.523 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.855 22.071 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.700 21.777 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.207 22.737 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.792 24.373 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.147 25.049 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.327 25.702 0.621 1.00 0.00 H new ATOM 543 N LYS A 33 5.329 23.684 4.824 1.00 0.00 N ATOM 544 CA LYS A 33 6.425 23.250 5.739 1.00 0.00 C ATOM 545 C LYS A 33 5.985 22.081 6.629 1.00 0.00 C ATOM 546 O LYS A 33 6.761 21.192 6.918 1.00 0.00 O ATOM 547 CB LYS A 33 6.846 24.409 6.641 1.00 0.00 C ATOM 548 CG LYS A 33 8.037 23.965 7.504 1.00 0.00 C ATOM 549 CD LYS A 33 8.503 25.128 8.370 1.00 0.00 C ATOM 550 CE LYS A 33 9.762 24.715 9.132 1.00 0.00 C ATOM 551 NZ LYS A 33 9.448 23.566 10.028 1.00 0.00 N ATOM 0 H LYS A 33 4.961 24.620 4.995 1.00 0.00 H new ATOM 0 HA LYS A 33 7.259 22.929 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.120 25.275 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.014 24.713 7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.749 23.123 8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.853 23.623 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.709 26.000 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.717 25.414 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.550 24.438 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.137 25.554 9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.188 23.479 10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.529 23.726 10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.407 22.690 9.468 1.00 0.00 H new ATOM 565 N GLU A 34 4.775 22.094 7.112 1.00 0.00 N ATOM 566 CA GLU A 34 4.339 21.005 8.031 1.00 0.00 C ATOM 567 C GLU A 34 4.227 19.698 7.251 1.00 0.00 C ATOM 568 O GLU A 34 4.470 18.634 7.769 1.00 0.00 O ATOM 569 CB GLU A 34 2.996 21.386 8.687 1.00 0.00 C ATOM 570 CG GLU A 34 2.896 20.767 10.092 1.00 0.00 C ATOM 571 CD GLU A 34 1.628 21.266 10.788 1.00 0.00 C ATOM 572 OE1 GLU A 34 1.023 22.197 10.282 1.00 0.00 O ATOM 573 OE2 GLU A 34 1.285 20.710 11.818 1.00 0.00 O ATOM 0 H GLU A 34 4.072 22.806 6.913 1.00 0.00 H new ATOM 0 HA GLU A 34 5.074 20.868 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.910 22.471 8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.169 21.037 8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.879 19.680 10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.774 21.034 10.680 1.00 0.00 H new ATOM 580 N LEU A 35 3.883 19.773 6.006 1.00 0.00 N ATOM 581 CA LEU A 35 3.798 18.543 5.183 1.00 0.00 C ATOM 582 C LEU A 35 5.204 17.999 4.987 1.00 0.00 C ATOM 583 O LEU A 35 5.479 16.842 5.204 1.00 0.00 O ATOM 584 CB LEU A 35 3.194 18.902 3.821 1.00 0.00 C ATOM 585 CG LEU A 35 3.162 17.664 2.896 1.00 0.00 C ATOM 586 CD1 LEU A 35 2.164 17.921 1.759 1.00 0.00 C ATOM 587 CD2 LEU A 35 4.570 17.364 2.302 1.00 0.00 C ATOM 0 H LEU A 35 3.655 20.639 5.517 1.00 0.00 H new ATOM 0 HA LEU A 35 3.175 17.795 5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.184 19.288 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.779 19.695 3.356 1.00 0.00 H new ATOM 0 HG LEU A 35 2.855 16.797 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.133 17.054 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.173 18.095 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.477 18.797 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.513 16.488 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.910 18.221 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.273 17.173 3.112 1.00 0.00 H new ATOM 599 N ILE A 36 6.090 18.834 4.549 1.00 0.00 N ATOM 600 CA ILE A 36 7.474 18.379 4.289 1.00 0.00 C ATOM 601 C ILE A 36 8.190 18.011 5.592 1.00 0.00 C ATOM 602 O ILE A 36 8.859 17.000 5.674 1.00 0.00 O ATOM 603 CB ILE A 36 8.245 19.504 3.596 1.00 0.00 C ATOM 604 CG1 ILE A 36 7.536 19.889 2.291 1.00 0.00 C ATOM 605 CG2 ILE A 36 9.656 19.012 3.281 1.00 0.00 C ATOM 606 CD1 ILE A 36 8.192 21.136 1.692 1.00 0.00 C ATOM 0 H ILE A 36 5.915 19.821 4.358 1.00 0.00 H new ATOM 0 HA ILE A 36 7.434 17.493 3.656 1.00 0.00 H new ATOM 0 HB ILE A 36 8.291 20.376 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.588 19.063 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.480 20.079 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.216 19.806 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.160 18.735 4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.600 18.144 2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.684 21.405 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.117 21.962 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.242 20.930 1.484 1.00 0.00 H new ATOM 618 N ASN A 37 8.091 18.833 6.599 1.00 0.00 N ATOM 619 CA ASN A 37 8.810 18.530 7.871 1.00 0.00 C ATOM 620 C ASN A 37 8.196 17.335 8.611 1.00 0.00 C ATOM 621 O ASN A 37 8.891 16.536 9.206 1.00 0.00 O ATOM 622 CB ASN A 37 8.753 19.760 8.783 1.00 0.00 C ATOM 623 CG ASN A 37 9.626 19.527 10.018 1.00 0.00 C ATOM 624 OD1 ASN A 37 9.149 19.062 11.035 1.00 0.00 O ATOM 625 ND2 ASN A 37 10.894 19.835 9.974 1.00 0.00 N ATOM 0 H ASN A 37 7.548 19.696 6.599 1.00 0.00 H new ATOM 0 HA ASN A 37 9.840 18.276 7.619 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.098 20.642 8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.724 19.954 9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.484 19.685 10.793 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.295 20.225 9.121 1.00 0.00 H new ATOM 632 N ASN A 38 6.899 17.248 8.625 1.00 0.00 N ATOM 633 CA ASN A 38 6.205 16.149 9.383 1.00 0.00 C ATOM 634 C ASN A 38 5.787 14.966 8.491 1.00 0.00 C ATOM 635 O ASN A 38 5.819 13.832 8.925 1.00 0.00 O ATOM 636 CB ASN A 38 4.953 16.731 10.045 1.00 0.00 C ATOM 637 CG ASN A 38 4.425 15.767 11.114 1.00 0.00 C ATOM 638 OD1 ASN A 38 3.400 16.016 11.715 1.00 0.00 O ATOM 639 ND2 ASN A 38 5.077 14.666 11.375 1.00 0.00 N ATOM 0 H ASN A 38 6.274 17.893 8.142 1.00 0.00 H new ATOM 0 HA ASN A 38 6.913 15.763 10.117 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.186 17.695 10.497 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.184 16.909 9.293 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.725 14.020 12.081 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.939 14.452 10.873 1.00 0.00 H new ATOM 646 N GLU A 39 5.360 15.197 7.274 1.00 0.00 N ATOM 647 CA GLU A 39 4.913 14.037 6.430 1.00 0.00 C ATOM 648 C GLU A 39 6.132 13.352 5.810 1.00 0.00 C ATOM 649 O GLU A 39 6.037 12.264 5.278 1.00 0.00 O ATOM 650 CB GLU A 39 3.961 14.521 5.315 1.00 0.00 C ATOM 651 CG GLU A 39 3.120 13.349 4.802 1.00 0.00 C ATOM 652 CD GLU A 39 2.350 13.789 3.554 1.00 0.00 C ATOM 653 OE1 GLU A 39 1.616 14.759 3.647 1.00 0.00 O ATOM 654 OE2 GLU A 39 2.508 13.149 2.528 1.00 0.00 O ATOM 0 H GLU A 39 5.301 16.115 6.833 1.00 0.00 H new ATOM 0 HA GLU A 39 4.380 13.326 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.310 15.307 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.536 14.953 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.762 12.500 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.426 13.019 5.575 1.00 0.00 H new ATOM 661 N LEU A 40 7.280 13.976 5.883 1.00 0.00 N ATOM 662 CA LEU A 40 8.518 13.366 5.303 1.00 0.00 C ATOM 663 C LEU A 40 9.686 13.609 6.266 1.00 0.00 C ATOM 664 O LEU A 40 10.696 14.179 5.905 1.00 0.00 O ATOM 665 CB LEU A 40 8.832 14.007 3.932 1.00 0.00 C ATOM 666 CG LEU A 40 7.536 14.324 3.154 1.00 0.00 C ATOM 667 CD1 LEU A 40 7.885 15.177 1.926 1.00 0.00 C ATOM 668 CD2 LEU A 40 6.830 13.021 2.699 1.00 0.00 C ATOM 0 H LEU A 40 7.415 14.887 6.322 1.00 0.00 H new ATOM 0 HA LEU A 40 8.367 12.296 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.405 14.923 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.455 13.332 3.346 1.00 0.00 H new ATOM 0 HG LEU A 40 6.857 14.869 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.975 15.405 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.355 16.106 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.573 14.627 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.920 13.272 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.497 12.453 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.576 12.421 3.573 1.00 0.00 H new ATOM 680 N SER A 41 9.544 13.190 7.493 1.00 0.00 N ATOM 681 CA SER A 41 10.629 13.400 8.493 1.00 0.00 C ATOM 682 C SER A 41 11.917 12.709 8.042 1.00 0.00 C ATOM 683 O SER A 41 13.000 13.233 8.220 1.00 0.00 O ATOM 684 CB SER A 41 10.195 12.813 9.836 1.00 0.00 C ATOM 685 OG SER A 41 9.152 13.609 10.381 1.00 0.00 O ATOM 0 H SER A 41 8.718 12.708 7.848 1.00 0.00 H new ATOM 0 HA SER A 41 10.815 14.470 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.853 11.786 9.704 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.041 12.782 10.523 1.00 0.00 H new ATOM 0 HG SER A 41 9.157 14.491 9.955 1.00 0.00 H new ATOM 691 N HIS A 42 11.813 11.525 7.485 1.00 0.00 N ATOM 692 CA HIS A 42 13.038 10.778 7.043 1.00 0.00 C ATOM 693 C HIS A 42 12.932 10.388 5.566 1.00 0.00 C ATOM 694 O HIS A 42 13.925 10.112 4.923 1.00 0.00 O ATOM 695 CB HIS A 42 13.170 9.510 7.890 1.00 0.00 C ATOM 696 CG HIS A 42 13.437 9.891 9.320 1.00 0.00 C ATOM 697 ND1 HIS A 42 12.418 10.019 10.255 1.00 0.00 N ATOM 698 CD2 HIS A 42 14.601 10.177 9.992 1.00 0.00 C ATOM 699 CE1 HIS A 42 12.983 10.366 11.426 1.00 0.00 C ATOM 700 NE2 HIS A 42 14.308 10.475 11.319 1.00 0.00 N ATOM 0 H HIS A 42 10.931 11.041 7.316 1.00 0.00 H new ATOM 0 HA HIS A 42 13.911 11.418 7.171 1.00 0.00 H new ATOM 0 HB2 HIS A 42 12.257 8.918 7.824 1.00 0.00 H new ATOM 0 HB3 HIS A 42 13.981 8.888 7.510 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.590 10.171 9.558 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.432 10.535 12.339 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.968 10.724 12.056 1.00 0.00 H new ATOM 709 N PHE A 43 11.749 10.347 5.018 1.00 0.00 N ATOM 710 CA PHE A 43 11.625 9.957 3.584 1.00 0.00 C ATOM 711 C PHE A 43 12.270 11.035 2.702 1.00 0.00 C ATOM 712 O PHE A 43 12.914 10.734 1.718 1.00 0.00 O ATOM 713 CB PHE A 43 10.143 9.752 3.218 1.00 0.00 C ATOM 714 CG PHE A 43 9.957 9.589 1.713 1.00 0.00 C ATOM 715 CD1 PHE A 43 10.859 8.829 0.941 1.00 0.00 C ATOM 716 CD2 PHE A 43 8.859 10.198 1.087 1.00 0.00 C ATOM 717 CE1 PHE A 43 10.657 8.689 -0.438 1.00 0.00 C ATOM 718 CE2 PHE A 43 8.662 10.054 -0.292 1.00 0.00 C ATOM 719 CZ PHE A 43 9.561 9.301 -1.053 1.00 0.00 C ATOM 0 H PHE A 43 10.873 10.563 5.493 1.00 0.00 H new ATOM 0 HA PHE A 43 12.146 9.014 3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.759 8.870 3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.559 10.604 3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.706 8.354 1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.162 10.781 1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.350 8.107 -1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.815 10.525 -0.768 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.409 9.192 -2.117 1.00 0.00 H new ATOM 729 N LEU A 44 12.109 12.290 3.056 1.00 0.00 N ATOM 730 CA LEU A 44 12.717 13.406 2.255 1.00 0.00 C ATOM 731 C LEU A 44 13.546 14.275 3.197 1.00 0.00 C ATOM 732 O LEU A 44 13.340 14.273 4.396 1.00 0.00 O ATOM 733 CB LEU A 44 11.598 14.253 1.634 1.00 0.00 C ATOM 734 CG LEU A 44 12.166 15.348 0.712 1.00 0.00 C ATOM 735 CD1 LEU A 44 12.954 14.726 -0.456 1.00 0.00 C ATOM 736 CD2 LEU A 44 10.996 16.170 0.154 1.00 0.00 C ATOM 0 H LEU A 44 11.578 12.592 3.873 1.00 0.00 H new ATOM 0 HA LEU A 44 13.346 13.003 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.926 13.610 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.006 14.713 2.425 1.00 0.00 H new ATOM 0 HG LEU A 44 12.844 15.982 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.346 15.519 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.781 14.135 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.294 14.084 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.380 16.951 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.330 15.518 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.446 16.626 0.977 1.00 0.00 H new ATOM 748 N GLU A 45 14.483 15.013 2.679 1.00 0.00 N ATOM 749 CA GLU A 45 15.312 15.866 3.568 1.00 0.00 C ATOM 750 C GLU A 45 14.390 16.735 4.428 1.00 0.00 C ATOM 751 O GLU A 45 13.755 17.655 3.951 1.00 0.00 O ATOM 752 CB GLU A 45 16.214 16.761 2.713 1.00 0.00 C ATOM 753 CG GLU A 45 17.183 17.535 3.611 1.00 0.00 C ATOM 754 CD GLU A 45 18.205 16.571 4.217 1.00 0.00 C ATOM 755 OE1 GLU A 45 18.347 15.481 3.688 1.00 0.00 O ATOM 756 OE2 GLU A 45 18.832 16.943 5.195 1.00 0.00 O ATOM 0 H GLU A 45 14.710 15.063 1.686 1.00 0.00 H new ATOM 0 HA GLU A 45 15.930 15.241 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.772 16.154 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.607 17.457 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.693 18.305 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.633 18.043 4.403 1.00 0.00 H new ATOM 763 N GLU A 46 14.321 16.444 5.697 1.00 0.00 N ATOM 764 CA GLU A 46 13.453 17.238 6.611 1.00 0.00 C ATOM 765 C GLU A 46 13.916 18.700 6.584 1.00 0.00 C ATOM 766 O GLU A 46 15.097 18.984 6.517 1.00 0.00 O ATOM 767 CB GLU A 46 13.572 16.665 8.032 1.00 0.00 C ATOM 768 CG GLU A 46 12.631 17.413 8.982 1.00 0.00 C ATOM 769 CD GLU A 46 12.703 16.800 10.384 1.00 0.00 C ATOM 770 OE1 GLU A 46 13.426 15.832 10.550 1.00 0.00 O ATOM 771 OE2 GLU A 46 12.039 17.315 11.269 1.00 0.00 O ATOM 0 H GLU A 46 14.833 15.684 6.144 1.00 0.00 H new ATOM 0 HA GLU A 46 12.412 17.187 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.326 15.603 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.600 16.752 8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.905 18.467 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.609 17.364 8.607 1.00 0.00 H new ATOM 778 N ILE A 47 12.992 19.631 6.606 1.00 0.00 N ATOM 779 CA ILE A 47 13.368 21.083 6.555 1.00 0.00 C ATOM 780 C ILE A 47 13.267 21.686 7.958 1.00 0.00 C ATOM 781 O ILE A 47 12.293 21.486 8.656 1.00 0.00 O ATOM 782 CB ILE A 47 12.415 21.812 5.608 1.00 0.00 C ATOM 783 CG1 ILE A 47 12.516 21.171 4.214 1.00 0.00 C ATOM 784 CG2 ILE A 47 12.813 23.291 5.543 1.00 0.00 C ATOM 785 CD1 ILE A 47 11.566 21.868 3.242 1.00 0.00 C ATOM 0 H ILE A 47 11.990 19.449 6.657 1.00 0.00 H new ATOM 0 HA ILE A 47 14.391 21.188 6.194 1.00 0.00 H new ATOM 0 HB ILE A 47 11.388 21.735 5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.540 21.242 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.272 20.110 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.139 23.820 4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.749 23.729 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.835 23.377 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.647 21.405 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.542 21.774 3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.830 22.923 3.169 1.00 0.00 H new ATOM 797 N LYS A 48 14.283 22.399 8.388 1.00 0.00 N ATOM 798 CA LYS A 48 14.271 22.994 9.766 1.00 0.00 C ATOM 799 C LYS A 48 14.118 24.520 9.693 1.00 0.00 C ATOM 800 O LYS A 48 13.738 25.150 10.661 1.00 0.00 O ATOM 801 CB LYS A 48 15.601 22.660 10.475 1.00 0.00 C ATOM 802 CG LYS A 48 16.106 21.270 10.059 1.00 0.00 C ATOM 803 CD LYS A 48 15.113 20.187 10.478 1.00 0.00 C ATOM 804 CE LYS A 48 15.567 18.853 9.894 1.00 0.00 C ATOM 805 NZ LYS A 48 16.952 18.548 10.351 1.00 0.00 N ATOM 0 H LYS A 48 15.122 22.595 7.843 1.00 0.00 H new ATOM 0 HA LYS A 48 13.429 22.577 10.319 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.349 23.413 10.228 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.461 22.693 11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.252 21.239 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.076 21.078 10.517 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.059 20.125 11.565 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.113 20.434 10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.888 18.059 10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.534 18.892 8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.595 18.545 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.261 19.272 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.969 17.614 10.808 1.00 0.00 H new ATOM 819 N GLU A 49 14.432 25.126 8.571 1.00 0.00 N ATOM 820 CA GLU A 49 14.327 26.619 8.458 1.00 0.00 C ATOM 821 C GLU A 49 13.186 27.009 7.516 1.00 0.00 C ATOM 822 O GLU A 49 12.937 26.367 6.514 1.00 0.00 O ATOM 823 CB GLU A 49 15.642 27.181 7.913 1.00 0.00 C ATOM 824 CG GLU A 49 16.751 27.026 8.959 1.00 0.00 C ATOM 825 CD GLU A 49 17.207 25.567 9.020 1.00 0.00 C ATOM 826 OE1 GLU A 49 16.809 24.803 8.157 1.00 0.00 O ATOM 827 OE2 GLU A 49 17.950 25.238 9.930 1.00 0.00 O ATOM 0 H GLU A 49 14.757 24.652 7.728 1.00 0.00 H new ATOM 0 HA GLU A 49 14.125 27.030 9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.919 26.658 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.518 28.233 7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.594 27.670 8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.388 27.344 9.936 1.00 0.00 H new ATOM 834 N GLN A 50 12.501 28.072 7.838 1.00 0.00 N ATOM 835 CA GLN A 50 11.375 28.543 6.983 1.00 0.00 C ATOM 836 C GLN A 50 11.934 29.094 5.673 1.00 0.00 C ATOM 837 O GLN A 50 11.224 29.239 4.704 1.00 0.00 O ATOM 838 CB GLN A 50 10.633 29.683 7.692 1.00 0.00 C ATOM 839 CG GLN A 50 10.065 29.216 9.036 1.00 0.00 C ATOM 840 CD GLN A 50 8.840 28.320 8.824 1.00 0.00 C ATOM 841 OE1 GLN A 50 8.440 27.605 9.722 1.00 0.00 O ATOM 842 NE2 GLN A 50 8.222 28.317 7.673 1.00 0.00 N ATOM 0 H GLN A 50 12.676 28.641 8.667 1.00 0.00 H new ATOM 0 HA GLN A 50 10.699 27.709 6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.313 30.520 7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.824 30.045 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.829 28.671 9.590 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.789 30.080 9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.552 28.915 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.409 27.717 7.532 1.00 0.00 H new ATOM 851 N GLU A 51 13.190 29.446 5.651 1.00 0.00 N ATOM 852 CA GLU A 51 13.780 30.031 4.411 1.00 0.00 C ATOM 853 C GLU A 51 13.786 29.013 3.273 1.00 0.00 C ATOM 854 O GLU A 51 13.554 29.351 2.133 1.00 0.00 O ATOM 855 CB GLU A 51 15.212 30.507 4.699 1.00 0.00 C ATOM 856 CG GLU A 51 16.162 29.305 4.783 1.00 0.00 C ATOM 857 CD GLU A 51 17.504 29.753 5.368 1.00 0.00 C ATOM 858 OE1 GLU A 51 17.846 30.913 5.197 1.00 0.00 O ATOM 859 OE2 GLU A 51 18.168 28.930 5.977 1.00 0.00 O ATOM 0 H GLU A 51 13.834 29.354 6.437 1.00 0.00 H new ATOM 0 HA GLU A 51 13.168 30.878 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.542 31.187 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.236 31.065 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.724 28.525 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.311 28.876 3.792 1.00 0.00 H new ATOM 866 N VAL A 52 14.065 27.780 3.563 1.00 0.00 N ATOM 867 CA VAL A 52 14.093 26.758 2.486 1.00 0.00 C ATOM 868 C VAL A 52 12.706 26.623 1.897 1.00 0.00 C ATOM 869 O VAL A 52 12.533 26.445 0.712 1.00 0.00 O ATOM 870 CB VAL A 52 14.540 25.424 3.072 1.00 0.00 C ATOM 871 CG1 VAL A 52 14.447 24.331 2.006 1.00 0.00 C ATOM 872 CG2 VAL A 52 15.981 25.545 3.573 1.00 0.00 C ATOM 0 H VAL A 52 14.275 27.433 4.499 1.00 0.00 H new ATOM 0 HA VAL A 52 14.790 27.058 1.704 1.00 0.00 H new ATOM 0 HB VAL A 52 13.890 25.159 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.768 23.380 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.416 24.245 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.090 24.588 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.302 24.591 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.634 25.814 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.035 26.316 4.342 1.00 0.00 H new ATOM 882 N VAL A 53 11.721 26.690 2.725 1.00 0.00 N ATOM 883 CA VAL A 53 10.331 26.558 2.243 1.00 0.00 C ATOM 884 C VAL A 53 9.954 27.783 1.422 1.00 0.00 C ATOM 885 O VAL A 53 9.209 27.689 0.480 1.00 0.00 O ATOM 886 CB VAL A 53 9.420 26.429 3.456 1.00 0.00 C ATOM 887 CG1 VAL A 53 7.963 26.208 3.022 1.00 0.00 C ATOM 888 CG2 VAL A 53 9.908 25.249 4.297 1.00 0.00 C ATOM 0 H VAL A 53 11.818 26.833 3.730 1.00 0.00 H new ATOM 0 HA VAL A 53 10.228 25.678 1.608 1.00 0.00 H new ATOM 0 HB VAL A 53 9.454 27.348 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.330 26.119 3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.630 27.054 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.894 25.294 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.269 25.138 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.869 24.337 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 53 10.934 25.430 4.617 1.00 0.00 H new ATOM 898 N ASP A 54 10.448 28.928 1.778 1.00 0.00 N ATOM 899 CA ASP A 54 10.104 30.155 1.011 1.00 0.00 C ATOM 900 C ASP A 54 10.697 30.061 -0.390 1.00 0.00 C ATOM 901 O ASP A 54 10.100 30.470 -1.363 1.00 0.00 O ATOM 902 CB ASP A 54 10.677 31.384 1.721 1.00 0.00 C ATOM 903 CG ASP A 54 10.210 32.650 1.001 1.00 0.00 C ATOM 904 OD1 ASP A 54 9.959 32.571 -0.190 1.00 0.00 O ATOM 905 OD2 ASP A 54 10.117 33.678 1.651 1.00 0.00 O ATOM 0 H ASP A 54 11.077 29.071 2.568 1.00 0.00 H new ATOM 0 HA ASP A 54 9.020 30.246 0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.350 31.402 2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.766 31.338 1.730 1.00 0.00 H new ATOM 910 N LYS A 55 11.874 29.522 -0.480 1.00 0.00 N ATOM 911 CA LYS A 55 12.561 29.379 -1.792 1.00 0.00 C ATOM 912 C LYS A 55 11.791 28.371 -2.624 1.00 0.00 C ATOM 913 O LYS A 55 11.588 28.534 -3.814 1.00 0.00 O ATOM 914 CB LYS A 55 13.995 28.888 -1.564 1.00 0.00 C ATOM 915 CG LYS A 55 14.786 28.974 -2.873 1.00 0.00 C ATOM 916 CD LYS A 55 16.240 28.549 -2.629 1.00 0.00 C ATOM 917 CE LYS A 55 17.038 28.694 -3.930 1.00 0.00 C ATOM 918 NZ LYS A 55 18.500 28.615 -3.643 1.00 0.00 N ATOM 0 H LYS A 55 12.403 29.166 0.316 1.00 0.00 H new ATOM 0 HA LYS A 55 12.597 30.337 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.478 29.492 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.984 27.860 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.331 28.331 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.755 29.992 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.684 29.165 -1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.275 27.517 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.753 27.909 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.803 29.646 -4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 18.956 29.510 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 18.646 28.445 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 18.919 27.835 -4.188 1.00 0.00 H new ATOM 932 N VAL A 56 11.338 27.336 -1.991 1.00 0.00 N ATOM 933 CA VAL A 56 10.554 26.316 -2.717 1.00 0.00 C ATOM 934 C VAL A 56 9.271 26.981 -3.189 1.00 0.00 C ATOM 935 O VAL A 56 8.742 26.675 -4.236 1.00 0.00 O ATOM 936 CB VAL A 56 10.239 25.142 -1.779 1.00 0.00 C ATOM 937 CG1 VAL A 56 9.097 24.297 -2.356 1.00 0.00 C ATOM 938 CG2 VAL A 56 11.489 24.269 -1.630 1.00 0.00 C ATOM 0 H VAL A 56 11.478 27.152 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 56 11.111 25.925 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 56 9.937 25.531 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.882 23.467 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.206 24.916 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.390 23.907 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.272 23.433 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.785 23.888 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.301 24.864 -1.212 1.00 0.00 H new ATOM 948 N MET A 57 8.771 27.896 -2.414 1.00 0.00 N ATOM 949 CA MET A 57 7.517 28.587 -2.804 1.00 0.00 C ATOM 950 C MET A 57 7.773 29.479 -4.012 1.00 0.00 C ATOM 951 O MET A 57 6.921 29.651 -4.843 1.00 0.00 O ATOM 952 CB MET A 57 6.978 29.395 -1.626 1.00 0.00 C ATOM 953 CG MET A 57 6.384 28.427 -0.596 1.00 0.00 C ATOM 954 SD MET A 57 4.837 27.736 -1.232 1.00 0.00 S ATOM 955 CE MET A 57 3.743 29.075 -0.704 1.00 0.00 C ATOM 0 H MET A 57 9.176 28.195 -1.527 1.00 0.00 H new ATOM 0 HA MET A 57 6.765 27.847 -3.079 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.777 29.984 -1.175 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.218 30.098 -1.966 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.092 27.626 -0.385 1.00 0.00 H new ATOM 0 HG3 MET A 57 6.202 28.948 0.344 1.00 0.00 H new ATOM 0 HE1 MET A 57 3.128 28.735 0.129 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.341 29.930 -0.389 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.100 29.368 -1.534 1.00 0.00 H new ATOM 965 N GLU A 58 8.942 30.026 -4.161 1.00 0.00 N ATOM 966 CA GLU A 58 9.183 30.863 -5.369 1.00 0.00 C ATOM 967 C GLU A 58 8.857 29.995 -6.574 1.00 0.00 C ATOM 968 O GLU A 58 8.332 30.441 -7.575 1.00 0.00 O ATOM 969 CB GLU A 58 10.654 31.265 -5.448 1.00 0.00 C ATOM 970 CG GLU A 58 11.029 32.084 -4.222 1.00 0.00 C ATOM 971 CD GLU A 58 10.300 33.430 -4.260 1.00 0.00 C ATOM 972 OE1 GLU A 58 9.822 33.791 -5.323 1.00 0.00 O ATOM 973 OE2 GLU A 58 10.235 34.077 -3.228 1.00 0.00 O ATOM 0 H GLU A 58 9.727 29.935 -3.516 1.00 0.00 H new ATOM 0 HA GLU A 58 8.573 31.766 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.281 30.376 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.834 31.845 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.764 31.541 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.107 32.244 -4.195 1.00 0.00 H new ATOM 980 N THR A 59 9.184 28.746 -6.458 1.00 0.00 N ATOM 981 CA THR A 59 8.934 27.780 -7.550 1.00 0.00 C ATOM 982 C THR A 59 7.463 27.319 -7.561 1.00 0.00 C ATOM 983 O THR A 59 6.835 27.264 -8.599 1.00 0.00 O ATOM 984 CB THR A 59 9.854 26.586 -7.311 1.00 0.00 C ATOM 985 OG1 THR A 59 11.165 27.063 -7.045 1.00 0.00 O ATOM 986 CG2 THR A 59 9.887 25.690 -8.538 1.00 0.00 C ATOM 0 H THR A 59 9.625 28.345 -5.630 1.00 0.00 H new ATOM 0 HA THR A 59 9.132 28.246 -8.515 1.00 0.00 H new ATOM 0 HB THR A 59 9.481 26.010 -6.464 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.764 26.303 -6.888 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.547 24.843 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.882 25.327 -8.750 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.256 26.257 -9.393 1.00 0.00 H new ATOM 994 N LEU A 60 6.914 26.966 -6.424 1.00 0.00 N ATOM 995 CA LEU A 60 5.497 26.481 -6.387 1.00 0.00 C ATOM 996 C LEU A 60 4.530 27.652 -6.244 1.00 0.00 C ATOM 997 O LEU A 60 3.344 27.514 -6.470 1.00 0.00 O ATOM 998 CB LEU A 60 5.315 25.552 -5.188 1.00 0.00 C ATOM 999 CG LEU A 60 6.420 24.497 -5.175 1.00 0.00 C ATOM 1000 CD1 LEU A 60 6.142 23.495 -4.053 1.00 0.00 C ATOM 1001 CD2 LEU A 60 6.468 23.772 -6.526 1.00 0.00 C ATOM 0 H LEU A 60 7.385 26.992 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 60 5.287 25.954 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.340 26.128 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.339 25.069 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 60 7.383 24.979 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.927 22.739 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.122 24.017 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.179 23.015 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.258 23.022 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.510 23.286 -6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.669 24.493 -7.319 1.00 0.00 H new ATOM 1013 N ASP A 61 5.012 28.802 -5.885 1.00 0.00 N ATOM 1014 CA ASP A 61 4.096 29.966 -5.751 1.00 0.00 C ATOM 1015 C ASP A 61 3.863 30.520 -7.143 1.00 0.00 C ATOM 1016 O ASP A 61 4.145 31.665 -7.434 1.00 0.00 O ATOM 1017 CB ASP A 61 4.717 31.046 -4.862 1.00 0.00 C ATOM 1018 CG ASP A 61 3.675 32.128 -4.579 1.00 0.00 C ATOM 1019 OD1 ASP A 61 2.532 31.936 -4.963 1.00 0.00 O ATOM 1020 OD2 ASP A 61 4.035 33.124 -3.976 1.00 0.00 O ATOM 0 H ASP A 61 5.993 28.989 -5.679 1.00 0.00 H new ATOM 0 HA ASP A 61 3.159 29.655 -5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.066 30.607 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.587 31.482 -5.353 1.00 0.00 H new ATOM 1025 N GLU A 62 3.360 29.697 -8.009 1.00 0.00 N ATOM 1026 CA GLU A 62 3.113 30.135 -9.402 1.00 0.00 C ATOM 1027 C GLU A 62 2.170 31.336 -9.372 1.00 0.00 C ATOM 1028 O GLU A 62 2.331 32.286 -10.111 1.00 0.00 O ATOM 1029 CB GLU A 62 2.465 28.985 -10.169 1.00 0.00 C ATOM 1030 CG GLU A 62 3.327 27.726 -10.012 1.00 0.00 C ATOM 1031 CD GLU A 62 2.770 26.611 -10.900 1.00 0.00 C ATOM 1032 OE1 GLU A 62 1.775 26.851 -11.563 1.00 0.00 O ATOM 1033 OE2 GLU A 62 3.344 25.535 -10.896 1.00 0.00 O ATOM 0 H GLU A 62 3.107 28.729 -7.810 1.00 0.00 H new ATOM 0 HA GLU A 62 4.046 30.415 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.459 28.801 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.367 29.244 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.359 27.943 -10.287 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.335 27.406 -8.970 1.00 0.00 H new ATOM 1040 N ASP A 63 1.197 31.304 -8.508 1.00 0.00 N ATOM 1041 CA ASP A 63 0.251 32.449 -8.406 1.00 0.00 C ATOM 1042 C ASP A 63 0.994 33.639 -7.794 1.00 0.00 C ATOM 1043 O ASP A 63 0.558 34.770 -7.878 1.00 0.00 O ATOM 1044 CB ASP A 63 -0.917 32.056 -7.502 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.661 30.869 -8.119 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -1.990 30.945 -9.291 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -1.877 29.900 -7.410 1.00 0.00 O ATOM 0 H ASP A 63 1.015 30.533 -7.866 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.130 32.715 -9.392 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.551 31.794 -6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.595 32.900 -7.378 1.00 0.00 H new ATOM 1052 N GLY A 64 2.122 33.383 -7.185 1.00 0.00 N ATOM 1053 CA GLY A 64 2.918 34.488 -6.569 1.00 0.00 C ATOM 1054 C GLY A 64 2.178 35.060 -5.354 1.00 0.00 C ATOM 1055 O GLY A 64 2.328 36.219 -5.025 1.00 0.00 O ATOM 0 H GLY A 64 2.529 32.453 -7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.897 34.116 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.090 35.275 -7.303 1.00 0.00 H new ATOM 1059 N ASP A 65 1.379 34.261 -4.689 1.00 0.00 N ATOM 1060 CA ASP A 65 0.620 34.757 -3.496 1.00 0.00 C ATOM 1061 C ASP A 65 1.211 34.170 -2.213 1.00 0.00 C ATOM 1062 O ASP A 65 0.637 34.285 -1.149 1.00 0.00 O ATOM 1063 CB ASP A 65 -0.844 34.337 -3.631 1.00 0.00 C ATOM 1064 CG ASP A 65 -0.938 32.812 -3.704 1.00 0.00 C ATOM 1065 OD1 ASP A 65 0.097 32.179 -3.829 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -2.046 32.305 -3.647 1.00 0.00 O ATOM 0 H ASP A 65 1.219 33.281 -4.922 1.00 0.00 H new ATOM 0 HA ASP A 65 0.691 35.844 -3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.418 34.706 -2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.279 34.781 -4.526 1.00 0.00 H new ATOM 1071 N GLY A 66 2.346 33.534 -2.299 1.00 0.00 N ATOM 1072 CA GLY A 66 2.954 32.938 -1.076 1.00 0.00 C ATOM 1073 C GLY A 66 2.180 31.673 -0.718 1.00 0.00 C ATOM 1074 O GLY A 66 2.396 31.059 0.308 1.00 0.00 O ATOM 0 H GLY A 66 2.877 33.401 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.004 32.703 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.920 33.649 -0.251 1.00 0.00 H new ATOM 1078 N GLU A 67 1.274 31.291 -1.572 1.00 0.00 N ATOM 1079 CA GLU A 67 0.452 30.073 -1.342 1.00 0.00 C ATOM 1080 C GLU A 67 0.417 29.274 -2.643 1.00 0.00 C ATOM 1081 O GLU A 67 0.168 29.818 -3.701 1.00 0.00 O ATOM 1082 CB GLU A 67 -0.978 30.484 -0.991 1.00 0.00 C ATOM 1083 CG GLU A 67 -0.966 31.481 0.164 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.403 31.879 0.497 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -3.283 31.521 -0.266 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -2.601 32.527 1.511 1.00 0.00 O ATOM 0 H GLU A 67 1.064 31.784 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 67 0.876 29.483 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.461 30.929 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.561 29.605 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.487 31.039 1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.385 32.363 -0.106 1.00 0.00 H new ATOM 1093 N CYS A 68 0.641 27.992 -2.577 1.00 0.00 N ATOM 1094 CA CYS A 68 0.598 27.149 -3.810 1.00 0.00 C ATOM 1095 C CYS A 68 -0.734 26.396 -3.817 1.00 0.00 C ATOM 1096 O CYS A 68 -1.077 25.710 -2.877 1.00 0.00 O ATOM 1097 CB CYS A 68 1.781 26.164 -3.802 1.00 0.00 C ATOM 1098 SG CYS A 68 2.156 25.687 -2.098 1.00 0.00 S ATOM 0 H CYS A 68 0.854 27.486 -1.717 1.00 0.00 H new ATOM 0 HA CYS A 68 0.677 27.765 -4.706 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.537 25.281 -4.393 1.00 0.00 H new ATOM 0 HB3 CYS A 68 2.655 26.625 -4.263 1.00 0.00 H new ATOM 0 HG CYS A 68 3.156 26.393 -1.660 1.00 0.00 H new ATOM 1104 N ASP A 69 -1.493 26.528 -4.866 1.00 0.00 N ATOM 1105 CA ASP A 69 -2.806 25.829 -4.926 1.00 0.00 C ATOM 1106 C ASP A 69 -2.554 24.326 -4.888 1.00 0.00 C ATOM 1107 O ASP A 69 -1.457 23.876 -5.153 1.00 0.00 O ATOM 1108 CB ASP A 69 -3.510 26.202 -6.234 1.00 0.00 C ATOM 1109 CG ASP A 69 -4.983 25.804 -6.160 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -5.346 25.126 -5.214 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -5.723 26.182 -7.053 1.00 0.00 O ATOM 0 H ASP A 69 -1.262 27.090 -5.685 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.433 26.120 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.422 27.274 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.029 25.699 -7.073 1.00 0.00 H new ATOM 1116 N PHE A 70 -3.543 23.530 -4.567 1.00 0.00 N ATOM 1117 CA PHE A 70 -3.294 22.062 -4.536 1.00 0.00 C ATOM 1118 C PHE A 70 -2.719 21.678 -5.897 1.00 0.00 C ATOM 1119 O PHE A 70 -1.901 20.797 -6.013 1.00 0.00 O ATOM 1120 CB PHE A 70 -4.596 21.291 -4.214 1.00 0.00 C ATOM 1121 CG PHE A 70 -5.376 20.929 -5.466 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -6.081 21.912 -6.171 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -5.411 19.596 -5.902 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -6.820 21.560 -7.309 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.143 19.249 -7.039 1.00 0.00 C ATOM 1126 CZ PHE A 70 -6.848 20.226 -7.741 1.00 0.00 C ATOM 0 H PHE A 70 -4.490 23.826 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.587 21.798 -3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.351 20.381 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.223 21.898 -3.561 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.056 22.939 -5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.870 18.836 -5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.367 22.316 -7.853 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.163 18.223 -7.375 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.416 19.955 -8.619 1.00 0.00 H new ATOM 1136 N GLN A 71 -3.120 22.383 -6.918 1.00 0.00 N ATOM 1137 CA GLN A 71 -2.573 22.129 -8.278 1.00 0.00 C ATOM 1138 C GLN A 71 -1.064 22.401 -8.269 1.00 0.00 C ATOM 1139 O GLN A 71 -0.276 21.648 -8.803 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.257 23.087 -9.264 1.00 0.00 C ATOM 1141 CG GLN A 71 -2.490 23.125 -10.590 1.00 0.00 C ATOM 1142 CD GLN A 71 -3.343 23.825 -11.650 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -4.446 24.253 -11.371 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -2.880 23.959 -12.862 1.00 0.00 N ATOM 0 H GLN A 71 -3.811 23.132 -6.866 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.755 21.096 -8.573 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.284 22.766 -9.439 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.304 24.088 -8.835 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.545 23.653 -10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.248 22.112 -10.912 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.955 23.600 -13.097 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.443 24.423 -13.575 1.00 0.00 H new ATOM 1153 N GLU A 72 -0.666 23.490 -7.683 1.00 0.00 N ATOM 1154 CA GLU A 72 0.779 23.841 -7.647 1.00 0.00 C ATOM 1155 C GLU A 72 1.558 22.806 -6.828 1.00 0.00 C ATOM 1156 O GLU A 72 2.651 22.404 -7.191 1.00 0.00 O ATOM 1157 CB GLU A 72 0.914 25.232 -7.030 1.00 0.00 C ATOM 1158 CG GLU A 72 0.485 26.290 -8.047 1.00 0.00 C ATOM 1159 CD GLU A 72 0.411 27.657 -7.363 1.00 0.00 C ATOM 1160 OE1 GLU A 72 -0.607 27.936 -6.751 1.00 0.00 O ATOM 1161 OE2 GLU A 72 1.372 28.402 -7.464 1.00 0.00 O ATOM 0 H GLU A 72 -1.284 24.159 -7.223 1.00 0.00 H new ATOM 0 HA GLU A 72 1.193 23.842 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.298 25.304 -6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.945 25.406 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.194 26.323 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.485 26.030 -8.470 1.00 0.00 H new ATOM 1168 N PHE A 73 1.006 22.356 -5.738 1.00 0.00 N ATOM 1169 CA PHE A 73 1.715 21.342 -4.921 1.00 0.00 C ATOM 1170 C PHE A 73 1.777 20.027 -5.697 1.00 0.00 C ATOM 1171 O PHE A 73 2.681 19.239 -5.518 1.00 0.00 O ATOM 1172 CB PHE A 73 0.975 21.121 -3.602 1.00 0.00 C ATOM 1173 CG PHE A 73 1.660 20.016 -2.839 1.00 0.00 C ATOM 1174 CD1 PHE A 73 1.260 18.689 -3.029 1.00 0.00 C ATOM 1175 CD2 PHE A 73 2.700 20.314 -1.952 1.00 0.00 C ATOM 1176 CE1 PHE A 73 1.900 17.659 -2.333 1.00 0.00 C ATOM 1177 CE2 PHE A 73 3.340 19.284 -1.253 1.00 0.00 C ATOM 1178 CZ PHE A 73 2.940 17.956 -1.444 1.00 0.00 C ATOM 0 H PHE A 73 0.096 22.647 -5.380 1.00 0.00 H new ATOM 0 HA PHE A 73 2.724 21.694 -4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.970 22.039 -3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.066 20.859 -3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.457 18.460 -3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.009 21.339 -1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.592 16.634 -2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.142 19.514 -0.567 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.434 17.161 -0.906 1.00 0.00 H new ATOM 1188 N MET A 74 0.818 19.780 -6.551 1.00 0.00 N ATOM 1189 CA MET A 74 0.820 18.509 -7.328 1.00 0.00 C ATOM 1190 C MET A 74 2.092 18.427 -8.166 1.00 0.00 C ATOM 1191 O MET A 74 2.670 17.370 -8.348 1.00 0.00 O ATOM 1192 CB MET A 74 -0.402 18.424 -8.263 1.00 0.00 C ATOM 1193 CG MET A 74 -1.709 18.171 -7.462 1.00 0.00 C ATOM 1194 SD MET A 74 -2.561 16.706 -8.118 1.00 0.00 S ATOM 1195 CE MET A 74 -1.256 15.493 -7.783 1.00 0.00 C ATOM 0 H MET A 74 0.035 20.404 -6.743 1.00 0.00 H new ATOM 0 HA MET A 74 0.776 17.680 -6.621 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.494 19.350 -8.830 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.255 17.621 -8.986 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.477 18.026 -6.407 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.361 19.042 -7.528 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.826 15.151 -8.725 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.478 15.954 -7.175 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.678 14.643 -7.247 1.00 0.00 H new ATOM 1205 N ALA A 75 2.519 19.525 -8.713 1.00 0.00 N ATOM 1206 CA ALA A 75 3.736 19.480 -9.564 1.00 0.00 C ATOM 1207 C ALA A 75 4.974 19.197 -8.711 1.00 0.00 C ATOM 1208 O ALA A 75 5.901 18.545 -9.145 1.00 0.00 O ATOM 1209 CB ALA A 75 3.893 20.810 -10.313 1.00 0.00 C ATOM 0 H ALA A 75 2.085 20.442 -8.611 1.00 0.00 H new ATOM 0 HA ALA A 75 3.631 18.674 -10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.787 20.773 -10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.019 20.979 -10.942 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.985 21.624 -9.594 1.00 0.00 H new ATOM 1215 N PHE A 76 4.999 19.673 -7.508 1.00 0.00 N ATOM 1216 CA PHE A 76 6.181 19.415 -6.635 1.00 0.00 C ATOM 1217 C PHE A 76 6.360 17.915 -6.443 1.00 0.00 C ATOM 1218 O PHE A 76 7.454 17.405 -6.425 1.00 0.00 O ATOM 1219 CB PHE A 76 5.949 20.088 -5.283 1.00 0.00 C ATOM 1220 CG PHE A 76 7.127 19.850 -4.369 1.00 0.00 C ATOM 1221 CD1 PHE A 76 8.297 20.598 -4.529 1.00 0.00 C ATOM 1222 CD2 PHE A 76 7.043 18.888 -3.354 1.00 0.00 C ATOM 1223 CE1 PHE A 76 9.382 20.389 -3.676 1.00 0.00 C ATOM 1224 CE2 PHE A 76 8.130 18.678 -2.499 1.00 0.00 C ATOM 1225 CZ PHE A 76 9.301 19.430 -2.659 1.00 0.00 C ATOM 0 H PHE A 76 4.257 20.230 -7.084 1.00 0.00 H new ATOM 0 HA PHE A 76 7.081 19.820 -7.098 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.800 21.159 -5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.040 19.696 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.362 21.338 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.140 18.309 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.285 20.968 -3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.066 17.937 -1.716 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.140 19.270 -1.999 1.00 0.00 H new ATOM 1235 N VAL A 77 5.286 17.222 -6.280 1.00 0.00 N ATOM 1236 CA VAL A 77 5.346 15.749 -6.063 1.00 0.00 C ATOM 1237 C VAL A 77 6.001 15.061 -7.257 1.00 0.00 C ATOM 1238 O VAL A 77 6.719 14.095 -7.108 1.00 0.00 O ATOM 1239 CB VAL A 77 3.919 15.199 -5.871 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.940 14.012 -4.913 1.00 0.00 C ATOM 1241 CG2 VAL A 77 3.027 16.297 -5.302 1.00 0.00 C ATOM 0 H VAL A 77 4.344 17.613 -6.286 1.00 0.00 H new ATOM 0 HA VAL A 77 5.941 15.549 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 77 3.529 14.871 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.927 13.631 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.574 13.226 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.333 14.330 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.017 15.911 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.423 16.626 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.003 17.140 -5.992 1.00 0.00 H new ATOM 1251 N SER A 78 5.735 15.524 -8.441 1.00 0.00 N ATOM 1252 CA SER A 78 6.329 14.859 -9.633 1.00 0.00 C ATOM 1253 C SER A 78 7.843 14.990 -9.608 1.00 0.00 C ATOM 1254 O SER A 78 8.561 14.077 -9.964 1.00 0.00 O ATOM 1255 CB SER A 78 5.807 15.511 -10.912 1.00 0.00 C ATOM 1256 OG SER A 78 5.970 16.918 -10.825 1.00 0.00 O ATOM 0 H SER A 78 5.138 16.327 -8.637 1.00 0.00 H new ATOM 0 HA SER A 78 6.049 13.806 -9.611 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.346 15.124 -11.777 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.755 15.264 -11.056 1.00 0.00 H new ATOM 0 HG SER A 78 6.140 17.171 -9.894 1.00 0.00 H new ATOM 1262 N MET A 79 8.339 16.125 -9.219 1.00 0.00 N ATOM 1263 CA MET A 79 9.812 16.305 -9.214 1.00 0.00 C ATOM 1264 C MET A 79 10.469 15.492 -8.097 1.00 0.00 C ATOM 1265 O MET A 79 11.486 14.859 -8.298 1.00 0.00 O ATOM 1266 CB MET A 79 10.143 17.791 -9.028 1.00 0.00 C ATOM 1267 CG MET A 79 9.555 18.629 -10.188 1.00 0.00 C ATOM 1268 SD MET A 79 10.748 19.897 -10.708 1.00 0.00 S ATOM 1269 CE MET A 79 11.192 20.523 -9.068 1.00 0.00 C ATOM 0 H MET A 79 7.795 16.929 -8.907 1.00 0.00 H new ATOM 0 HA MET A 79 10.203 15.950 -10.168 1.00 0.00 H new ATOM 0 HB2 MET A 79 9.741 18.143 -8.078 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.224 17.926 -8.986 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.312 17.980 -11.029 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.625 19.101 -9.871 1.00 0.00 H new ATOM 0 HE1 MET A 79 11.545 21.551 -9.154 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.317 20.493 -8.418 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.981 19.903 -8.643 1.00 0.00 H new ATOM 1279 N VAL A 80 9.919 15.505 -6.921 1.00 0.00 N ATOM 1280 CA VAL A 80 10.565 14.740 -5.814 1.00 0.00 C ATOM 1281 C VAL A 80 10.586 13.250 -6.140 1.00 0.00 C ATOM 1282 O VAL A 80 11.531 12.552 -5.827 1.00 0.00 O ATOM 1283 CB VAL A 80 9.845 14.976 -4.490 1.00 0.00 C ATOM 1284 CG1 VAL A 80 10.600 14.238 -3.376 1.00 0.00 C ATOM 1285 CG2 VAL A 80 9.821 16.478 -4.184 1.00 0.00 C ATOM 0 H VAL A 80 9.063 16.002 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 80 11.590 15.096 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 80 8.822 14.605 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.094 14.400 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.624 13.171 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.620 14.618 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.307 16.648 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.843 16.851 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.296 17.004 -4.982 1.00 0.00 H new ATOM 1295 N THR A 81 9.562 12.752 -6.764 1.00 0.00 N ATOM 1296 CA THR A 81 9.545 11.305 -7.104 1.00 0.00 C ATOM 1297 C THR A 81 10.734 11.016 -8.003 1.00 0.00 C ATOM 1298 O THR A 81 11.385 10.001 -7.897 1.00 0.00 O ATOM 1299 CB THR A 81 8.265 10.941 -7.854 1.00 0.00 C ATOM 1300 OG1 THR A 81 7.139 11.237 -7.044 1.00 0.00 O ATOM 1301 CG2 THR A 81 8.281 9.441 -8.187 1.00 0.00 C ATOM 0 H THR A 81 8.738 13.280 -7.053 1.00 0.00 H new ATOM 0 HA THR A 81 9.592 10.719 -6.186 1.00 0.00 H new ATOM 0 HB THR A 81 8.206 11.518 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.968 12.202 -7.062 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.369 9.177 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.146 9.216 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.340 8.864 -7.264 1.00 0.00 H new ATOM 1309 N THR A 82 11.005 11.908 -8.903 1.00 0.00 N ATOM 1310 CA THR A 82 12.135 11.712 -9.839 1.00 0.00 C ATOM 1311 C THR A 82 13.398 11.396 -9.026 1.00 0.00 C ATOM 1312 O THR A 82 14.175 10.530 -9.378 1.00 0.00 O ATOM 1313 CB THR A 82 12.310 13.017 -10.645 1.00 0.00 C ATOM 1314 OG1 THR A 82 11.054 13.676 -10.729 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.806 12.723 -12.062 1.00 0.00 C ATOM 0 H THR A 82 10.485 12.776 -9.032 1.00 0.00 H new ATOM 0 HA THR A 82 11.950 10.885 -10.525 1.00 0.00 H new ATOM 0 HB THR A 82 13.045 13.643 -10.139 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.353 13.020 -10.923 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.921 13.659 -12.609 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.767 12.211 -12.012 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.084 12.089 -12.576 1.00 0.00 H new ATOM 1323 N ALA A 83 13.591 12.071 -7.926 1.00 0.00 N ATOM 1324 CA ALA A 83 14.784 11.788 -7.076 1.00 0.00 C ATOM 1325 C ALA A 83 14.703 10.344 -6.571 1.00 0.00 C ATOM 1326 O ALA A 83 15.698 9.656 -6.462 1.00 0.00 O ATOM 1327 CB ALA A 83 14.824 12.767 -5.891 1.00 0.00 C ATOM 0 H ALA A 83 12.975 12.806 -7.579 1.00 0.00 H new ATOM 0 HA ALA A 83 15.695 11.916 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.697 12.556 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.883 13.789 -6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.920 12.651 -5.293 1.00 0.00 H new ATOM 1333 N CYS A 84 13.521 9.885 -6.264 1.00 0.00 N ATOM 1334 CA CYS A 84 13.362 8.488 -5.767 1.00 0.00 C ATOM 1335 C CYS A 84 13.872 7.509 -6.829 1.00 0.00 C ATOM 1336 O CYS A 84 14.497 6.515 -6.518 1.00 0.00 O ATOM 1337 CB CYS A 84 11.882 8.209 -5.485 1.00 0.00 C ATOM 1338 SG CYS A 84 11.233 9.488 -4.380 1.00 0.00 S ATOM 0 H CYS A 84 12.655 10.419 -6.336 1.00 0.00 H new ATOM 0 HA CYS A 84 13.936 8.362 -4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.318 8.197 -6.418 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.766 7.225 -5.030 1.00 0.00 H new ATOM 0 HG CYS A 84 11.355 10.652 -4.945 1.00 0.00 H new ATOM 1344 N HIS A 85 13.611 7.779 -8.081 1.00 0.00 N ATOM 1345 CA HIS A 85 14.084 6.858 -9.155 1.00 0.00 C ATOM 1346 C HIS A 85 15.606 6.761 -9.099 1.00 0.00 C ATOM 1347 O HIS A 85 16.174 5.698 -9.249 1.00 0.00 O ATOM 1348 CB HIS A 85 13.657 7.402 -10.520 1.00 0.00 C ATOM 1349 CG HIS A 85 14.148 6.484 -11.608 1.00 0.00 C ATOM 1350 ND1 HIS A 85 15.489 6.396 -11.955 1.00 0.00 N ATOM 1351 CD2 HIS A 85 13.490 5.613 -12.439 1.00 0.00 C ATOM 1352 CE1 HIS A 85 15.592 5.500 -12.955 1.00 0.00 C ATOM 1353 NE2 HIS A 85 14.403 4.994 -13.283 1.00 0.00 N ATOM 0 H HIS A 85 13.092 8.595 -8.405 1.00 0.00 H new ATOM 0 HA HIS A 85 13.648 5.870 -9.008 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.571 7.487 -10.565 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.061 8.404 -10.666 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.425 5.436 -12.437 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.521 5.226 -13.432 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.205 4.299 -14.002 1.00 0.00 H new ATOM 1362 N GLU A 86 16.272 7.853 -8.862 1.00 0.00 N ATOM 1363 CA GLU A 86 17.753 7.800 -8.772 1.00 0.00 C ATOM 1364 C GLU A 86 18.132 6.853 -7.634 1.00 0.00 C ATOM 1365 O GLU A 86 19.069 6.086 -7.727 1.00 0.00 O ATOM 1366 CB GLU A 86 18.315 9.194 -8.477 1.00 0.00 C ATOM 1367 CG GLU A 86 18.134 10.098 -9.699 1.00 0.00 C ATOM 1368 CD GLU A 86 18.699 11.486 -9.392 1.00 0.00 C ATOM 1369 OE1 GLU A 86 19.026 11.728 -8.242 1.00 0.00 O ATOM 1370 OE2 GLU A 86 18.804 12.279 -10.312 1.00 0.00 O ATOM 0 H GLU A 86 15.857 8.775 -8.727 1.00 0.00 H new ATOM 0 HA GLU A 86 18.166 7.448 -9.718 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.806 9.626 -7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.372 9.123 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.643 9.668 -10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.078 10.172 -9.957 1.00 0.00 H new ATOM 1377 N PHE A 87 17.402 6.913 -6.553 1.00 0.00 N ATOM 1378 CA PHE A 87 17.696 6.033 -5.388 1.00 0.00 C ATOM 1379 C PHE A 87 17.100 4.648 -5.624 1.00 0.00 C ATOM 1380 O PHE A 87 17.671 3.640 -5.259 1.00 0.00 O ATOM 1381 CB PHE A 87 17.068 6.636 -4.132 1.00 0.00 C ATOM 1382 CG PHE A 87 17.504 5.848 -2.922 1.00 0.00 C ATOM 1383 CD1 PHE A 87 16.773 4.725 -2.515 1.00 0.00 C ATOM 1384 CD2 PHE A 87 18.637 6.245 -2.203 1.00 0.00 C ATOM 1385 CE1 PHE A 87 17.178 3.998 -1.388 1.00 0.00 C ATOM 1386 CE2 PHE A 87 19.041 5.519 -1.077 1.00 0.00 C ATOM 1387 CZ PHE A 87 18.312 4.396 -0.669 1.00 0.00 C ATOM 0 H PHE A 87 16.608 7.540 -6.427 1.00 0.00 H new ATOM 0 HA PHE A 87 18.776 5.949 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 87 17.368 7.679 -4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.981 6.624 -4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.898 4.420 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 87 19.200 7.112 -2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.616 3.131 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 87 19.916 5.825 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 87 18.624 3.836 0.200 1.00 0.00 H new ATOM 1397 N PHE A 88 15.942 4.598 -6.215 1.00 0.00 N ATOM 1398 CA PHE A 88 15.279 3.290 -6.467 1.00 0.00 C ATOM 1399 C PHE A 88 15.885 2.649 -7.724 1.00 0.00 C ATOM 1400 O PHE A 88 15.207 2.404 -8.701 1.00 0.00 O ATOM 1401 CB PHE A 88 13.767 3.543 -6.657 1.00 0.00 C ATOM 1402 CG PHE A 88 12.952 2.371 -6.141 1.00 0.00 C ATOM 1403 CD1 PHE A 88 13.104 1.105 -6.718 1.00 0.00 C ATOM 1404 CD2 PHE A 88 12.041 2.555 -5.088 1.00 0.00 C ATOM 1405 CE1 PHE A 88 12.351 0.025 -6.247 1.00 0.00 C ATOM 1406 CE2 PHE A 88 11.288 1.473 -4.619 1.00 0.00 C ATOM 1407 CZ PHE A 88 11.442 0.208 -5.198 1.00 0.00 C ATOM 0 H PHE A 88 15.421 5.414 -6.537 1.00 0.00 H new ATOM 0 HA PHE A 88 15.430 2.611 -5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.477 4.452 -6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.551 3.704 -7.713 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.804 0.962 -7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.922 3.531 -4.641 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.471 -0.951 -6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.587 1.614 -3.809 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.860 -0.626 -4.836 1.00 0.00 H new ATOM 1464 N MET B 0 -2.558 10.075 5.166 1.00 0.00 N ATOM 1465 CA MET B 0 -1.927 8.976 5.945 1.00 0.00 C ATOM 1466 C MET B 0 -0.420 8.963 5.681 1.00 0.00 C ATOM 1467 O MET B 0 0.260 8.002 5.978 1.00 0.00 O ATOM 1468 CB MET B 0 -2.527 7.637 5.510 1.00 0.00 C ATOM 1469 CG MET B 0 -4.039 7.650 5.752 1.00 0.00 C ATOM 1470 SD MET B 0 -4.377 7.802 7.526 1.00 0.00 S ATOM 1471 CE MET B 0 -3.684 6.212 8.049 1.00 0.00 C ATOM 0 H1 MET B 0 -3.555 10.172 5.447 1.00 0.00 H new ATOM 0 H2 MET B 0 -2.057 10.967 5.355 1.00 0.00 H new ATOM 0 H3 MET B 0 -2.504 9.856 4.151 1.00 0.00 H new ATOM 0 HA MET B 0 -2.110 9.133 7.008 1.00 0.00 H new ATOM 0 HB2 MET B 0 -2.319 7.459 4.455 1.00 0.00 H new ATOM 0 HB3 MET B 0 -2.066 6.822 6.068 1.00 0.00 H new ATOM 0 HG2 MET B 0 -4.495 8.480 5.213 1.00 0.00 H new ATOM 0 HG3 MET B 0 -4.486 6.735 5.365 1.00 0.00 H new ATOM 0 HE1 MET B 0 -4.206 5.863 8.940 1.00 0.00 H new ATOM 0 HE2 MET B 0 -3.804 5.482 7.249 1.00 0.00 H new ATOM 0 HE3 MET B 0 -2.624 6.333 8.274 1.00 0.00 H new ATOM 1483 N SER B 1 0.109 10.019 5.121 1.00 0.00 N ATOM 1484 CA SER B 1 1.574 10.053 4.840 1.00 0.00 C ATOM 1485 C SER B 1 1.933 8.902 3.892 1.00 0.00 C ATOM 1486 O SER B 1 3.078 8.515 3.770 1.00 0.00 O ATOM 1487 CB SER B 1 2.349 9.904 6.153 1.00 0.00 C ATOM 1488 OG SER B 1 1.683 10.636 7.174 1.00 0.00 O ATOM 0 H SER B 1 -0.407 10.855 4.847 1.00 0.00 H new ATOM 0 HA SER B 1 1.838 11.002 4.374 1.00 0.00 H new ATOM 0 HB2 SER B 1 2.420 8.852 6.430 1.00 0.00 H new ATOM 0 HB3 SER B 1 3.368 10.271 6.031 1.00 0.00 H new ATOM 0 HG SER B 1 2.174 10.543 8.017 1.00 0.00 H new ATOM 1494 N GLU B 2 0.957 8.364 3.217 1.00 0.00 N ATOM 1495 CA GLU B 2 1.213 7.246 2.265 1.00 0.00 C ATOM 1496 C GLU B 2 1.867 7.810 1.008 1.00 0.00 C ATOM 1497 O GLU B 2 1.923 7.168 -0.022 1.00 0.00 O ATOM 1498 CB GLU B 2 -0.115 6.571 1.901 1.00 0.00 C ATOM 1499 CG GLU B 2 -1.066 7.600 1.282 1.00 0.00 C ATOM 1500 CD GLU B 2 -2.404 6.931 0.957 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -2.429 5.715 0.857 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -3.382 7.647 0.814 1.00 0.00 O ATOM 0 H GLU B 2 -0.019 8.654 3.284 1.00 0.00 H new ATOM 0 HA GLU B 2 1.873 6.509 2.723 1.00 0.00 H new ATOM 0 HB2 GLU B 2 0.061 5.756 1.199 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -0.567 6.133 2.791 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -1.221 8.429 1.973 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -0.627 8.017 0.376 1.00 0.00 H new ATOM 1509 N LEU B 3 2.342 9.020 1.084 1.00 0.00 N ATOM 1510 CA LEU B 3 2.971 9.657 -0.104 1.00 0.00 C ATOM 1511 C LEU B 3 4.171 8.847 -0.580 1.00 0.00 C ATOM 1512 O LEU B 3 4.426 8.753 -1.755 1.00 0.00 O ATOM 1513 CB LEU B 3 3.427 11.082 0.250 1.00 0.00 C ATOM 1514 CG LEU B 3 4.095 11.745 -0.962 1.00 0.00 C ATOM 1515 CD1 LEU B 3 3.127 11.755 -2.155 1.00 0.00 C ATOM 1516 CD2 LEU B 3 4.477 13.185 -0.594 1.00 0.00 C ATOM 0 H LEU B 3 2.321 9.599 1.924 1.00 0.00 H new ATOM 0 HA LEU B 3 2.232 9.694 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU B 3 2.571 11.675 0.572 1.00 0.00 H new ATOM 0 HB3 LEU B 3 4.125 11.050 1.086 1.00 0.00 H new ATOM 0 HG LEU B 3 4.988 11.184 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU B 3 3.609 12.227 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.855 10.731 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU B 3 2.229 12.314 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.953 13.665 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.580 13.740 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU B 3 5.170 13.174 0.248 1.00 0.00 H new ATOM 1528 N GLU B 4 4.929 8.296 0.311 1.00 0.00 N ATOM 1529 CA GLU B 4 6.132 7.518 -0.116 1.00 0.00 C ATOM 1530 C GLU B 4 5.723 6.342 -1.011 1.00 0.00 C ATOM 1531 O GLU B 4 6.389 6.026 -1.976 1.00 0.00 O ATOM 1532 CB GLU B 4 6.872 7.002 1.120 1.00 0.00 C ATOM 1533 CG GLU B 4 8.148 6.276 0.688 1.00 0.00 C ATOM 1534 CD GLU B 4 8.952 5.872 1.926 1.00 0.00 C ATOM 1535 OE1 GLU B 4 8.520 6.195 3.021 1.00 0.00 O ATOM 1536 OE2 GLU B 4 9.987 5.248 1.758 1.00 0.00 O ATOM 0 H GLU B 4 4.776 8.345 1.318 1.00 0.00 H new ATOM 0 HA GLU B 4 6.791 8.172 -0.687 1.00 0.00 H new ATOM 0 HB2 GLU B 4 7.120 7.832 1.781 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.230 6.326 1.685 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.895 5.393 0.102 1.00 0.00 H new ATOM 0 HG3 GLU B 4 8.748 6.923 0.047 1.00 0.00 H new ATOM 1543 N LYS B 5 4.646 5.687 -0.694 1.00 0.00 N ATOM 1544 CA LYS B 5 4.209 4.520 -1.523 1.00 0.00 C ATOM 1545 C LYS B 5 3.717 5.006 -2.884 1.00 0.00 C ATOM 1546 O LYS B 5 3.913 4.357 -3.888 1.00 0.00 O ATOM 1547 CB LYS B 5 3.088 3.757 -0.789 1.00 0.00 C ATOM 1548 CG LYS B 5 3.686 2.687 0.138 1.00 0.00 C ATOM 1549 CD LYS B 5 4.592 3.332 1.197 1.00 0.00 C ATOM 1550 CE LYS B 5 3.785 4.288 2.086 1.00 0.00 C ATOM 1551 NZ LYS B 5 4.473 4.437 3.401 1.00 0.00 N ATOM 0 H LYS B 5 4.045 5.904 0.101 1.00 0.00 H new ATOM 0 HA LYS B 5 5.053 3.848 -1.677 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.485 4.455 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS B 5 2.423 3.288 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.885 2.133 0.627 1.00 0.00 H new ATOM 0 HG3 LYS B 5 4.258 1.969 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS B 5 5.053 2.558 1.810 1.00 0.00 H new ATOM 0 HD3 LYS B 5 5.401 3.876 0.709 1.00 0.00 H new ATOM 0 HE2 LYS B 5 3.688 5.259 1.601 1.00 0.00 H new ATOM 0 HE3 LYS B 5 2.776 3.903 2.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 3.929 5.084 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 4.543 3.508 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.427 4.823 3.252 1.00 0.00 H new ATOM 1565 N ALA B 6 3.062 6.125 -2.924 1.00 0.00 N ATOM 1566 CA ALA B 6 2.544 6.632 -4.221 1.00 0.00 C ATOM 1567 C ALA B 6 3.696 7.055 -5.137 1.00 0.00 C ATOM 1568 O ALA B 6 3.665 6.815 -6.325 1.00 0.00 O ATOM 1569 CB ALA B 6 1.624 7.821 -3.958 1.00 0.00 C ATOM 0 H ALA B 6 2.861 6.713 -2.115 1.00 0.00 H new ATOM 0 HA ALA B 6 1.989 5.837 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA B 6 1.239 8.200 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.792 7.505 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.183 8.609 -3.453 1.00 0.00 H new ATOM 1575 N MET B 7 4.710 7.681 -4.608 1.00 0.00 N ATOM 1576 CA MET B 7 5.844 8.104 -5.475 1.00 0.00 C ATOM 1577 C MET B 7 6.497 6.865 -6.065 1.00 0.00 C ATOM 1578 O MET B 7 6.875 6.829 -7.218 1.00 0.00 O ATOM 1579 CB MET B 7 6.889 8.853 -4.647 1.00 0.00 C ATOM 1580 CG MET B 7 6.342 10.212 -4.213 1.00 0.00 C ATOM 1581 SD MET B 7 7.659 11.139 -3.390 1.00 0.00 S ATOM 1582 CE MET B 7 6.929 12.779 -3.584 1.00 0.00 C ATOM 0 H MET B 7 4.802 7.917 -3.620 1.00 0.00 H new ATOM 0 HA MET B 7 5.468 8.757 -6.263 1.00 0.00 H new ATOM 0 HB2 MET B 7 7.159 8.265 -3.770 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.798 8.989 -5.232 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.976 10.765 -5.078 1.00 0.00 H new ATOM 0 HG3 MET B 7 5.496 10.080 -3.538 1.00 0.00 H new ATOM 0 HE1 MET B 7 7.457 13.490 -2.949 1.00 0.00 H new ATOM 0 HE2 MET B 7 7.010 13.093 -4.625 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.878 12.746 -3.296 1.00 0.00 H new ATOM 1592 N VAL B 8 6.621 5.843 -5.273 1.00 0.00 N ATOM 1593 CA VAL B 8 7.241 4.588 -5.767 1.00 0.00 C ATOM 1594 C VAL B 8 6.379 4.032 -6.896 1.00 0.00 C ATOM 1595 O VAL B 8 6.873 3.515 -7.872 1.00 0.00 O ATOM 1596 CB VAL B 8 7.337 3.568 -4.628 1.00 0.00 C ATOM 1597 CG1 VAL B 8 7.768 2.208 -5.188 1.00 0.00 C ATOM 1598 CG2 VAL B 8 8.373 4.045 -3.608 1.00 0.00 C ATOM 0 H VAL B 8 6.318 5.822 -4.299 1.00 0.00 H new ATOM 0 HA VAL B 8 8.247 4.790 -6.135 1.00 0.00 H new ATOM 0 HB VAL B 8 6.364 3.470 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL B 8 7.835 1.485 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL B 8 7.034 1.866 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.741 2.305 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL B 8 8.444 3.321 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL B 8 9.344 4.142 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL B 8 8.070 5.012 -3.207 1.00 0.00 H new ATOM 1608 N ALA B 9 5.089 4.114 -6.743 1.00 0.00 N ATOM 1609 CA ALA B 9 4.160 3.572 -7.779 1.00 0.00 C ATOM 1610 C ALA B 9 4.324 4.304 -9.113 1.00 0.00 C ATOM 1611 O ALA B 9 4.249 3.703 -10.160 1.00 0.00 O ATOM 1612 CB ALA B 9 2.718 3.716 -7.303 1.00 0.00 C ATOM 0 H ALA B 9 4.630 4.538 -5.936 1.00 0.00 H new ATOM 0 HA ALA B 9 4.403 2.520 -7.930 1.00 0.00 H new ATOM 0 HB1 ALA B 9 2.043 3.319 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA B 9 2.585 3.162 -6.374 1.00 0.00 H new ATOM 0 HB3 ALA B 9 2.494 4.769 -7.133 1.00 0.00 H new ATOM 1618 N LEU B 10 4.523 5.591 -9.099 1.00 0.00 N ATOM 1619 CA LEU B 10 4.661 6.315 -10.396 1.00 0.00 C ATOM 1620 C LEU B 10 5.850 5.727 -11.142 1.00 0.00 C ATOM 1621 O LEU B 10 5.826 5.549 -12.342 1.00 0.00 O ATOM 1622 CB LEU B 10 4.919 7.813 -10.144 1.00 0.00 C ATOM 1623 CG LEU B 10 3.602 8.582 -9.983 1.00 0.00 C ATOM 1624 CD1 LEU B 10 2.969 8.255 -8.628 1.00 0.00 C ATOM 1625 CD2 LEU B 10 3.898 10.084 -10.059 1.00 0.00 C ATOM 0 H LEU B 10 4.596 6.168 -8.261 1.00 0.00 H new ATOM 0 HA LEU B 10 3.745 6.207 -10.977 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.526 7.934 -9.247 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.489 8.231 -10.974 1.00 0.00 H new ATOM 0 HG LEU B 10 2.910 8.295 -10.775 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.034 8.805 -8.521 1.00 0.00 H new ATOM 0 HD12 LEU B 10 2.770 7.185 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU B 10 3.652 8.542 -7.829 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.970 10.644 -9.946 1.00 0.00 H new ATOM 0 HD22 LEU B 10 4.588 10.360 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.348 10.318 -11.024 1.00 0.00 H new ATOM 1637 N ILE B 11 6.890 5.434 -10.430 1.00 0.00 N ATOM 1638 CA ILE B 11 8.098 4.866 -11.070 1.00 0.00 C ATOM 1639 C ILE B 11 7.819 3.439 -11.574 1.00 0.00 C ATOM 1640 O ILE B 11 8.284 3.049 -12.625 1.00 0.00 O ATOM 1641 CB ILE B 11 9.253 4.868 -10.062 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.631 6.325 -9.741 1.00 0.00 C ATOM 1643 CG2 ILE B 11 10.456 4.136 -10.667 1.00 0.00 C ATOM 1644 CD1 ILE B 11 10.634 6.376 -8.579 1.00 0.00 C ATOM 0 H ILE B 11 6.957 5.565 -9.421 1.00 0.00 H new ATOM 0 HA ILE B 11 8.373 5.477 -11.929 1.00 0.00 H new ATOM 0 HB ILE B 11 8.952 4.360 -9.146 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.063 6.798 -10.623 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.736 6.891 -9.482 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.279 4.136 -9.952 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.177 3.108 -10.900 1.00 0.00 H new ATOM 0 HG23 ILE B 11 10.769 4.643 -11.580 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.891 7.414 -8.365 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.188 5.922 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE B 11 11.536 5.828 -8.852 1.00 0.00 H new ATOM 1656 N ASP B 12 7.088 2.651 -10.829 1.00 0.00 N ATOM 1657 CA ASP B 12 6.807 1.244 -11.265 1.00 0.00 C ATOM 1658 C ASP B 12 6.055 1.210 -12.600 1.00 0.00 C ATOM 1659 O ASP B 12 6.365 0.437 -13.484 1.00 0.00 O ATOM 1660 CB ASP B 12 5.925 0.566 -10.212 1.00 0.00 C ATOM 1661 CG ASP B 12 6.738 0.294 -8.946 1.00 0.00 C ATOM 1662 OD1 ASP B 12 7.955 0.304 -9.032 1.00 0.00 O ATOM 1663 OD2 ASP B 12 6.129 0.078 -7.912 1.00 0.00 O ATOM 0 H ASP B 12 6.672 2.918 -9.937 1.00 0.00 H new ATOM 0 HA ASP B 12 7.761 0.730 -11.381 1.00 0.00 H new ATOM 0 HB2 ASP B 12 5.072 1.202 -9.976 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.527 -0.369 -10.606 1.00 0.00 H new ATOM 1668 N VAL B 13 5.043 2.011 -12.722 1.00 0.00 N ATOM 1669 CA VAL B 13 4.216 2.016 -13.959 1.00 0.00 C ATOM 1670 C VAL B 13 5.010 2.605 -15.136 1.00 0.00 C ATOM 1671 O VAL B 13 4.930 2.140 -16.264 1.00 0.00 O ATOM 1672 CB VAL B 13 2.925 2.817 -13.655 1.00 0.00 C ATOM 1673 CG1 VAL B 13 3.031 4.276 -14.126 1.00 0.00 C ATOM 1674 CG2 VAL B 13 1.721 2.144 -14.317 1.00 0.00 C ATOM 0 H VAL B 13 4.746 2.675 -12.007 1.00 0.00 H new ATOM 0 HA VAL B 13 3.946 1.002 -14.255 1.00 0.00 H new ATOM 0 HB VAL B 13 2.792 2.826 -12.573 1.00 0.00 H new ATOM 0 HG11 VAL B 13 2.105 4.802 -13.894 1.00 0.00 H new ATOM 0 HG12 VAL B 13 3.862 4.763 -13.617 1.00 0.00 H new ATOM 0 HG13 VAL B 13 3.201 4.299 -15.202 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.819 2.715 -14.097 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.873 2.106 -15.396 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.612 1.131 -13.930 1.00 0.00 H new ATOM 1684 N PHE B 14 5.772 3.623 -14.879 1.00 0.00 N ATOM 1685 CA PHE B 14 6.563 4.251 -15.965 1.00 0.00 C ATOM 1686 C PHE B 14 7.505 3.214 -16.554 1.00 0.00 C ATOM 1687 O PHE B 14 7.713 3.164 -17.739 1.00 0.00 O ATOM 1688 CB PHE B 14 7.388 5.407 -15.393 1.00 0.00 C ATOM 1689 CG PHE B 14 8.282 5.975 -16.469 1.00 0.00 C ATOM 1690 CD1 PHE B 14 9.564 5.443 -16.660 1.00 0.00 C ATOM 1691 CD2 PHE B 14 7.838 7.033 -17.269 1.00 0.00 C ATOM 1692 CE1 PHE B 14 10.399 5.967 -17.652 1.00 0.00 C ATOM 1693 CE2 PHE B 14 8.675 7.558 -18.261 1.00 0.00 C ATOM 1694 CZ PHE B 14 9.955 7.024 -18.453 1.00 0.00 C ATOM 0 H PHE B 14 5.882 4.050 -13.959 1.00 0.00 H new ATOM 0 HA PHE B 14 5.891 4.628 -16.736 1.00 0.00 H new ATOM 0 HB2 PHE B 14 6.726 6.183 -15.009 1.00 0.00 H new ATOM 0 HB3 PHE B 14 7.990 5.057 -14.554 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.908 4.628 -16.041 1.00 0.00 H new ATOM 0 HD2 PHE B 14 6.850 7.445 -17.122 1.00 0.00 H new ATOM 0 HE1 PHE B 14 11.387 5.555 -17.799 1.00 0.00 H new ATOM 0 HE2 PHE B 14 8.333 8.375 -18.879 1.00 0.00 H new ATOM 0 HZ PHE B 14 10.599 7.428 -19.220 1.00 0.00 H new ATOM 1704 N HIS B 15 8.084 2.397 -15.734 1.00 0.00 N ATOM 1705 CA HIS B 15 9.023 1.370 -16.248 1.00 0.00 C ATOM 1706 C HIS B 15 8.280 0.358 -17.120 1.00 0.00 C ATOM 1707 O HIS B 15 8.867 -0.281 -17.967 1.00 0.00 O ATOM 1708 CB HIS B 15 9.671 0.650 -15.069 1.00 0.00 C ATOM 1709 CG HIS B 15 10.697 -0.325 -15.576 1.00 0.00 C ATOM 1710 ND1 HIS B 15 10.449 -1.688 -15.639 1.00 0.00 N ATOM 1711 CD2 HIS B 15 11.976 -0.152 -16.043 1.00 0.00 C ATOM 1712 CE1 HIS B 15 11.554 -2.279 -16.129 1.00 0.00 C ATOM 1713 NE2 HIS B 15 12.511 -1.387 -16.390 1.00 0.00 N ATOM 0 H HIS B 15 7.948 2.394 -14.723 1.00 0.00 H new ATOM 0 HA HIS B 15 9.788 1.857 -16.853 1.00 0.00 H new ATOM 0 HB2 HIS B 15 10.140 1.373 -14.402 1.00 0.00 H new ATOM 0 HB3 HIS B 15 8.912 0.126 -14.488 1.00 0.00 H new ATOM 0 HD2 HIS B 15 12.487 0.796 -16.128 1.00 0.00 H new ATOM 0 HE1 HIS B 15 11.654 -3.342 -16.291 1.00 0.00 H new ATOM 0 HE2 HIS B 15 13.441 -1.573 -16.766 1.00 0.00 H new ATOM 1722 N GLN B 16 7.005 0.180 -16.920 1.00 0.00 N ATOM 1723 CA GLN B 16 6.285 -0.813 -17.754 1.00 0.00 C ATOM 1724 C GLN B 16 6.339 -0.391 -19.226 1.00 0.00 C ATOM 1725 O GLN B 16 6.542 -1.208 -20.101 1.00 0.00 O ATOM 1726 CB GLN B 16 4.829 -0.910 -17.291 1.00 0.00 C ATOM 1727 CG GLN B 16 4.779 -1.560 -15.905 1.00 0.00 C ATOM 1728 CD GLN B 16 5.173 -3.037 -16.003 1.00 0.00 C ATOM 1729 OE1 GLN B 16 5.728 -3.590 -15.074 1.00 0.00 O ATOM 1730 NE2 GLN B 16 4.902 -3.708 -17.090 1.00 0.00 N ATOM 0 H GLN B 16 6.440 0.671 -16.227 1.00 0.00 H new ATOM 0 HA GLN B 16 6.761 -1.788 -17.648 1.00 0.00 H new ATOM 0 HB2 GLN B 16 4.380 0.083 -17.256 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.248 -1.498 -18.002 1.00 0.00 H new ATOM 0 HG2 GLN B 16 5.454 -1.040 -15.226 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.776 -1.470 -15.488 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.436 -3.247 -17.871 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.156 -4.694 -17.158 1.00 0.00 H new ATOM 1739 N TYR B 17 6.149 0.874 -19.521 1.00 0.00 N ATOM 1740 CA TYR B 17 6.182 1.311 -20.963 1.00 0.00 C ATOM 1741 C TYR B 17 7.596 1.709 -21.414 1.00 0.00 C ATOM 1742 O TYR B 17 8.014 1.400 -22.513 1.00 0.00 O ATOM 1743 CB TYR B 17 5.240 2.507 -21.144 1.00 0.00 C ATOM 1744 CG TYR B 17 3.822 2.004 -21.173 1.00 0.00 C ATOM 1745 CD1 TYR B 17 3.161 1.727 -19.978 1.00 0.00 C ATOM 1746 CD2 TYR B 17 3.185 1.791 -22.398 1.00 0.00 C ATOM 1747 CE1 TYR B 17 1.854 1.239 -20.001 1.00 0.00 C ATOM 1748 CE2 TYR B 17 1.879 1.298 -22.431 1.00 0.00 C ATOM 1749 CZ TYR B 17 1.208 1.021 -21.228 1.00 0.00 C ATOM 1750 OH TYR B 17 -0.082 0.533 -21.252 1.00 0.00 O ATOM 0 H TYR B 17 5.975 1.615 -18.842 1.00 0.00 H new ATOM 0 HA TYR B 17 5.863 0.468 -21.576 1.00 0.00 H new ATOM 0 HB2 TYR B 17 5.372 3.219 -20.329 1.00 0.00 H new ATOM 0 HB3 TYR B 17 5.473 3.035 -22.069 1.00 0.00 H new ATOM 0 HD1 TYR B 17 3.660 1.890 -19.034 1.00 0.00 H new ATOM 0 HD2 TYR B 17 3.703 2.008 -23.320 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.339 1.029 -19.075 1.00 0.00 H new ATOM 0 HE2 TYR B 17 1.387 1.130 -23.377 1.00 0.00 H new ATOM 0 HH TYR B 17 -0.396 0.393 -20.334 1.00 0.00 H new ATOM 1760 N SER B 18 8.315 2.417 -20.601 1.00 0.00 N ATOM 1761 CA SER B 18 9.681 2.870 -21.001 1.00 0.00 C ATOM 1762 C SER B 18 10.603 1.674 -21.265 1.00 0.00 C ATOM 1763 O SER B 18 11.362 1.667 -22.212 1.00 0.00 O ATOM 1764 CB SER B 18 10.265 3.734 -19.884 1.00 0.00 C ATOM 1765 OG SER B 18 11.519 4.260 -20.298 1.00 0.00 O ATOM 0 H SER B 18 8.020 2.707 -19.669 1.00 0.00 H new ATOM 0 HA SER B 18 9.604 3.447 -21.922 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.580 4.546 -19.642 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.389 3.141 -18.978 1.00 0.00 H new ATOM 0 HG SER B 18 12.238 3.827 -19.792 1.00 0.00 H new ATOM 1771 N GLY B 19 10.554 0.670 -20.435 1.00 0.00 N ATOM 1772 CA GLY B 19 11.448 -0.512 -20.637 1.00 0.00 C ATOM 1773 C GLY B 19 10.873 -1.433 -21.712 1.00 0.00 C ATOM 1774 O GLY B 19 11.498 -2.392 -22.120 1.00 0.00 O ATOM 0 H GLY B 19 9.936 0.613 -19.626 1.00 0.00 H new ATOM 0 HA2 GLY B 19 12.444 -0.178 -20.929 1.00 0.00 H new ATOM 0 HA3 GLY B 19 11.557 -1.059 -19.700 1.00 0.00 H new ATOM 1778 N ARG B 20 9.690 -1.154 -22.173 1.00 0.00 N ATOM 1779 CA ARG B 20 9.079 -2.012 -23.222 1.00 0.00 C ATOM 1780 C ARG B 20 9.970 -2.008 -24.464 1.00 0.00 C ATOM 1781 O ARG B 20 10.265 -3.043 -25.031 1.00 0.00 O ATOM 1782 CB ARG B 20 7.707 -1.448 -23.573 1.00 0.00 C ATOM 1783 CG ARG B 20 7.024 -2.337 -24.611 1.00 0.00 C ATOM 1784 CD ARG B 20 5.645 -1.761 -24.917 1.00 0.00 C ATOM 1785 NE ARG B 20 4.737 -2.034 -23.766 1.00 0.00 N ATOM 1786 CZ ARG B 20 3.612 -1.383 -23.649 1.00 0.00 C ATOM 1787 NH1 ARG B 20 3.310 -0.446 -24.500 1.00 0.00 N ATOM 1788 NH2 ARG B 20 2.795 -1.661 -22.671 1.00 0.00 N ATOM 0 H ARG B 20 9.117 -0.367 -21.868 1.00 0.00 H new ATOM 0 HA ARG B 20 8.978 -3.035 -22.859 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.091 -1.384 -22.676 1.00 0.00 H new ATOM 0 HB3 ARG B 20 7.810 -0.435 -23.962 1.00 0.00 H new ATOM 0 HG2 ARG B 20 7.623 -2.385 -25.520 1.00 0.00 H new ATOM 0 HG3 ARG B 20 6.933 -3.356 -24.235 1.00 0.00 H new ATOM 0 HD2 ARG B 20 5.716 -0.688 -25.094 1.00 0.00 H new ATOM 0 HD3 ARG B 20 5.244 -2.208 -25.827 1.00 0.00 H new ATOM 0 HE ARG B 20 4.996 -2.731 -23.068 1.00 0.00 H new ATOM 0 HH11 ARG B 20 3.953 -0.220 -25.259 1.00 0.00 H new ATOM 0 HH12 ARG B 20 2.431 0.062 -24.408 1.00 0.00 H new ATOM 0 HH21 ARG B 20 3.035 -2.388 -21.997 1.00 0.00 H new ATOM 0 HH22 ARG B 20 1.916 -1.152 -22.580 1.00 0.00 H new ATOM 1802 N GLU B 21 10.399 -0.843 -24.888 1.00 0.00 N ATOM 1803 CA GLU B 21 11.280 -0.739 -26.098 1.00 0.00 C ATOM 1804 C GLU B 21 12.648 -0.164 -25.706 1.00 0.00 C ATOM 1805 O GLU B 21 12.883 0.205 -24.572 1.00 0.00 O ATOM 1806 CB GLU B 21 10.622 0.162 -27.147 1.00 0.00 C ATOM 1807 CG GLU B 21 10.098 1.436 -26.491 1.00 0.00 C ATOM 1808 CD GLU B 21 9.677 2.425 -27.579 1.00 0.00 C ATOM 1809 OE1 GLU B 21 10.533 3.153 -28.055 1.00 0.00 O ATOM 1810 OE2 GLU B 21 8.505 2.439 -27.919 1.00 0.00 O ATOM 0 H GLU B 21 10.175 0.048 -24.445 1.00 0.00 H new ATOM 0 HA GLU B 21 11.420 -1.735 -26.518 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.343 0.414 -27.924 1.00 0.00 H new ATOM 0 HB3 GLU B 21 9.803 -0.370 -27.632 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.251 1.205 -25.845 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.869 1.878 -25.860 1.00 0.00 H new ATOM 1817 N GLY B 22 13.556 -0.117 -26.643 1.00 0.00 N ATOM 1818 CA GLY B 22 14.931 0.396 -26.362 1.00 0.00 C ATOM 1819 C GLY B 22 14.897 1.744 -25.628 1.00 0.00 C ATOM 1820 O GLY B 22 15.825 2.080 -24.918 1.00 0.00 O ATOM 0 H GLY B 22 13.402 -0.416 -27.606 1.00 0.00 H new ATOM 0 HA2 GLY B 22 15.475 -0.332 -25.760 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.477 0.506 -27.299 1.00 0.00 H new ATOM 1824 N ASP B 23 13.865 2.529 -25.790 1.00 0.00 N ATOM 1825 CA ASP B 23 13.829 3.845 -25.096 1.00 0.00 C ATOM 1826 C ASP B 23 13.706 3.621 -23.576 1.00 0.00 C ATOM 1827 O ASP B 23 12.894 4.229 -22.915 1.00 0.00 O ATOM 1828 CB ASP B 23 12.624 4.632 -25.615 1.00 0.00 C ATOM 1829 CG ASP B 23 12.864 5.047 -27.068 1.00 0.00 C ATOM 1830 OD1 ASP B 23 14.011 5.061 -27.479 1.00 0.00 O ATOM 1831 OD2 ASP B 23 11.894 5.343 -27.745 1.00 0.00 O ATOM 0 H ASP B 23 13.052 2.316 -26.369 1.00 0.00 H new ATOM 0 HA ASP B 23 14.744 4.404 -25.292 1.00 0.00 H new ATOM 0 HB2 ASP B 23 11.723 4.023 -25.545 1.00 0.00 H new ATOM 0 HB3 ASP B 23 12.461 5.515 -24.997 1.00 0.00 H new ATOM 1836 N LYS B 24 14.500 2.738 -23.026 1.00 0.00 N ATOM 1837 CA LYS B 24 14.429 2.455 -21.555 1.00 0.00 C ATOM 1838 C LYS B 24 14.789 3.703 -20.734 1.00 0.00 C ATOM 1839 O LYS B 24 14.186 3.973 -19.714 1.00 0.00 O ATOM 1840 CB LYS B 24 15.418 1.329 -21.217 1.00 0.00 C ATOM 1841 CG LYS B 24 15.235 0.875 -19.761 1.00 0.00 C ATOM 1842 CD LYS B 24 16.440 0.031 -19.329 1.00 0.00 C ATOM 1843 CE LYS B 24 16.635 -1.141 -20.296 1.00 0.00 C ATOM 1844 NZ LYS B 24 15.318 -1.766 -20.608 1.00 0.00 N ATOM 0 H LYS B 24 15.200 2.196 -23.533 1.00 0.00 H new ATOM 0 HA LYS B 24 13.410 2.160 -21.305 1.00 0.00 H new ATOM 0 HB2 LYS B 24 15.263 0.486 -21.890 1.00 0.00 H new ATOM 0 HB3 LYS B 24 16.440 1.675 -21.371 1.00 0.00 H new ATOM 0 HG2 LYS B 24 15.134 1.743 -19.109 1.00 0.00 H new ATOM 0 HG3 LYS B 24 14.318 0.294 -19.663 1.00 0.00 H new ATOM 0 HD2 LYS B 24 17.338 0.649 -19.308 1.00 0.00 H new ATOM 0 HD3 LYS B 24 16.287 -0.344 -18.317 1.00 0.00 H new ATOM 0 HE2 LYS B 24 17.108 -0.792 -21.214 1.00 0.00 H new ATOM 0 HE3 LYS B 24 17.303 -1.881 -19.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 15.447 -2.785 -20.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 14.668 -1.624 -19.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 14.918 -1.325 -21.461 1.00 0.00 H new ATOM 1858 N HIS B 25 15.783 4.445 -21.143 1.00 0.00 N ATOM 1859 CA HIS B 25 16.199 5.648 -20.354 1.00 0.00 C ATOM 1860 C HIS B 25 15.454 6.904 -20.822 1.00 0.00 C ATOM 1861 O HIS B 25 15.686 7.988 -20.324 1.00 0.00 O ATOM 1862 CB HIS B 25 17.704 5.853 -20.521 1.00 0.00 C ATOM 1863 CG HIS B 25 18.433 4.724 -19.844 1.00 0.00 C ATOM 1864 ND1 HIS B 25 18.889 3.614 -20.542 1.00 0.00 N ATOM 1865 CD2 HIS B 25 18.785 4.514 -18.533 1.00 0.00 C ATOM 1866 CE1 HIS B 25 19.486 2.794 -19.656 1.00 0.00 C ATOM 1867 NE2 HIS B 25 19.449 3.297 -18.421 1.00 0.00 N ATOM 0 H HIS B 25 16.327 4.273 -21.989 1.00 0.00 H new ATOM 0 HA HIS B 25 15.952 5.481 -19.305 1.00 0.00 H new ATOM 0 HB2 HIS B 25 17.964 5.887 -21.579 1.00 0.00 H new ATOM 0 HB3 HIS B 25 18.004 6.807 -20.088 1.00 0.00 H new ATOM 0 HD2 HIS B 25 18.578 5.189 -17.716 1.00 0.00 H new ATOM 0 HE1 HIS B 25 19.938 1.848 -19.913 1.00 0.00 H new ATOM 0 HE2 HIS B 25 19.828 2.877 -17.572 1.00 0.00 H new ATOM 1876 N LYS B 26 14.567 6.779 -21.771 1.00 0.00 N ATOM 1877 CA LYS B 26 13.820 7.982 -22.257 1.00 0.00 C ATOM 1878 C LYS B 26 12.413 7.581 -22.695 1.00 0.00 C ATOM 1879 O LYS B 26 12.132 6.435 -22.955 1.00 0.00 O ATOM 1880 CB LYS B 26 14.574 8.611 -23.433 1.00 0.00 C ATOM 1881 CG LYS B 26 14.729 7.593 -24.566 1.00 0.00 C ATOM 1882 CD LYS B 26 15.778 8.100 -25.566 1.00 0.00 C ATOM 1883 CE LYS B 26 15.625 7.367 -26.899 1.00 0.00 C ATOM 1884 NZ LYS B 26 16.609 7.907 -27.881 1.00 0.00 N ATOM 0 H LYS B 26 14.325 5.901 -22.231 1.00 0.00 H new ATOM 0 HA LYS B 26 13.743 8.709 -21.448 1.00 0.00 H new ATOM 0 HB2 LYS B 26 14.035 9.488 -23.793 1.00 0.00 H new ATOM 0 HB3 LYS B 26 15.555 8.953 -23.104 1.00 0.00 H new ATOM 0 HG2 LYS B 26 15.032 6.627 -24.163 1.00 0.00 H new ATOM 0 HG3 LYS B 26 13.774 7.443 -25.069 1.00 0.00 H new ATOM 0 HD2 LYS B 26 15.661 9.173 -25.716 1.00 0.00 H new ATOM 0 HD3 LYS B 26 16.780 7.941 -25.167 1.00 0.00 H new ATOM 0 HE2 LYS B 26 15.785 6.298 -26.758 1.00 0.00 H new ATOM 0 HE3 LYS B 26 14.611 7.490 -27.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 16.504 7.408 -28.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 16.436 8.923 -28.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 17.574 7.767 -27.518 1.00 0.00 H new ATOM 1898 N LEU B 27 11.525 8.533 -22.764 1.00 0.00 N ATOM 1899 CA LEU B 27 10.116 8.256 -23.181 1.00 0.00 C ATOM 1900 C LEU B 27 9.931 8.872 -24.579 1.00 0.00 C ATOM 1901 O LEU B 27 10.167 10.042 -24.764 1.00 0.00 O ATOM 1902 CB LEU B 27 9.182 8.935 -22.141 1.00 0.00 C ATOM 1903 CG LEU B 27 7.930 8.091 -21.815 1.00 0.00 C ATOM 1904 CD1 LEU B 27 6.979 8.070 -23.018 1.00 0.00 C ATOM 1905 CD2 LEU B 27 8.313 6.654 -21.384 1.00 0.00 C ATOM 0 H LEU B 27 11.717 9.511 -22.545 1.00 0.00 H new ATOM 0 HA LEU B 27 9.886 7.191 -23.222 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.741 9.117 -21.223 1.00 0.00 H new ATOM 0 HB3 LEU B 27 8.869 9.907 -22.521 1.00 0.00 H new ATOM 0 HG LEU B 27 7.416 8.555 -20.973 1.00 0.00 H new ATOM 0 HD11 LEU B 27 6.100 7.472 -22.777 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.671 9.088 -23.256 1.00 0.00 H new ATOM 0 HD13 LEU B 27 7.489 7.635 -23.877 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.409 6.088 -21.162 1.00 0.00 H new ATOM 0 HD22 LEU B 27 8.858 6.165 -22.191 1.00 0.00 H new ATOM 0 HD23 LEU B 27 8.942 6.696 -20.495 1.00 0.00 H new ATOM 1917 N LYS B 28 9.546 8.102 -25.574 1.00 0.00 N ATOM 1918 CA LYS B 28 9.386 8.677 -26.951 1.00 0.00 C ATOM 1919 C LYS B 28 7.901 8.900 -27.260 1.00 0.00 C ATOM 1920 O LYS B 28 7.057 8.120 -26.868 1.00 0.00 O ATOM 1921 CB LYS B 28 9.979 7.690 -27.969 1.00 0.00 C ATOM 1922 CG LYS B 28 9.856 8.252 -29.393 1.00 0.00 C ATOM 1923 CD LYS B 28 10.467 7.264 -30.391 1.00 0.00 C ATOM 1924 CE LYS B 28 10.436 7.875 -31.794 1.00 0.00 C ATOM 1925 NZ LYS B 28 11.100 9.209 -31.762 1.00 0.00 N ATOM 0 H LYS B 28 9.337 7.107 -25.492 1.00 0.00 H new ATOM 0 HA LYS B 28 9.904 9.634 -27.009 1.00 0.00 H new ATOM 0 HB2 LYS B 28 11.027 7.502 -27.735 1.00 0.00 H new ATOM 0 HB3 LYS B 28 9.460 6.734 -27.903 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.808 8.428 -29.636 1.00 0.00 H new ATOM 0 HG3 LYS B 28 10.365 9.214 -29.460 1.00 0.00 H new ATOM 0 HD2 LYS B 28 11.493 7.030 -30.107 1.00 0.00 H new ATOM 0 HD3 LYS B 28 9.911 6.326 -30.378 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.945 7.219 -32.501 1.00 0.00 H new ATOM 0 HE3 LYS B 28 9.406 7.976 -32.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 11.634 9.352 -32.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 10.380 9.953 -31.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.750 9.254 -30.951 1.00 0.00 H new ATOM 1939 N LYS B 29 7.590 9.960 -27.979 1.00 0.00 N ATOM 1940 CA LYS B 29 6.179 10.262 -28.366 1.00 0.00 C ATOM 1941 C LYS B 29 5.460 8.958 -28.721 1.00 0.00 C ATOM 1942 O LYS B 29 4.251 8.863 -28.654 1.00 0.00 O ATOM 1943 CB LYS B 29 6.215 11.185 -29.597 1.00 0.00 C ATOM 1944 CG LYS B 29 4.809 11.391 -30.175 1.00 0.00 C ATOM 1945 CD LYS B 29 4.882 12.357 -31.367 1.00 0.00 C ATOM 1946 CE LYS B 29 3.637 12.196 -32.242 1.00 0.00 C ATOM 1947 NZ LYS B 29 2.420 12.488 -31.438 1.00 0.00 N ATOM 0 H LYS B 29 8.273 10.638 -28.317 1.00 0.00 H new ATOM 0 HA LYS B 29 5.649 10.745 -27.545 1.00 0.00 H new ATOM 0 HB2 LYS B 29 6.642 12.149 -29.320 1.00 0.00 H new ATOM 0 HB3 LYS B 29 6.865 10.755 -30.359 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.391 10.436 -30.492 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.144 11.791 -29.409 1.00 0.00 H new ATOM 0 HD2 LYS B 29 4.957 13.384 -31.010 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.779 12.158 -31.954 1.00 0.00 H new ATOM 0 HE2 LYS B 29 3.691 12.871 -33.096 1.00 0.00 H new ATOM 0 HE3 LYS B 29 3.588 11.182 -32.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 1.773 13.084 -31.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 1.944 11.596 -31.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 2.691 12.988 -30.567 1.00 0.00 H new ATOM 1961 N SER B 30 6.202 7.953 -29.089 1.00 0.00 N ATOM 1962 CA SER B 30 5.564 6.647 -29.435 1.00 0.00 C ATOM 1963 C SER B 30 5.192 5.928 -28.142 1.00 0.00 C ATOM 1964 O SER B 30 4.077 5.478 -27.963 1.00 0.00 O ATOM 1965 CB SER B 30 6.534 5.784 -30.245 1.00 0.00 C ATOM 1966 OG SER B 30 6.726 6.370 -31.525 1.00 0.00 O ATOM 0 H SER B 30 7.219 7.975 -29.166 1.00 0.00 H new ATOM 0 HA SER B 30 4.672 6.823 -30.036 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.488 5.701 -29.723 1.00 0.00 H new ATOM 0 HB3 SER B 30 6.139 4.774 -30.350 1.00 0.00 H new ATOM 0 HG SER B 30 7.348 5.821 -32.046 1.00 0.00 H new ATOM 1972 N GLU B 31 6.116 5.843 -27.228 1.00 0.00 N ATOM 1973 CA GLU B 31 5.826 5.187 -25.927 1.00 0.00 C ATOM 1974 C GLU B 31 4.765 6.000 -25.198 1.00 0.00 C ATOM 1975 O GLU B 31 3.931 5.470 -24.502 1.00 0.00 O ATOM 1976 CB GLU B 31 7.088 5.148 -25.073 1.00 0.00 C ATOM 1977 CG GLU B 31 8.078 4.143 -25.641 1.00 0.00 C ATOM 1978 CD GLU B 31 9.305 4.102 -24.735 1.00 0.00 C ATOM 1979 OE1 GLU B 31 9.887 5.151 -24.513 1.00 0.00 O ATOM 1980 OE2 GLU B 31 9.642 3.025 -24.273 1.00 0.00 O ATOM 0 H GLU B 31 7.065 6.202 -27.328 1.00 0.00 H new ATOM 0 HA GLU B 31 5.477 4.169 -26.102 1.00 0.00 H new ATOM 0 HB2 GLU B 31 7.543 6.138 -25.039 1.00 0.00 H new ATOM 0 HB3 GLU B 31 6.834 4.879 -24.048 1.00 0.00 H new ATOM 0 HG2 GLU B 31 7.621 3.156 -25.703 1.00 0.00 H new ATOM 0 HG3 GLU B 31 8.365 4.426 -26.654 1.00 0.00 H new ATOM 1987 N LEU B 32 4.811 7.293 -25.348 1.00 0.00 N ATOM 1988 CA LEU B 32 3.826 8.171 -24.664 1.00 0.00 C ATOM 1989 C LEU B 32 2.419 7.805 -25.120 1.00 0.00 C ATOM 1990 O LEU B 32 1.512 7.709 -24.327 1.00 0.00 O ATOM 1991 CB LEU B 32 4.126 9.627 -25.036 1.00 0.00 C ATOM 1992 CG LEU B 32 3.080 10.572 -24.433 1.00 0.00 C ATOM 1993 CD1 LEU B 32 2.975 10.359 -22.916 1.00 0.00 C ATOM 1994 CD2 LEU B 32 3.505 12.014 -24.727 1.00 0.00 C ATOM 0 H LEU B 32 5.497 7.783 -25.922 1.00 0.00 H new ATOM 0 HA LEU B 32 3.896 8.043 -23.584 1.00 0.00 H new ATOM 0 HB2 LEU B 32 5.119 9.901 -24.678 1.00 0.00 H new ATOM 0 HB3 LEU B 32 4.137 9.735 -26.121 1.00 0.00 H new ATOM 0 HG LEU B 32 2.104 10.368 -24.874 1.00 0.00 H new ATOM 0 HD11 LEU B 32 2.228 11.038 -22.504 1.00 0.00 H new ATOM 0 HD12 LEU B 32 2.681 9.329 -22.713 1.00 0.00 H new ATOM 0 HD13 LEU B 32 3.941 10.559 -22.453 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.772 12.702 -24.305 1.00 0.00 H new ATOM 0 HD22 LEU B 32 4.481 12.204 -24.280 1.00 0.00 H new ATOM 0 HD23 LEU B 32 3.565 12.163 -25.805 1.00 0.00 H new ATOM 2006 N LYS B 33 2.226 7.611 -26.390 1.00 0.00 N ATOM 2007 CA LYS B 33 0.861 7.256 -26.882 1.00 0.00 C ATOM 2008 C LYS B 33 0.420 5.879 -26.368 1.00 0.00 C ATOM 2009 O LYS B 33 -0.736 5.673 -26.056 1.00 0.00 O ATOM 2010 CB LYS B 33 0.843 7.227 -28.411 1.00 0.00 C ATOM 2011 CG LYS B 33 -0.589 6.942 -28.883 1.00 0.00 C ATOM 2012 CD LYS B 33 -0.653 6.990 -30.404 1.00 0.00 C ATOM 2013 CE LYS B 33 -2.107 6.832 -30.854 1.00 0.00 C ATOM 2014 NZ LYS B 33 -2.627 5.506 -30.413 1.00 0.00 N ATOM 0 H LYS B 33 2.946 7.681 -27.109 1.00 0.00 H new ATOM 0 HA LYS B 33 0.174 8.015 -26.507 1.00 0.00 H new ATOM 0 HB2 LYS B 33 1.190 8.180 -28.811 1.00 0.00 H new ATOM 0 HB3 LYS B 33 1.522 6.460 -28.782 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -0.910 5.963 -28.528 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -1.274 7.676 -28.458 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -0.249 7.935 -30.767 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -0.040 6.196 -30.831 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -2.717 7.631 -30.433 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -2.174 6.917 -31.939 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -3.488 5.275 -30.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -1.907 4.776 -30.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -2.849 5.541 -29.398 1.00 0.00 H new ATOM 2028 N GLU B 34 1.304 4.923 -26.328 1.00 0.00 N ATOM 2029 CA GLU B 34 0.889 3.557 -25.894 1.00 0.00 C ATOM 2030 C GLU B 34 0.544 3.580 -24.408 1.00 0.00 C ATOM 2031 O GLU B 34 -0.313 2.864 -23.950 1.00 0.00 O ATOM 2032 CB GLU B 34 2.020 2.548 -26.190 1.00 0.00 C ATOM 2033 CG GLU B 34 1.428 1.167 -26.520 1.00 0.00 C ATOM 2034 CD GLU B 34 2.547 0.213 -26.945 1.00 0.00 C ATOM 2035 OE1 GLU B 34 3.640 0.690 -27.204 1.00 0.00 O ATOM 2036 OE2 GLU B 34 2.290 -0.977 -27.009 1.00 0.00 O ATOM 0 H GLU B 34 2.289 5.024 -26.574 1.00 0.00 H new ATOM 0 HA GLU B 34 0.004 3.244 -26.448 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.623 2.902 -27.026 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.683 2.471 -25.328 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.907 0.767 -25.650 1.00 0.00 H new ATOM 0 HG3 GLU B 34 0.692 1.258 -27.319 1.00 0.00 H new ATOM 2043 N LEU B 35 1.195 4.409 -23.660 1.00 0.00 N ATOM 2044 CA LEU B 35 0.883 4.509 -22.215 1.00 0.00 C ATOM 2045 C LEU B 35 -0.498 5.118 -22.059 1.00 0.00 C ATOM 2046 O LEU B 35 -1.347 4.612 -21.361 1.00 0.00 O ATOM 2047 CB LEU B 35 1.912 5.426 -21.553 1.00 0.00 C ATOM 2048 CG LEU B 35 1.596 5.597 -20.051 1.00 0.00 C ATOM 2049 CD1 LEU B 35 2.859 6.084 -19.331 1.00 0.00 C ATOM 2050 CD2 LEU B 35 0.436 6.613 -19.828 1.00 0.00 C ATOM 0 H LEU B 35 1.937 5.028 -23.987 1.00 0.00 H new ATOM 0 HA LEU B 35 0.911 3.523 -21.751 1.00 0.00 H new ATOM 0 HB2 LEU B 35 2.912 5.009 -21.675 1.00 0.00 H new ATOM 0 HB3 LEU B 35 1.910 6.399 -22.044 1.00 0.00 H new ATOM 0 HG LEU B 35 1.278 4.635 -19.648 1.00 0.00 H new ATOM 0 HD11 LEU B 35 2.647 6.208 -18.269 1.00 0.00 H new ATOM 0 HD12 LEU B 35 3.656 5.352 -19.459 1.00 0.00 H new ATOM 0 HD13 LEU B 35 3.173 7.039 -19.753 1.00 0.00 H new ATOM 0 HD21 LEU B 35 0.238 6.711 -18.761 1.00 0.00 H new ATOM 0 HD22 LEU B 35 0.719 7.584 -20.235 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -0.462 6.256 -20.332 1.00 0.00 H new ATOM 2062 N ILE B 36 -0.713 6.225 -22.691 1.00 0.00 N ATOM 2063 CA ILE B 36 -2.016 6.912 -22.557 1.00 0.00 C ATOM 2064 C ILE B 36 -3.134 6.101 -23.214 1.00 0.00 C ATOM 2065 O ILE B 36 -4.206 5.951 -22.662 1.00 0.00 O ATOM 2066 CB ILE B 36 -1.935 8.282 -23.229 1.00 0.00 C ATOM 2067 CG1 ILE B 36 -0.839 9.125 -22.569 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -3.278 8.989 -23.064 1.00 0.00 C ATOM 2069 CD1 ILE B 36 -0.628 10.410 -23.373 1.00 0.00 C ATOM 0 H ILE B 36 -0.038 6.688 -23.300 1.00 0.00 H new ATOM 0 HA ILE B 36 -2.240 7.021 -21.496 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.700 8.156 -24.286 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -1.120 9.367 -21.544 1.00 0.00 H new ATOM 0 HG13 ILE B 36 0.090 8.558 -22.520 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -3.234 9.969 -23.539 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -4.062 8.394 -23.531 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.498 9.110 -22.003 1.00 0.00 H new ATOM 0 HD11 ILE B 36 0.152 11.009 -22.903 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -0.328 10.158 -24.390 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -1.557 10.979 -23.399 1.00 0.00 H new ATOM 2081 N ASN B 37 -2.917 5.610 -24.401 1.00 0.00 N ATOM 2082 CA ASN B 37 -3.998 4.852 -25.093 1.00 0.00 C ATOM 2083 C ASN B 37 -4.267 3.496 -24.430 1.00 0.00 C ATOM 2084 O ASN B 37 -5.394 3.048 -24.342 1.00 0.00 O ATOM 2085 CB ASN B 37 -3.587 4.619 -26.549 1.00 0.00 C ATOM 2086 CG ASN B 37 -4.742 3.974 -27.318 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -4.835 2.765 -27.398 1.00 0.00 O ATOM 2088 ND2 ASN B 37 -5.631 4.734 -27.895 1.00 0.00 N ATOM 0 H ASN B 37 -2.044 5.699 -24.921 1.00 0.00 H new ATOM 0 HA ASN B 37 -4.912 5.442 -25.032 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -3.312 5.565 -27.015 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -2.708 3.976 -26.590 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -6.403 4.313 -28.412 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -5.554 5.749 -27.829 1.00 0.00 H new ATOM 2095 N ASN B 38 -3.236 2.820 -24.019 1.00 0.00 N ATOM 2096 CA ASN B 38 -3.400 1.452 -23.418 1.00 0.00 C ATOM 2097 C ASN B 38 -3.386 1.457 -21.878 1.00 0.00 C ATOM 2098 O ASN B 38 -4.079 0.675 -21.259 1.00 0.00 O ATOM 2099 CB ASN B 38 -2.262 0.562 -23.924 1.00 0.00 C ATOM 2100 CG ASN B 38 -2.578 -0.909 -23.637 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -1.760 -1.774 -23.885 1.00 0.00 O ATOM 2102 ND2 ASN B 38 -3.732 -1.233 -23.120 1.00 0.00 N ATOM 0 H ASN B 38 -2.273 3.152 -24.070 1.00 0.00 H new ATOM 0 HA ASN B 38 -4.376 1.076 -23.723 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -2.123 0.710 -24.995 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -1.327 0.843 -23.439 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -3.947 -2.211 -22.924 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -4.419 -0.508 -22.912 1.00 0.00 H new ATOM 2109 N GLU B 39 -2.596 2.287 -21.240 1.00 0.00 N ATOM 2110 CA GLU B 39 -2.565 2.250 -19.739 1.00 0.00 C ATOM 2111 C GLU B 39 -3.752 3.040 -19.183 1.00 0.00 C ATOM 2112 O GLU B 39 -4.066 2.959 -18.013 1.00 0.00 O ATOM 2113 CB GLU B 39 -1.245 2.853 -19.210 1.00 0.00 C ATOM 2114 CG GLU B 39 -0.991 2.379 -17.777 1.00 0.00 C ATOM 2115 CD GLU B 39 0.199 3.145 -17.197 1.00 0.00 C ATOM 2116 OE1 GLU B 39 1.254 3.113 -17.809 1.00 0.00 O ATOM 2117 OE2 GLU B 39 0.035 3.753 -16.152 1.00 0.00 O ATOM 0 H GLU B 39 -1.983 2.975 -21.679 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.630 1.212 -19.412 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -0.416 2.556 -19.853 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.296 3.941 -19.238 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -1.878 2.543 -17.165 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.790 1.308 -17.766 1.00 0.00 H new ATOM 2124 N LEU B 40 -4.417 3.797 -20.017 1.00 0.00 N ATOM 2125 CA LEU B 40 -5.592 4.599 -19.551 1.00 0.00 C ATOM 2126 C LEU B 40 -6.699 4.513 -20.611 1.00 0.00 C ATOM 2127 O LEU B 40 -7.162 5.512 -21.124 1.00 0.00 O ATOM 2128 CB LEU B 40 -5.177 6.074 -19.350 1.00 0.00 C ATOM 2129 CG LEU B 40 -3.738 6.184 -18.796 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -3.280 7.649 -18.874 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -3.673 5.709 -17.323 1.00 0.00 C ATOM 0 H LEU B 40 -4.196 3.896 -21.008 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.954 4.204 -18.602 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.245 6.605 -20.299 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.871 6.559 -18.663 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.085 5.548 -19.394 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.265 7.734 -18.485 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.300 7.982 -19.912 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.950 8.272 -18.281 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.650 5.797 -16.957 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.331 6.327 -16.712 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.992 4.669 -17.262 1.00 0.00 H new ATOM 2143 N SER B 41 -7.111 3.321 -20.950 1.00 0.00 N ATOM 2144 CA SER B 41 -8.174 3.154 -21.982 1.00 0.00 C ATOM 2145 C SER B 41 -9.465 3.849 -21.544 1.00 0.00 C ATOM 2146 O SER B 41 -10.152 4.450 -22.346 1.00 0.00 O ATOM 2147 CB SER B 41 -8.454 1.662 -22.175 1.00 0.00 C ATOM 2148 OG SER B 41 -7.341 1.055 -22.816 1.00 0.00 O ATOM 0 H SER B 41 -6.755 2.451 -20.554 1.00 0.00 H new ATOM 0 HA SER B 41 -7.831 3.601 -22.915 1.00 0.00 H new ATOM 0 HB2 SER B 41 -8.637 1.187 -21.211 1.00 0.00 H new ATOM 0 HB3 SER B 41 -9.354 1.524 -22.775 1.00 0.00 H new ATOM 0 HG SER B 41 -6.802 1.744 -23.258 1.00 0.00 H new ATOM 2154 N HIS B 42 -9.810 3.756 -20.281 1.00 0.00 N ATOM 2155 CA HIS B 42 -11.075 4.391 -19.787 1.00 0.00 C ATOM 2156 C HIS B 42 -10.789 5.324 -18.608 1.00 0.00 C ATOM 2157 O HIS B 42 -11.586 6.184 -18.288 1.00 0.00 O ATOM 2158 CB HIS B 42 -12.031 3.289 -19.332 1.00 0.00 C ATOM 2159 CG HIS B 42 -12.445 2.463 -20.517 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -11.789 1.292 -20.869 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -13.448 2.624 -21.440 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -12.400 0.797 -21.961 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -13.416 1.572 -22.347 1.00 0.00 N ATOM 0 H HIS B 42 -9.268 3.266 -19.569 1.00 0.00 H new ATOM 0 HA HIS B 42 -11.517 4.975 -20.594 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -11.547 2.658 -18.587 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -12.908 3.728 -18.857 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -14.153 3.442 -21.458 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -12.105 -0.113 -22.462 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -14.038 1.423 -23.141 1.00 0.00 H new ATOM 2172 N PHE B 43 -9.678 5.164 -17.946 1.00 0.00 N ATOM 2173 CA PHE B 43 -9.390 6.053 -16.785 1.00 0.00 C ATOM 2174 C PHE B 43 -9.172 7.487 -17.282 1.00 0.00 C ATOM 2175 O PHE B 43 -9.595 8.438 -16.657 1.00 0.00 O ATOM 2176 CB PHE B 43 -8.156 5.541 -16.023 1.00 0.00 C ATOM 2177 CG PHE B 43 -7.692 6.546 -14.974 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -8.613 7.268 -14.190 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -6.318 6.748 -14.783 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.154 8.179 -13.231 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -5.865 7.659 -13.822 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.782 8.376 -13.047 1.00 0.00 C ATOM 0 H PHE B 43 -8.964 4.466 -18.154 1.00 0.00 H new ATOM 0 HA PHE B 43 -10.237 6.046 -16.099 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.392 4.593 -15.541 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.346 5.348 -16.727 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -9.674 7.119 -14.329 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.606 6.198 -15.380 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -8.862 8.731 -12.631 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.805 7.809 -13.679 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.431 9.081 -12.308 1.00 0.00 H new ATOM 2192 N LEU B 44 -8.519 7.645 -18.409 1.00 0.00 N ATOM 2193 CA LEU B 44 -8.267 9.012 -18.976 1.00 0.00 C ATOM 2194 C LEU B 44 -8.779 9.036 -20.413 1.00 0.00 C ATOM 2195 O LEU B 44 -8.922 8.009 -21.045 1.00 0.00 O ATOM 2196 CB LEU B 44 -6.760 9.287 -18.972 1.00 0.00 C ATOM 2197 CG LEU B 44 -6.453 10.722 -19.436 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -7.082 11.752 -18.479 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -4.931 10.905 -19.462 1.00 0.00 C ATOM 0 H LEU B 44 -8.145 6.878 -18.967 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.776 9.770 -18.381 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.363 9.134 -17.969 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.256 8.575 -19.626 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.875 10.880 -20.429 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.852 12.759 -18.826 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.163 11.614 -18.455 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.677 11.613 -17.477 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.692 11.917 -19.789 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -4.528 10.741 -18.463 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.490 10.187 -20.153 1.00 0.00 H new ATOM 2211 N GLU B 45 -9.060 10.191 -20.939 1.00 0.00 N ATOM 2212 CA GLU B 45 -9.563 10.250 -22.334 1.00 0.00 C ATOM 2213 C GLU B 45 -8.597 9.492 -23.248 1.00 0.00 C ATOM 2214 O GLU B 45 -7.494 9.929 -23.511 1.00 0.00 O ATOM 2215 CB GLU B 45 -9.648 11.711 -22.783 1.00 0.00 C ATOM 2216 CG GLU B 45 -10.306 11.794 -24.162 1.00 0.00 C ATOM 2217 CD GLU B 45 -11.789 11.437 -24.044 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -12.303 11.484 -22.938 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -12.387 11.127 -25.061 1.00 0.00 O ATOM 0 H GLU B 45 -8.964 11.090 -20.468 1.00 0.00 H new ATOM 0 HA GLU B 45 -10.553 9.796 -22.388 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -10.223 12.290 -22.060 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.650 12.148 -22.820 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -10.195 12.799 -24.570 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -9.811 11.113 -24.854 1.00 0.00 H new ATOM 2226 N GLU B 46 -9.017 8.360 -23.736 1.00 0.00 N ATOM 2227 CA GLU B 46 -8.151 7.554 -24.642 1.00 0.00 C ATOM 2228 C GLU B 46 -7.813 8.391 -25.884 1.00 0.00 C ATOM 2229 O GLU B 46 -8.637 9.130 -26.385 1.00 0.00 O ATOM 2230 CB GLU B 46 -8.907 6.279 -25.045 1.00 0.00 C ATOM 2231 CG GLU B 46 -8.007 5.389 -25.905 1.00 0.00 C ATOM 2232 CD GLU B 46 -8.743 4.094 -26.264 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -9.864 3.926 -25.813 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -8.172 3.293 -26.988 1.00 0.00 O ATOM 0 H GLU B 46 -9.933 7.954 -23.544 1.00 0.00 H new ATOM 0 HA GLU B 46 -7.225 7.276 -24.139 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -9.224 5.737 -24.154 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -9.810 6.540 -25.598 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -7.719 5.918 -26.814 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -7.088 5.158 -25.366 1.00 0.00 H new ATOM 2241 N ILE B 47 -6.595 8.301 -26.366 1.00 0.00 N ATOM 2242 CA ILE B 47 -6.182 9.109 -27.562 1.00 0.00 C ATOM 2243 C ILE B 47 -6.177 8.218 -28.806 1.00 0.00 C ATOM 2244 O ILE B 47 -5.644 7.127 -28.792 1.00 0.00 O ATOM 2245 CB ILE B 47 -4.782 9.669 -27.321 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -4.818 10.527 -26.046 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -4.358 10.514 -28.532 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -3.439 11.112 -25.756 1.00 0.00 C ATOM 0 H ILE B 47 -5.866 7.701 -25.982 1.00 0.00 H new ATOM 0 HA ILE B 47 -6.884 9.929 -27.716 1.00 0.00 H new ATOM 0 HB ILE B 47 -4.060 8.863 -27.194 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -5.544 11.332 -26.163 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -5.147 9.921 -25.202 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -3.359 10.916 -28.364 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -4.353 9.891 -29.426 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -5.061 11.336 -28.666 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -3.483 11.716 -24.850 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -2.722 10.303 -25.618 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -3.125 11.736 -26.593 1.00 0.00 H new ATOM 2260 N LYS B 48 -6.794 8.666 -29.876 1.00 0.00 N ATOM 2261 CA LYS B 48 -6.861 7.838 -31.126 1.00 0.00 C ATOM 2262 C LYS B 48 -5.963 8.437 -32.218 1.00 0.00 C ATOM 2263 O LYS B 48 -5.597 7.759 -33.158 1.00 0.00 O ATOM 2264 CB LYS B 48 -8.318 7.810 -31.634 1.00 0.00 C ATOM 2265 CG LYS B 48 -9.304 7.818 -30.454 1.00 0.00 C ATOM 2266 CD LYS B 48 -9.134 6.556 -29.607 1.00 0.00 C ATOM 2267 CE LYS B 48 -9.994 6.679 -28.353 1.00 0.00 C ATOM 2268 NZ LYS B 48 -11.410 6.934 -28.737 1.00 0.00 N ATOM 0 H LYS B 48 -7.256 9.573 -29.938 1.00 0.00 H new ATOM 0 HA LYS B 48 -6.517 6.829 -30.899 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -8.502 8.673 -32.274 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.479 6.921 -32.243 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.137 8.702 -29.838 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -10.326 7.878 -30.827 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -9.427 5.676 -30.180 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -8.087 6.424 -29.334 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -9.926 5.765 -27.763 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -9.625 7.491 -27.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -12.043 6.418 -28.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.609 7.953 -28.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -11.569 6.610 -29.712 1.00 0.00 H new ATOM 2282 N GLU B 49 -5.626 9.703 -32.122 1.00 0.00 N ATOM 2283 CA GLU B 49 -4.775 10.347 -33.177 1.00 0.00 C ATOM 2284 C GLU B 49 -3.390 10.685 -32.625 1.00 0.00 C ATOM 2285 O GLU B 49 -3.233 11.081 -31.487 1.00 0.00 O ATOM 2286 CB GLU B 49 -5.449 11.635 -33.654 1.00 0.00 C ATOM 2287 CG GLU B 49 -6.722 11.300 -34.438 1.00 0.00 C ATOM 2288 CD GLU B 49 -7.837 10.891 -33.471 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -7.653 11.059 -32.277 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -8.857 10.416 -33.943 1.00 0.00 O ATOM 0 H GLU B 49 -5.904 10.319 -31.358 1.00 0.00 H new ATOM 0 HA GLU B 49 -4.663 9.648 -34.006 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -5.694 12.265 -32.799 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.763 12.203 -34.283 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -7.036 12.163 -35.025 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -6.524 10.491 -35.142 1.00 0.00 H new ATOM 2297 N GLN B 50 -2.387 10.535 -33.446 1.00 0.00 N ATOM 2298 CA GLN B 50 -0.994 10.845 -33.020 1.00 0.00 C ATOM 2299 C GLN B 50 -0.841 12.354 -32.849 1.00 0.00 C ATOM 2300 O GLN B 50 0.078 12.819 -32.214 1.00 0.00 O ATOM 2301 CB GLN B 50 -0.019 10.385 -34.112 1.00 0.00 C ATOM 2302 CG GLN B 50 -0.149 8.878 -34.344 1.00 0.00 C ATOM 2303 CD GLN B 50 0.512 8.097 -33.204 1.00 0.00 C ATOM 2304 OE1 GLN B 50 0.286 6.912 -33.064 1.00 0.00 O ATOM 2305 NE2 GLN B 50 1.311 8.707 -32.369 1.00 0.00 N ATOM 0 H GLN B 50 -2.476 10.206 -34.407 1.00 0.00 H new ATOM 0 HA GLN B 50 -0.782 10.335 -32.080 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -0.223 10.921 -35.039 1.00 0.00 H new ATOM 0 HB3 GLN B 50 1.003 10.628 -33.821 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -1.202 8.605 -34.416 1.00 0.00 H new ATOM 0 HG3 GLN B 50 0.315 8.609 -35.293 1.00 0.00 H new ATOM 0 HE21 GLN B 50 1.504 9.702 -32.482 1.00 0.00 H new ATOM 0 HE22 GLN B 50 1.742 8.188 -31.604 1.00 0.00 H new ATOM 2314 N GLU B 51 -1.708 13.123 -33.447 1.00 0.00 N ATOM 2315 CA GLU B 51 -1.584 14.607 -33.347 1.00 0.00 C ATOM 2316 C GLU B 51 -1.789 15.079 -31.909 1.00 0.00 C ATOM 2317 O GLU B 51 -1.135 15.992 -31.453 1.00 0.00 O ATOM 2318 CB GLU B 51 -2.616 15.272 -34.274 1.00 0.00 C ATOM 2319 CG GLU B 51 -4.015 15.186 -33.650 1.00 0.00 C ATOM 2320 CD GLU B 51 -5.070 15.557 -34.695 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -4.750 16.328 -35.584 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -6.182 15.065 -34.588 1.00 0.00 O ATOM 0 H GLU B 51 -2.497 12.790 -34.001 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.578 14.893 -33.655 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -2.347 16.315 -34.442 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.612 14.781 -35.247 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -4.196 14.178 -33.278 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -4.084 15.858 -32.795 1.00 0.00 H new ATOM 2329 N VAL B 52 -2.696 14.484 -31.197 1.00 0.00 N ATOM 2330 CA VAL B 52 -2.936 14.917 -29.796 1.00 0.00 C ATOM 2331 C VAL B 52 -1.693 14.647 -28.977 1.00 0.00 C ATOM 2332 O VAL B 52 -1.324 15.410 -28.113 1.00 0.00 O ATOM 2333 CB VAL B 52 -4.110 14.138 -29.215 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -4.280 14.483 -27.732 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -5.386 14.481 -29.987 1.00 0.00 C ATOM 0 H VAL B 52 -3.283 13.716 -31.523 1.00 0.00 H new ATOM 0 HA VAL B 52 -3.167 15.982 -29.774 1.00 0.00 H new ATOM 0 HB VAL B 52 -3.916 13.069 -29.307 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -5.121 13.923 -27.322 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -3.371 14.221 -27.191 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -4.469 15.551 -27.626 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -6.224 13.923 -29.570 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -5.585 15.550 -29.905 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -5.259 14.215 -31.036 1.00 0.00 H new ATOM 2345 N VAL B 53 -1.062 13.554 -29.236 1.00 0.00 N ATOM 2346 CA VAL B 53 0.155 13.197 -28.481 1.00 0.00 C ATOM 2347 C VAL B 53 1.282 14.151 -28.849 1.00 0.00 C ATOM 2348 O VAL B 53 2.097 14.489 -28.031 1.00 0.00 O ATOM 2349 CB VAL B 53 0.529 11.765 -28.836 1.00 0.00 C ATOM 2350 CG1 VAL B 53 1.739 11.299 -28.014 1.00 0.00 C ATOM 2351 CG2 VAL B 53 -0.680 10.871 -28.554 1.00 0.00 C ATOM 0 H VAL B 53 -1.340 12.880 -29.950 1.00 0.00 H new ATOM 0 HA VAL B 53 -0.021 13.275 -27.408 1.00 0.00 H new ATOM 0 HB VAL B 53 0.803 11.706 -29.889 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.989 10.273 -28.284 1.00 0.00 H new ATOM 0 HG12 VAL B 53 2.591 11.947 -28.221 1.00 0.00 H new ATOM 0 HG13 VAL B 53 1.497 11.346 -26.952 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -0.434 9.838 -28.802 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -0.944 10.938 -27.499 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -1.524 11.199 -29.161 1.00 0.00 H new ATOM 2361 N ASP B 54 1.343 14.574 -30.073 1.00 0.00 N ATOM 2362 CA ASP B 54 2.430 15.502 -30.487 1.00 0.00 C ATOM 2363 C ASP B 54 2.256 16.836 -29.771 1.00 0.00 C ATOM 2364 O ASP B 54 3.207 17.469 -29.364 1.00 0.00 O ATOM 2365 CB ASP B 54 2.371 15.721 -32.001 1.00 0.00 C ATOM 2366 CG ASP B 54 3.560 16.578 -32.438 1.00 0.00 C ATOM 2367 OD1 ASP B 54 4.039 17.351 -31.625 1.00 0.00 O ATOM 2368 OD2 ASP B 54 3.969 16.449 -33.580 1.00 0.00 O ATOM 0 H ASP B 54 0.686 14.318 -30.810 1.00 0.00 H new ATOM 0 HA ASP B 54 3.396 15.070 -30.224 1.00 0.00 H new ATOM 0 HB2 ASP B 54 2.390 14.762 -32.519 1.00 0.00 H new ATOM 0 HB3 ASP B 54 1.436 16.211 -32.272 1.00 0.00 H new ATOM 2373 N LYS B 55 1.039 17.256 -29.624 1.00 0.00 N ATOM 2374 CA LYS B 55 0.747 18.546 -28.944 1.00 0.00 C ATOM 2375 C LYS B 55 1.113 18.409 -27.478 1.00 0.00 C ATOM 2376 O LYS B 55 1.678 19.299 -26.868 1.00 0.00 O ATOM 2377 CB LYS B 55 -0.742 18.868 -29.092 1.00 0.00 C ATOM 2378 CG LYS B 55 -1.014 20.286 -28.587 1.00 0.00 C ATOM 2379 CD LYS B 55 -2.485 20.636 -28.817 1.00 0.00 C ATOM 2380 CE LYS B 55 -2.730 22.090 -28.405 1.00 0.00 C ATOM 2381 NZ LYS B 55 -4.073 22.525 -28.882 1.00 0.00 N ATOM 0 H LYS B 55 0.215 16.752 -29.952 1.00 0.00 H new ATOM 0 HA LYS B 55 1.326 19.355 -29.390 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -1.041 18.780 -30.136 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -1.337 18.150 -28.528 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -0.774 20.358 -27.526 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -0.374 20.998 -29.108 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -2.744 20.495 -29.866 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -3.124 19.969 -28.238 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -2.669 22.187 -27.321 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -1.957 22.733 -28.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -3.997 23.462 -29.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -4.433 21.840 -29.577 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -4.728 22.577 -28.076 1.00 0.00 H new ATOM 2395 N VAL B 56 0.815 17.281 -26.915 1.00 0.00 N ATOM 2396 CA VAL B 56 1.164 17.052 -25.498 1.00 0.00 C ATOM 2397 C VAL B 56 2.681 17.065 -25.401 1.00 0.00 C ATOM 2398 O VAL B 56 3.252 17.487 -24.419 1.00 0.00 O ATOM 2399 CB VAL B 56 0.603 15.695 -25.040 1.00 0.00 C ATOM 2400 CG1 VAL B 56 1.295 15.232 -23.750 1.00 0.00 C ATOM 2401 CG2 VAL B 56 -0.899 15.838 -24.779 1.00 0.00 C ATOM 0 H VAL B 56 0.343 16.505 -27.378 1.00 0.00 H new ATOM 0 HA VAL B 56 0.738 17.823 -24.856 1.00 0.00 H new ATOM 0 HB VAL B 56 0.784 14.957 -25.821 1.00 0.00 H new ATOM 0 HG11 VAL B 56 0.885 14.270 -23.442 1.00 0.00 H new ATOM 0 HG12 VAL B 56 2.365 15.129 -23.928 1.00 0.00 H new ATOM 0 HG13 VAL B 56 1.127 15.967 -22.963 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -1.305 14.880 -24.454 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -1.064 16.584 -24.002 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -1.399 16.152 -25.695 1.00 0.00 H new ATOM 2411 N MET B 57 3.338 16.601 -26.424 1.00 0.00 N ATOM 2412 CA MET B 57 4.822 16.576 -26.392 1.00 0.00 C ATOM 2413 C MET B 57 5.366 17.995 -26.457 1.00 0.00 C ATOM 2414 O MET B 57 6.382 18.292 -25.887 1.00 0.00 O ATOM 2415 CB MET B 57 5.365 15.734 -27.544 1.00 0.00 C ATOM 2416 CG MET B 57 5.104 14.255 -27.241 1.00 0.00 C ATOM 2417 SD MET B 57 6.187 13.705 -25.901 1.00 0.00 S ATOM 2418 CE MET B 57 7.628 13.311 -26.916 1.00 0.00 C ATOM 0 H MET B 57 2.913 16.239 -27.278 1.00 0.00 H new ATOM 0 HA MET B 57 5.149 16.121 -25.457 1.00 0.00 H new ATOM 0 HB2 MET B 57 4.883 16.018 -28.479 1.00 0.00 H new ATOM 0 HB3 MET B 57 6.433 15.911 -27.670 1.00 0.00 H new ATOM 0 HG2 MET B 57 4.061 14.110 -26.961 1.00 0.00 H new ATOM 0 HG3 MET B 57 5.280 13.655 -28.133 1.00 0.00 H new ATOM 0 HE1 MET B 57 7.813 12.237 -26.884 1.00 0.00 H new ATOM 0 HE2 MET B 57 7.442 13.617 -27.946 1.00 0.00 H new ATOM 0 HE3 MET B 57 8.500 13.841 -26.532 1.00 0.00 H new ATOM 2428 N GLU B 58 4.698 18.899 -27.105 1.00 0.00 N ATOM 2429 CA GLU B 58 5.228 20.289 -27.126 1.00 0.00 C ATOM 2430 C GLU B 58 5.391 20.711 -25.676 1.00 0.00 C ATOM 2431 O GLU B 58 6.306 21.416 -25.299 1.00 0.00 O ATOM 2432 CB GLU B 58 4.221 21.224 -27.792 1.00 0.00 C ATOM 2433 CG GLU B 58 3.992 20.785 -29.230 1.00 0.00 C ATOM 2434 CD GLU B 58 5.263 21.022 -30.047 1.00 0.00 C ATOM 2435 OE1 GLU B 58 6.114 21.761 -29.581 1.00 0.00 O ATOM 2436 OE2 GLU B 58 5.365 20.459 -31.125 1.00 0.00 O ATOM 0 H GLU B 58 3.826 18.745 -27.612 1.00 0.00 H new ATOM 0 HA GLU B 58 6.167 20.335 -27.677 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.279 21.212 -27.243 1.00 0.00 H new ATOM 0 HB3 GLU B 58 4.590 22.249 -27.768 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.720 19.730 -29.260 1.00 0.00 H new ATOM 0 HG3 GLU B 58 3.160 21.341 -29.663 1.00 0.00 H new ATOM 2443 N THR B 59 4.478 20.266 -24.871 1.00 0.00 N ATOM 2444 CA THR B 59 4.499 20.596 -23.431 1.00 0.00 C ATOM 2445 C THR B 59 5.500 19.708 -22.668 1.00 0.00 C ATOM 2446 O THR B 59 6.263 20.187 -21.852 1.00 0.00 O ATOM 2447 CB THR B 59 3.087 20.367 -22.897 1.00 0.00 C ATOM 2448 OG1 THR B 59 2.156 20.998 -23.765 1.00 0.00 O ATOM 2449 CG2 THR B 59 2.948 20.955 -21.502 1.00 0.00 C ATOM 0 H THR B 59 3.700 19.673 -25.159 1.00 0.00 H new ATOM 0 HA THR B 59 4.814 21.630 -23.290 1.00 0.00 H new ATOM 0 HB THR B 59 2.893 19.296 -22.850 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.247 20.854 -23.430 1.00 0.00 H new ATOM 0 HG21 THR B 59 1.936 20.784 -21.134 1.00 0.00 H new ATOM 0 HG22 THR B 59 3.663 20.477 -20.833 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.145 22.026 -21.537 1.00 0.00 H new ATOM 2457 N LEU B 60 5.490 18.418 -22.903 1.00 0.00 N ATOM 2458 CA LEU B 60 6.421 17.508 -22.162 1.00 0.00 C ATOM 2459 C LEU B 60 7.760 17.401 -22.882 1.00 0.00 C ATOM 2460 O LEU B 60 8.738 16.950 -22.320 1.00 0.00 O ATOM 2461 CB LEU B 60 5.800 16.116 -22.078 1.00 0.00 C ATOM 2462 CG LEU B 60 4.364 16.225 -21.565 1.00 0.00 C ATOM 2463 CD1 LEU B 60 3.799 14.820 -21.353 1.00 0.00 C ATOM 2464 CD2 LEU B 60 4.336 17.012 -20.246 1.00 0.00 C ATOM 0 H LEU B 60 4.878 17.956 -23.575 1.00 0.00 H new ATOM 0 HA LEU B 60 6.585 17.917 -21.165 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.811 15.642 -23.059 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.388 15.484 -21.412 1.00 0.00 H new ATOM 0 HG LEU B 60 3.754 16.754 -22.297 1.00 0.00 H new ATOM 0 HD11 LEU B 60 2.775 14.891 -20.987 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.810 14.277 -22.298 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.409 14.289 -20.623 1.00 0.00 H new ATOM 0 HD21 LEU B 60 3.309 17.085 -19.888 1.00 0.00 H new ATOM 0 HD22 LEU B 60 4.944 16.497 -19.502 1.00 0.00 H new ATOM 0 HD23 LEU B 60 4.735 18.013 -20.411 1.00 0.00 H new ATOM 2476 N ASP B 61 7.828 17.817 -24.110 1.00 0.00 N ATOM 2477 CA ASP B 61 9.125 17.740 -24.834 1.00 0.00 C ATOM 2478 C ASP B 61 9.953 18.931 -24.394 1.00 0.00 C ATOM 2479 O ASP B 61 10.354 19.761 -25.184 1.00 0.00 O ATOM 2480 CB ASP B 61 8.904 17.798 -26.346 1.00 0.00 C ATOM 2481 CG ASP B 61 10.223 17.518 -27.061 1.00 0.00 C ATOM 2482 OD1 ASP B 61 11.182 17.181 -26.385 1.00 0.00 O ATOM 2483 OD2 ASP B 61 10.250 17.635 -28.275 1.00 0.00 O ATOM 0 H ASP B 61 7.049 18.205 -24.643 1.00 0.00 H new ATOM 0 HA ASP B 61 9.630 16.801 -24.607 1.00 0.00 H new ATOM 0 HB2 ASP B 61 8.154 17.066 -26.644 1.00 0.00 H new ATOM 0 HB3 ASP B 61 8.523 18.779 -26.632 1.00 0.00 H new ATOM 2488 N GLU B 62 10.193 19.022 -23.123 1.00 0.00 N ATOM 2489 CA GLU B 62 10.974 20.163 -22.597 1.00 0.00 C ATOM 2490 C GLU B 62 12.337 20.172 -23.283 1.00 0.00 C ATOM 2491 O GLU B 62 12.862 21.210 -23.635 1.00 0.00 O ATOM 2492 CB GLU B 62 11.150 19.989 -21.093 1.00 0.00 C ATOM 2493 CG GLU B 62 9.780 19.758 -20.446 1.00 0.00 C ATOM 2494 CD GLU B 62 9.932 19.742 -18.923 1.00 0.00 C ATOM 2495 OE1 GLU B 62 11.052 19.868 -18.458 1.00 0.00 O ATOM 2496 OE2 GLU B 62 8.926 19.596 -18.248 1.00 0.00 O ATOM 0 H GLU B 62 9.880 18.351 -22.422 1.00 0.00 H new ATOM 0 HA GLU B 62 10.460 21.104 -22.791 1.00 0.00 H new ATOM 0 HB2 GLU B 62 11.809 19.145 -20.888 1.00 0.00 H new ATOM 0 HB3 GLU B 62 11.622 20.874 -20.666 1.00 0.00 H new ATOM 0 HG2 GLU B 62 9.087 20.545 -20.745 1.00 0.00 H new ATOM 0 HG3 GLU B 62 9.358 18.814 -20.790 1.00 0.00 H new ATOM 2503 N ASP B 63 12.905 19.019 -23.491 1.00 0.00 N ATOM 2504 CA ASP B 63 14.224 18.955 -24.174 1.00 0.00 C ATOM 2505 C ASP B 63 14.027 19.323 -25.648 1.00 0.00 C ATOM 2506 O ASP B 63 14.967 19.627 -26.357 1.00 0.00 O ATOM 2507 CB ASP B 63 14.784 17.535 -24.071 1.00 0.00 C ATOM 2508 CG ASP B 63 14.974 17.166 -22.599 1.00 0.00 C ATOM 2509 OD1 ASP B 63 15.595 17.940 -21.890 1.00 0.00 O ATOM 2510 OD2 ASP B 63 14.487 16.119 -22.203 1.00 0.00 O ATOM 0 H ASP B 63 12.513 18.118 -23.217 1.00 0.00 H new ATOM 0 HA ASP B 63 14.923 19.648 -23.706 1.00 0.00 H new ATOM 0 HB2 ASP B 63 14.104 16.829 -24.549 1.00 0.00 H new ATOM 0 HB3 ASP B 63 15.735 17.469 -24.599 1.00 0.00 H new ATOM 2515 N GLY B 64 12.802 19.304 -26.109 1.00 0.00 N ATOM 2516 CA GLY B 64 12.525 19.662 -27.535 1.00 0.00 C ATOM 2517 C GLY B 64 13.100 18.591 -28.468 1.00 0.00 C ATOM 2518 O GLY B 64 13.463 18.874 -29.593 1.00 0.00 O ATOM 0 H GLY B 64 11.980 19.056 -25.559 1.00 0.00 H new ATOM 0 HA2 GLY B 64 11.450 19.754 -27.693 1.00 0.00 H new ATOM 0 HA3 GLY B 64 12.965 20.632 -27.767 1.00 0.00 H new ATOM 2522 N ASP B 65 13.193 17.364 -28.012 1.00 0.00 N ATOM 2523 CA ASP B 65 13.758 16.271 -28.868 1.00 0.00 C ATOM 2524 C ASP B 65 12.640 15.323 -29.314 1.00 0.00 C ATOM 2525 O ASP B 65 12.892 14.264 -29.854 1.00 0.00 O ATOM 2526 CB ASP B 65 14.805 15.505 -28.055 1.00 0.00 C ATOM 2527 CG ASP B 65 14.147 14.880 -26.827 1.00 0.00 C ATOM 2528 OD1 ASP B 65 13.002 15.206 -26.563 1.00 0.00 O ATOM 2529 OD2 ASP B 65 14.806 14.096 -26.164 1.00 0.00 O ATOM 0 H ASP B 65 12.901 17.071 -27.080 1.00 0.00 H new ATOM 0 HA ASP B 65 14.221 16.698 -29.757 1.00 0.00 H new ATOM 0 HB2 ASP B 65 15.260 14.729 -28.670 1.00 0.00 H new ATOM 0 HB3 ASP B 65 15.605 16.179 -27.748 1.00 0.00 H new ATOM 2534 N GLY B 66 11.409 15.688 -29.087 1.00 0.00 N ATOM 2535 CA GLY B 66 10.283 14.798 -29.494 1.00 0.00 C ATOM 2536 C GLY B 66 10.211 13.628 -28.517 1.00 0.00 C ATOM 2537 O GLY B 66 9.455 12.693 -28.689 1.00 0.00 O ATOM 0 H GLY B 66 11.133 16.562 -28.638 1.00 0.00 H new ATOM 0 HA2 GLY B 66 9.344 15.351 -29.492 1.00 0.00 H new ATOM 0 HA3 GLY B 66 10.436 14.434 -30.510 1.00 0.00 H new ATOM 2541 N GLU B 67 11.005 13.690 -27.487 1.00 0.00 N ATOM 2542 CA GLU B 67 11.031 12.617 -26.456 1.00 0.00 C ATOM 2543 C GLU B 67 11.013 13.281 -25.081 1.00 0.00 C ATOM 2544 O GLU B 67 11.765 14.200 -24.823 1.00 0.00 O ATOM 2545 CB GLU B 67 12.329 11.826 -26.590 1.00 0.00 C ATOM 2546 CG GLU B 67 12.490 11.333 -28.025 1.00 0.00 C ATOM 2547 CD GLU B 67 13.793 10.545 -28.139 1.00 0.00 C ATOM 2548 OE1 GLU B 67 14.556 10.571 -27.191 1.00 0.00 O ATOM 2549 OE2 GLU B 67 14.003 9.924 -29.167 1.00 0.00 O ATOM 0 H GLU B 67 11.653 14.458 -27.312 1.00 0.00 H new ATOM 0 HA GLU B 67 10.176 11.953 -26.581 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.177 12.453 -26.314 1.00 0.00 H new ATOM 0 HB3 GLU B 67 12.322 10.979 -25.904 1.00 0.00 H new ATOM 0 HG2 GLU B 67 11.645 10.704 -28.304 1.00 0.00 H new ATOM 0 HG3 GLU B 67 12.500 12.178 -28.714 1.00 0.00 H new ATOM 2556 N CYS B 68 10.181 12.818 -24.191 1.00 0.00 N ATOM 2557 CA CYS B 68 10.129 13.410 -22.820 1.00 0.00 C ATOM 2558 C CYS B 68 10.873 12.468 -21.870 1.00 0.00 C ATOM 2559 O CYS B 68 10.573 11.295 -21.780 1.00 0.00 O ATOM 2560 CB CYS B 68 8.662 13.577 -22.388 1.00 0.00 C ATOM 2561 SG CYS B 68 7.669 12.240 -23.092 1.00 0.00 S ATOM 0 H CYS B 68 9.530 12.050 -24.353 1.00 0.00 H new ATOM 0 HA CYS B 68 10.600 14.393 -22.802 1.00 0.00 H new ATOM 0 HB2 CYS B 68 8.589 13.565 -21.301 1.00 0.00 H new ATOM 0 HB3 CYS B 68 8.281 14.542 -22.722 1.00 0.00 H new ATOM 0 HG CYS B 68 7.041 12.674 -24.145 1.00 0.00 H new ATOM 2567 N ASP B 69 11.851 12.968 -21.171 1.00 0.00 N ATOM 2568 CA ASP B 69 12.620 12.098 -20.239 1.00 0.00 C ATOM 2569 C ASP B 69 11.665 11.569 -19.173 1.00 0.00 C ATOM 2570 O ASP B 69 10.596 12.112 -18.977 1.00 0.00 O ATOM 2571 CB ASP B 69 13.721 12.927 -19.573 1.00 0.00 C ATOM 2572 CG ASP B 69 14.735 11.995 -18.909 1.00 0.00 C ATOM 2573 OD1 ASP B 69 14.456 10.810 -18.828 1.00 0.00 O ATOM 2574 OD2 ASP B 69 15.772 12.482 -18.492 1.00 0.00 O ATOM 0 H ASP B 69 12.152 13.942 -21.204 1.00 0.00 H new ATOM 0 HA ASP B 69 13.071 11.267 -20.781 1.00 0.00 H new ATOM 0 HB2 ASP B 69 14.218 13.552 -20.315 1.00 0.00 H new ATOM 0 HB3 ASP B 69 13.287 13.597 -18.831 1.00 0.00 H new ATOM 2579 N PHE B 70 12.018 10.523 -18.467 1.00 0.00 N ATOM 2580 CA PHE B 70 11.079 10.025 -17.426 1.00 0.00 C ATOM 2581 C PHE B 70 10.778 11.199 -16.501 1.00 0.00 C ATOM 2582 O PHE B 70 9.702 11.325 -15.966 1.00 0.00 O ATOM 2583 CB PHE B 70 11.681 8.825 -16.660 1.00 0.00 C ATOM 2584 CG PHE B 70 12.492 9.260 -15.449 1.00 0.00 C ATOM 2585 CD1 PHE B 70 13.744 9.867 -15.611 1.00 0.00 C ATOM 2586 CD2 PHE B 70 11.992 9.027 -14.159 1.00 0.00 C ATOM 2587 CE1 PHE B 70 14.493 10.235 -14.483 1.00 0.00 C ATOM 2588 CE2 PHE B 70 12.736 9.400 -13.039 1.00 0.00 C ATOM 2589 CZ PHE B 70 13.985 10.000 -13.197 1.00 0.00 C ATOM 0 H PHE B 70 12.892 10.007 -18.564 1.00 0.00 H new ATOM 0 HA PHE B 70 10.157 9.657 -17.877 1.00 0.00 H new ATOM 0 HB2 PHE B 70 10.877 8.163 -16.337 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.317 8.250 -17.333 1.00 0.00 H new ATOM 0 HD1 PHE B 70 14.132 10.051 -16.602 1.00 0.00 H new ATOM 0 HD2 PHE B 70 11.028 8.557 -14.032 1.00 0.00 H new ATOM 0 HE1 PHE B 70 15.461 10.699 -14.605 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.344 9.224 -12.048 1.00 0.00 H new ATOM 0 HZ PHE B 70 14.561 10.284 -12.329 1.00 0.00 H new ATOM 2599 N GLN B 71 11.726 12.082 -16.358 1.00 0.00 N ATOM 2600 CA GLN B 71 11.509 13.292 -15.525 1.00 0.00 C ATOM 2601 C GLN B 71 10.383 14.129 -16.147 1.00 0.00 C ATOM 2602 O GLN B 71 9.498 14.611 -15.471 1.00 0.00 O ATOM 2603 CB GLN B 71 12.811 14.108 -15.503 1.00 0.00 C ATOM 2604 CG GLN B 71 12.542 15.523 -14.986 1.00 0.00 C ATOM 2605 CD GLN B 71 13.872 16.216 -14.682 1.00 0.00 C ATOM 2606 OE1 GLN B 71 14.925 15.641 -14.871 1.00 0.00 O ATOM 2607 NE2 GLN B 71 13.870 17.435 -14.217 1.00 0.00 N ATOM 0 H GLN B 71 12.649 12.015 -16.787 1.00 0.00 H new ATOM 0 HA GLN B 71 11.232 13.013 -14.509 1.00 0.00 H new ATOM 0 HB2 GLN B 71 13.547 13.615 -14.867 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.236 14.154 -16.506 1.00 0.00 H new ATOM 0 HG2 GLN B 71 11.984 16.093 -15.729 1.00 0.00 H new ATOM 0 HG3 GLN B 71 11.927 15.483 -14.087 1.00 0.00 H new ATOM 0 HE21 GLN B 71 12.986 17.919 -14.058 1.00 0.00 H new ATOM 0 HE22 GLN B 71 14.752 17.904 -14.013 1.00 0.00 H new ATOM 2616 N GLU B 72 10.429 14.319 -17.433 1.00 0.00 N ATOM 2617 CA GLU B 72 9.386 15.134 -18.112 1.00 0.00 C ATOM 2618 C GLU B 72 8.016 14.453 -17.994 1.00 0.00 C ATOM 2619 O GLU B 72 7.005 15.097 -17.767 1.00 0.00 O ATOM 2620 CB GLU B 72 9.788 15.293 -19.578 1.00 0.00 C ATOM 2621 CG GLU B 72 10.931 16.302 -19.690 1.00 0.00 C ATOM 2622 CD GLU B 72 11.486 16.287 -21.116 1.00 0.00 C ATOM 2623 OE1 GLU B 72 12.307 15.432 -21.402 1.00 0.00 O ATOM 2624 OE2 GLU B 72 11.080 17.130 -21.897 1.00 0.00 O ATOM 0 H GLU B 72 11.150 13.942 -18.048 1.00 0.00 H new ATOM 0 HA GLU B 72 9.307 16.114 -17.642 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.097 14.331 -19.987 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.934 15.629 -20.165 1.00 0.00 H new ATOM 0 HG2 GLU B 72 10.575 17.301 -19.437 1.00 0.00 H new ATOM 0 HG3 GLU B 72 11.719 16.055 -18.979 1.00 0.00 H new ATOM 2631 N PHE B 73 7.968 13.158 -18.127 1.00 0.00 N ATOM 2632 CA PHE B 73 6.667 12.453 -18.003 1.00 0.00 C ATOM 2633 C PHE B 73 6.172 12.554 -16.562 1.00 0.00 C ATOM 2634 O PHE B 73 4.987 12.539 -16.308 1.00 0.00 O ATOM 2635 CB PHE B 73 6.829 10.981 -18.385 1.00 0.00 C ATOM 2636 CG PHE B 73 5.517 10.270 -18.153 1.00 0.00 C ATOM 2637 CD1 PHE B 73 4.559 10.216 -19.171 1.00 0.00 C ATOM 2638 CD2 PHE B 73 5.253 9.681 -16.910 1.00 0.00 C ATOM 2639 CE1 PHE B 73 3.337 9.571 -18.948 1.00 0.00 C ATOM 2640 CE2 PHE B 73 4.031 9.037 -16.687 1.00 0.00 C ATOM 2641 CZ PHE B 73 3.073 8.982 -17.706 1.00 0.00 C ATOM 0 H PHE B 73 8.772 12.560 -18.316 1.00 0.00 H new ATOM 0 HA PHE B 73 5.944 12.916 -18.674 1.00 0.00 H new ATOM 0 HB2 PHE B 73 7.126 10.893 -19.430 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.618 10.521 -17.789 1.00 0.00 H new ATOM 0 HD1 PHE B 73 4.762 10.672 -20.129 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.992 9.724 -16.124 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.598 9.528 -19.734 1.00 0.00 H new ATOM 0 HE2 PHE B 73 3.827 8.582 -15.729 1.00 0.00 H new ATOM 0 HZ PHE B 73 2.130 8.485 -17.534 1.00 0.00 H new ATOM 2651 N MET B 74 7.071 12.648 -15.617 1.00 0.00 N ATOM 2652 CA MET B 74 6.650 12.739 -14.191 1.00 0.00 C ATOM 2653 C MET B 74 5.782 13.976 -13.993 1.00 0.00 C ATOM 2654 O MET B 74 4.828 13.970 -13.236 1.00 0.00 O ATOM 2655 CB MET B 74 7.872 12.837 -13.258 1.00 0.00 C ATOM 2656 CG MET B 74 8.622 11.480 -13.168 1.00 0.00 C ATOM 2657 SD MET B 74 8.808 10.994 -11.427 1.00 0.00 S ATOM 2658 CE MET B 74 7.045 10.841 -11.032 1.00 0.00 C ATOM 0 H MET B 74 8.079 12.666 -15.773 1.00 0.00 H new ATOM 0 HA MET B 74 6.089 11.837 -13.945 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.551 13.607 -13.624 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.549 13.143 -12.263 1.00 0.00 H new ATOM 0 HG2 MET B 74 8.071 10.713 -13.712 1.00 0.00 H new ATOM 0 HG3 MET B 74 9.602 11.564 -13.638 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.747 11.659 -10.376 1.00 0.00 H new ATOM 0 HE2 MET B 74 6.461 10.882 -11.952 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.866 9.890 -10.531 1.00 0.00 H new ATOM 2668 N ALA B 75 6.116 15.055 -14.636 1.00 0.00 N ATOM 2669 CA ALA B 75 5.306 16.288 -14.437 1.00 0.00 C ATOM 2670 C ALA B 75 3.911 16.109 -15.042 1.00 0.00 C ATOM 2671 O ALA B 75 2.937 16.631 -14.542 1.00 0.00 O ATOM 2672 CB ALA B 75 6.022 17.489 -15.074 1.00 0.00 C ATOM 0 H ALA B 75 6.901 15.140 -15.281 1.00 0.00 H new ATOM 0 HA ALA B 75 5.194 16.473 -13.369 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.425 18.389 -14.926 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.998 17.620 -14.607 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.151 17.311 -16.142 1.00 0.00 H new ATOM 2678 N PHE B 76 3.804 15.379 -16.106 1.00 0.00 N ATOM 2679 CA PHE B 76 2.464 15.169 -16.731 1.00 0.00 C ATOM 2680 C PHE B 76 1.530 14.498 -15.732 1.00 0.00 C ATOM 2681 O PHE B 76 0.366 14.806 -15.647 1.00 0.00 O ATOM 2682 CB PHE B 76 2.632 14.272 -17.956 1.00 0.00 C ATOM 2683 CG PHE B 76 1.296 14.036 -18.622 1.00 0.00 C ATOM 2684 CD1 PHE B 76 0.725 15.038 -19.412 1.00 0.00 C ATOM 2685 CD2 PHE B 76 0.637 12.811 -18.460 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -0.504 14.819 -20.042 1.00 0.00 C ATOM 2687 CE2 PHE B 76 -0.592 12.589 -19.093 1.00 0.00 C ATOM 2688 CZ PHE B 76 -1.162 13.594 -19.884 1.00 0.00 C ATOM 0 H PHE B 76 4.581 14.915 -16.576 1.00 0.00 H new ATOM 0 HA PHE B 76 2.038 16.128 -17.025 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.321 14.735 -18.662 1.00 0.00 H new ATOM 0 HB3 PHE B 76 3.071 13.319 -17.660 1.00 0.00 H new ATOM 0 HD1 PHE B 76 1.234 15.983 -19.536 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.077 12.038 -17.847 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -0.945 15.595 -20.650 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -1.100 11.644 -18.971 1.00 0.00 H new ATOM 0 HZ PHE B 76 -2.110 13.424 -20.372 1.00 0.00 H new ATOM 2698 N VAL B 77 2.043 13.571 -14.997 1.00 0.00 N ATOM 2699 CA VAL B 77 1.218 12.831 -13.997 1.00 0.00 C ATOM 2700 C VAL B 77 0.654 13.794 -12.955 1.00 0.00 C ATOM 2701 O VAL B 77 -0.450 13.629 -12.483 1.00 0.00 O ATOM 2702 CB VAL B 77 2.082 11.758 -13.295 1.00 0.00 C ATOM 2703 CG1 VAL B 77 1.235 10.530 -12.967 1.00 0.00 C ATOM 2704 CG2 VAL B 77 3.225 11.343 -14.215 1.00 0.00 C ATOM 0 H VAL B 77 3.020 13.281 -15.040 1.00 0.00 H new ATOM 0 HA VAL B 77 0.390 12.349 -14.517 1.00 0.00 H new ATOM 0 HB VAL B 77 2.481 12.177 -12.371 1.00 0.00 H new ATOM 0 HG11 VAL B 77 1.855 9.782 -12.473 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.418 10.818 -12.306 1.00 0.00 H new ATOM 0 HG13 VAL B 77 0.827 10.113 -13.888 1.00 0.00 H new ATOM 0 HG21 VAL B 77 3.834 10.587 -13.720 1.00 0.00 H new ATOM 0 HG22 VAL B 77 2.818 10.933 -15.139 1.00 0.00 H new ATOM 0 HG23 VAL B 77 3.841 12.212 -14.444 1.00 0.00 H new ATOM 2714 N SER B 78 1.409 14.778 -12.567 1.00 0.00 N ATOM 2715 CA SER B 78 0.902 15.717 -11.529 1.00 0.00 C ATOM 2716 C SER B 78 -0.297 16.483 -12.062 1.00 0.00 C ATOM 2717 O SER B 78 -1.252 16.730 -11.353 1.00 0.00 O ATOM 2718 CB SER B 78 1.991 16.718 -11.149 1.00 0.00 C ATOM 2719 OG SER B 78 2.538 17.292 -12.328 1.00 0.00 O ATOM 0 H SER B 78 2.346 14.974 -12.918 1.00 0.00 H new ATOM 0 HA SER B 78 0.612 15.137 -10.653 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.576 17.498 -10.510 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.774 16.220 -10.577 1.00 0.00 H new ATOM 0 HG SER B 78 2.286 16.749 -13.104 1.00 0.00 H new ATOM 2725 N MET B 79 -0.251 16.887 -13.296 1.00 0.00 N ATOM 2726 CA MET B 79 -1.390 17.666 -13.843 1.00 0.00 C ATOM 2727 C MET B 79 -2.629 16.784 -14.029 1.00 0.00 C ATOM 2728 O MET B 79 -3.728 17.164 -13.684 1.00 0.00 O ATOM 2729 CB MET B 79 -0.983 18.285 -15.189 1.00 0.00 C ATOM 2730 CG MET B 79 0.187 19.281 -14.999 1.00 0.00 C ATOM 2731 SD MET B 79 -0.065 20.749 -16.039 1.00 0.00 S ATOM 2732 CE MET B 79 -0.505 19.905 -17.580 1.00 0.00 C ATOM 0 H MET B 79 0.517 16.714 -13.944 1.00 0.00 H new ATOM 0 HA MET B 79 -1.642 18.454 -13.133 1.00 0.00 H new ATOM 0 HB2 MET B 79 -0.689 17.498 -15.883 1.00 0.00 H new ATOM 0 HB3 MET B 79 -1.836 18.798 -15.632 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.257 19.576 -13.952 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.130 18.800 -15.259 1.00 0.00 H new ATOM 0 HE1 MET B 79 -0.207 20.520 -18.429 1.00 0.00 H new ATOM 0 HE2 MET B 79 0.009 18.945 -17.629 1.00 0.00 H new ATOM 0 HE3 MET B 79 -1.582 19.742 -17.611 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.478 15.616 -14.574 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.681 14.756 -14.788 1.00 0.00 C ATOM 2744 C VAL B 80 -4.338 14.416 -13.454 1.00 0.00 C ATOM 2745 O VAL B 80 -5.547 14.346 -13.349 1.00 0.00 O ATOM 2746 CB VAL B 80 -3.317 13.476 -15.533 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -4.604 12.694 -15.815 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -2.643 13.836 -16.861 1.00 0.00 C ATOM 0 H VAL B 80 -1.590 15.218 -14.879 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.388 15.317 -15.399 1.00 0.00 H new ATOM 0 HB VAL B 80 -2.635 12.874 -14.933 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -4.362 11.775 -16.348 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.095 12.449 -14.873 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.273 13.301 -16.425 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -2.382 12.923 -17.396 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -3.328 14.428 -17.468 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -1.739 14.413 -16.666 1.00 0.00 H new ATOM 2758 N THR B 81 -3.565 14.204 -12.434 1.00 0.00 N ATOM 2759 CA THR B 81 -4.167 13.868 -11.116 1.00 0.00 C ATOM 2760 C THR B 81 -5.063 15.020 -10.696 1.00 0.00 C ATOM 2761 O THR B 81 -6.129 14.836 -10.150 1.00 0.00 O ATOM 2762 CB THR B 81 -3.076 13.683 -10.061 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.210 12.630 -10.453 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.721 13.343 -8.709 1.00 0.00 C ATOM 0 H THR B 81 -2.546 14.248 -12.452 1.00 0.00 H new ATOM 0 HA THR B 81 -4.734 12.941 -11.202 1.00 0.00 H new ATOM 0 HB THR B 81 -2.503 14.606 -9.967 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.579 12.959 -11.126 1.00 0.00 H new ATOM 0 HG21 THR B 81 -2.943 13.211 -7.957 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.383 14.155 -8.407 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.296 12.421 -8.802 1.00 0.00 H new ATOM 2772 N THR B 82 -4.618 16.211 -10.942 1.00 0.00 N ATOM 2773 CA THR B 82 -5.409 17.402 -10.558 1.00 0.00 C ATOM 2774 C THR B 82 -6.826 17.257 -11.128 1.00 0.00 C ATOM 2775 O THR B 82 -7.804 17.555 -10.471 1.00 0.00 O ATOM 2776 CB THR B 82 -4.704 18.646 -11.143 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.318 18.367 -11.279 1.00 0.00 O ATOM 2778 CG2 THR B 82 -4.874 19.857 -10.222 1.00 0.00 C ATOM 0 H THR B 82 -3.729 16.414 -11.399 1.00 0.00 H new ATOM 0 HA THR B 82 -5.481 17.503 -9.475 1.00 0.00 H new ATOM 0 HB THR B 82 -5.151 18.876 -12.110 1.00 0.00 H new ATOM 0 HG1 THR B 82 -2.988 17.942 -10.460 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.368 20.719 -10.657 1.00 0.00 H new ATOM 0 HG22 THR B 82 -5.935 20.079 -10.105 1.00 0.00 H new ATOM 0 HG23 THR B 82 -4.440 19.636 -9.247 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.944 16.774 -12.334 1.00 0.00 N ATOM 2787 CA ALA B 83 -8.296 16.580 -12.933 1.00 0.00 C ATOM 2788 C ALA B 83 -9.073 15.570 -12.083 1.00 0.00 C ATOM 2789 O ALA B 83 -10.266 15.692 -11.884 1.00 0.00 O ATOM 2790 CB ALA B 83 -8.154 16.058 -14.365 1.00 0.00 C ATOM 0 H ALA B 83 -6.162 16.505 -12.932 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.832 17.529 -12.956 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -9.143 15.917 -14.801 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.594 16.779 -14.961 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.623 15.106 -14.354 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.399 14.569 -11.582 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.083 13.544 -10.743 1.00 0.00 C ATOM 2798 C CYS B 84 -9.701 14.219 -9.515 1.00 0.00 C ATOM 2799 O CYS B 84 -10.789 13.881 -9.097 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.069 12.489 -10.288 1.00 0.00 C ATOM 2801 SG CYS B 84 -7.182 11.846 -11.730 1.00 0.00 S ATOM 0 H CYS B 84 -7.400 14.417 -11.719 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.867 13.063 -11.329 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.365 12.927 -9.580 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -8.580 11.677 -9.770 1.00 0.00 H new ATOM 0 HG CYS B 84 -6.550 12.817 -12.320 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.021 15.176 -8.934 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.583 15.863 -7.732 1.00 0.00 C ATOM 2809 C HIS B 85 -10.911 16.513 -8.102 1.00 0.00 C ATOM 2810 O HIS B 85 -11.864 16.471 -7.349 1.00 0.00 O ATOM 2811 CB HIS B 85 -8.614 16.951 -7.264 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.184 17.652 -6.060 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -10.248 18.540 -6.158 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -8.848 17.618 -4.728 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -10.512 18.997 -4.920 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -9.688 18.467 -4.016 1.00 0.00 N ATOM 0 H HIS B 85 -8.106 15.509 -9.238 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.731 15.134 -6.935 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -7.648 16.510 -7.017 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.441 17.668 -8.067 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -8.054 17.024 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -11.294 19.705 -4.688 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -9.676 18.647 -3.012 1.00 0.00 H new ATOM 2825 N GLU B 86 -10.993 17.095 -9.261 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.272 17.721 -9.679 1.00 0.00 C ATOM 2827 C GLU B 86 -13.347 16.638 -9.707 1.00 0.00 C ATOM 2828 O GLU B 86 -14.479 16.854 -9.323 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.129 18.332 -11.076 1.00 0.00 C ATOM 2830 CG GLU B 86 -11.220 19.561 -11.017 1.00 0.00 C ATOM 2831 CD GLU B 86 -11.089 20.158 -12.420 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -11.544 19.522 -13.357 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -10.544 21.244 -12.533 1.00 0.00 O ATOM 0 H GLU B 86 -10.231 17.164 -9.936 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.543 18.511 -8.979 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.714 17.595 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -13.109 18.612 -11.462 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -11.633 20.301 -10.331 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -10.238 19.284 -10.634 1.00 0.00 H new ATOM 2840 N PHE B 87 -12.991 15.470 -10.168 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.973 14.352 -10.239 1.00 0.00 C ATOM 2842 C PHE B 87 -14.098 13.687 -8.872 1.00 0.00 C ATOM 2843 O PHE B 87 -15.164 13.278 -8.459 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.484 13.315 -11.248 1.00 0.00 C ATOM 2845 CG PHE B 87 -14.553 12.272 -11.454 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.608 11.150 -10.618 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -15.486 12.422 -12.486 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -15.597 10.179 -10.815 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -16.476 11.452 -12.682 1.00 0.00 C ATOM 2850 CZ PHE B 87 -16.532 10.330 -11.846 1.00 0.00 C ATOM 0 H PHE B 87 -12.054 15.241 -10.501 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.942 14.746 -10.545 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -13.245 13.798 -12.195 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -12.568 12.846 -10.889 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -13.888 11.034 -9.822 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.442 13.287 -13.132 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -15.639 9.313 -10.171 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -17.197 11.569 -13.478 1.00 0.00 H new ATOM 0 HZ PHE B 87 -17.296 9.582 -11.996 1.00 0.00 H new ATOM 2860 N PHE B 88 -13.004 13.559 -8.180 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.027 12.903 -6.846 1.00 0.00 C ATOM 2862 C PHE B 88 -13.515 13.911 -5.794 1.00 0.00 C ATOM 2863 O PHE B 88 -12.816 14.237 -4.856 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.595 12.424 -6.520 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.627 11.152 -5.691 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.208 11.159 -4.417 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.073 9.965 -6.200 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.235 9.986 -3.653 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.101 8.795 -5.434 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.682 8.805 -4.161 1.00 0.00 C ATOM 0 H PHE B 88 -12.086 13.884 -8.484 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.705 12.049 -6.844 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.047 12.247 -7.445 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.061 13.204 -5.977 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.635 12.069 -4.024 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.626 9.956 -7.183 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.683 9.993 -2.670 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.674 7.883 -5.825 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.704 7.901 -3.570 1.00 0.00 H new ATOM 3114 N ARG X 104 21.052 22.643 2.191 1.00 0.00 N ATOM 3115 CA ARG X 104 20.150 21.485 1.932 1.00 0.00 C ATOM 3116 C ARG X 104 19.195 21.822 0.777 1.00 0.00 C ATOM 3117 O ARG X 104 18.898 20.989 -0.065 1.00 0.00 O ATOM 3118 CB ARG X 104 19.335 21.194 3.195 1.00 0.00 C ATOM 3119 CG ARG X 104 20.248 20.620 4.281 1.00 0.00 C ATOM 3120 CD ARG X 104 19.430 20.359 5.547 1.00 0.00 C ATOM 3121 NE ARG X 104 20.323 19.822 6.608 1.00 0.00 N ATOM 3122 CZ ARG X 104 19.928 19.813 7.852 1.00 0.00 C ATOM 3123 NH1 ARG X 104 18.725 20.216 8.163 1.00 0.00 N ATOM 3124 NH2 ARG X 104 20.737 19.392 8.784 1.00 0.00 N ATOM 0 HA ARG X 104 20.745 20.612 1.665 1.00 0.00 H new ATOM 0 HB2 ARG X 104 18.861 22.108 3.552 1.00 0.00 H new ATOM 0 HB3 ARG X 104 18.536 20.488 2.969 1.00 0.00 H new ATOM 0 HG2 ARG X 104 20.707 19.694 3.934 1.00 0.00 H new ATOM 0 HG3 ARG X 104 21.059 21.316 4.496 1.00 0.00 H new ATOM 0 HD2 ARG X 104 18.958 21.281 5.885 1.00 0.00 H new ATOM 0 HD3 ARG X 104 18.629 19.650 5.337 1.00 0.00 H new ATOM 0 HE ARG X 104 21.245 19.460 6.363 1.00 0.00 H new ATOM 0 HH11 ARG X 104 18.091 20.539 7.433 1.00 0.00 H new ATOM 0 HH12 ARG X 104 18.420 20.207 9.136 1.00 0.00 H new ATOM 0 HH21 ARG X 104 21.674 19.072 8.539 1.00 0.00 H new ATOM 0 HH22 ARG X 104 20.433 19.383 9.758 1.00 0.00 H new ATOM 3138 N HIS X 105 18.708 23.033 0.724 1.00 0.00 N ATOM 3139 CA HIS X 105 17.771 23.405 -0.375 1.00 0.00 C ATOM 3140 C HIS X 105 18.460 23.174 -1.724 1.00 0.00 C ATOM 3141 O HIS X 105 17.858 22.712 -2.667 1.00 0.00 O ATOM 3142 CB HIS X 105 17.362 24.886 -0.237 1.00 0.00 C ATOM 3143 CG HIS X 105 18.429 25.790 -0.812 1.00 0.00 C ATOM 3144 ND1 HIS X 105 19.462 26.303 -0.045 1.00 0.00 N ATOM 3145 CD2 HIS X 105 18.637 26.264 -2.084 1.00 0.00 C ATOM 3146 CE1 HIS X 105 20.239 27.047 -0.851 1.00 0.00 C ATOM 3147 NE2 HIS X 105 19.779 27.056 -2.102 1.00 0.00 N ATOM 0 H HIS X 105 18.917 23.777 1.390 1.00 0.00 H new ATOM 0 HA HIS X 105 16.875 22.788 -0.315 1.00 0.00 H new ATOM 0 HB2 HIS X 105 16.417 25.057 -0.752 1.00 0.00 H new ATOM 0 HB3 HIS X 105 17.201 25.128 0.814 1.00 0.00 H new ATOM 0 HD1 HIS X 105 19.607 26.145 0.952 1.00 0.00 H new ATOM 0 HD2 HIS X 105 18.010 26.054 -2.938 1.00 0.00 H new ATOM 0 HE1 HIS X 105 21.125 27.572 -0.526 1.00 0.00 H new ATOM 3156 N LYS X 106 19.719 23.493 -1.816 1.00 0.00 N ATOM 3157 CA LYS X 106 20.450 23.300 -3.099 1.00 0.00 C ATOM 3158 C LYS X 106 20.396 21.831 -3.514 1.00 0.00 C ATOM 3159 O LYS X 106 20.381 21.503 -4.686 1.00 0.00 O ATOM 3160 CB LYS X 106 21.907 23.727 -2.919 1.00 0.00 C ATOM 3161 CG LYS X 106 22.701 23.427 -4.201 1.00 0.00 C ATOM 3162 CD LYS X 106 23.987 24.273 -4.236 1.00 0.00 C ATOM 3163 CE LYS X 106 23.692 25.643 -4.857 1.00 0.00 C ATOM 3164 NZ LYS X 106 24.793 26.588 -4.522 1.00 0.00 N ATOM 0 H LYS X 106 20.276 23.881 -1.055 1.00 0.00 H new ATOM 0 HA LYS X 106 19.982 23.906 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS X 106 21.958 24.791 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS X 106 22.349 23.198 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS X 106 22.952 22.367 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS X 106 22.089 23.645 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS X 106 24.378 24.398 -3.226 1.00 0.00 H new ATOM 0 HD3 LYS X 106 24.755 23.759 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS X 106 23.595 25.550 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS X 106 22.743 26.027 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 24.593 27.518 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 24.865 26.684 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 25.691 26.223 -4.899 1.00 0.00 H new ATOM 3178 N LYS X 107 20.374 20.942 -2.567 1.00 0.00 N ATOM 3179 CA LYS X 107 20.333 19.499 -2.917 1.00 0.00 C ATOM 3180 C LYS X 107 19.071 19.211 -3.740 1.00 0.00 C ATOM 3181 O LYS X 107 19.138 18.575 -4.767 1.00 0.00 O ATOM 3182 CB LYS X 107 20.304 18.676 -1.621 1.00 0.00 C ATOM 3183 CG LYS X 107 20.322 17.174 -1.935 1.00 0.00 C ATOM 3184 CD LYS X 107 20.070 16.379 -0.648 1.00 0.00 C ATOM 3185 CE LYS X 107 21.150 16.691 0.395 1.00 0.00 C ATOM 3186 NZ LYS X 107 22.479 16.818 -0.269 1.00 0.00 N ATOM 0 H LYS X 107 20.383 21.150 -1.568 1.00 0.00 H new ATOM 0 HA LYS X 107 21.212 19.232 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS X 107 21.162 18.934 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS X 107 19.411 18.922 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS X 107 19.559 16.938 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS X 107 21.283 16.893 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS X 107 19.087 16.626 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS X 107 20.066 15.311 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS X 107 20.906 17.616 0.918 1.00 0.00 H new ATOM 0 HE3 LYS X 107 21.183 15.900 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 23.233 16.707 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 22.576 16.081 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 22.557 17.755 -0.714 1.00 0.00 H new ATOM 3200 N LEU X 108 17.926 19.667 -3.306 1.00 0.00 N ATOM 3201 CA LEU X 108 16.671 19.396 -4.084 1.00 0.00 C ATOM 3202 C LEU X 108 16.672 20.192 -5.400 1.00 0.00 C ATOM 3203 O LEU X 108 16.046 19.821 -6.380 1.00 0.00 O ATOM 3204 CB LEU X 108 15.454 19.791 -3.245 1.00 0.00 C ATOM 3205 CG LEU X 108 14.165 19.257 -3.897 1.00 0.00 C ATOM 3206 CD1 LEU X 108 13.977 17.765 -3.575 1.00 0.00 C ATOM 3207 CD2 LEU X 108 12.962 20.035 -3.363 1.00 0.00 C ATOM 0 H LEU X 108 17.801 20.212 -2.453 1.00 0.00 H new ATOM 0 HA LEU X 108 16.625 18.333 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU X 108 15.553 19.391 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU X 108 15.402 20.876 -3.154 1.00 0.00 H new ATOM 0 HG LEU X 108 14.244 19.383 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU X 108 13.061 17.404 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU X 108 14.827 17.200 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU X 108 13.909 17.632 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU X 108 12.050 19.657 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU X 108 12.900 19.911 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU X 108 13.078 21.092 -3.601 1.00 0.00 H new ATOM 3219 N MET X 109 17.364 21.288 -5.435 1.00 0.00 N ATOM 3220 CA MET X 109 17.398 22.102 -6.676 1.00 0.00 C ATOM 3221 C MET X 109 17.934 21.258 -7.837 1.00 0.00 C ATOM 3222 O MET X 109 17.662 21.549 -8.984 1.00 0.00 O ATOM 3223 CB MET X 109 18.262 23.351 -6.454 1.00 0.00 C ATOM 3224 CG MET X 109 17.443 24.447 -5.735 1.00 0.00 C ATOM 3225 SD MET X 109 16.270 23.702 -4.563 1.00 0.00 S ATOM 3226 CE MET X 109 15.052 25.039 -4.538 1.00 0.00 C ATOM 0 H MET X 109 17.910 21.658 -4.657 1.00 0.00 H new ATOM 0 HA MET X 109 16.388 22.426 -6.929 1.00 0.00 H new ATOM 0 HB2 MET X 109 19.139 23.094 -5.860 1.00 0.00 H new ATOM 0 HB3 MET X 109 18.624 23.726 -7.411 1.00 0.00 H new ATOM 0 HG2 MET X 109 18.115 25.123 -5.206 1.00 0.00 H new ATOM 0 HG3 MET X 109 16.902 25.045 -6.469 1.00 0.00 H new ATOM 0 HE1 MET X 109 14.236 24.775 -3.866 1.00 0.00 H new ATOM 0 HE2 MET X 109 15.526 25.957 -4.190 1.00 0.00 H new ATOM 0 HE3 MET X 109 14.659 25.192 -5.543 1.00 0.00 H new ATOM 3236 N PHE X 110 18.705 20.226 -7.556 1.00 0.00 N ATOM 3237 CA PHE X 110 19.263 19.378 -8.664 1.00 0.00 C ATOM 3238 C PHE X 110 18.187 19.174 -9.748 1.00 0.00 C ATOM 3239 O PHE X 110 18.482 19.160 -10.923 1.00 0.00 O ATOM 3240 CB PHE X 110 19.786 18.027 -8.092 1.00 0.00 C ATOM 3241 CG PHE X 110 18.760 16.905 -8.182 1.00 0.00 C ATOM 3242 CD1 PHE X 110 18.533 16.268 -9.408 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.059 16.482 -7.038 1.00 0.00 C ATOM 3244 CE1 PHE X 110 17.606 15.221 -9.494 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.136 15.435 -7.126 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.907 14.807 -8.352 1.00 0.00 C ATOM 0 H PHE X 110 18.969 19.937 -6.614 1.00 0.00 H new ATOM 0 HA PHE X 110 20.111 19.881 -9.128 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.685 17.734 -8.633 1.00 0.00 H new ATOM 0 HB3 PHE X 110 20.073 18.167 -7.050 1.00 0.00 H new ATOM 0 HD1 PHE X 110 19.073 16.584 -10.288 1.00 0.00 H new ATOM 0 HD2 PHE X 110 18.234 16.967 -6.089 1.00 0.00 H new ATOM 0 HE1 PHE X 110 17.430 14.733 -10.441 1.00 0.00 H new ATOM 0 HE2 PHE X 110 16.600 15.112 -6.246 1.00 0.00 H new ATOM 0 HZ PHE X 110 16.191 14.002 -8.420 1.00 0.00 H new ATOM 3256 N LYS X 111 16.942 19.059 -9.359 1.00 0.00 N ATOM 3257 CA LYS X 111 15.844 18.917 -10.367 1.00 0.00 C ATOM 3258 C LYS X 111 15.492 20.285 -10.927 1.00 0.00 C ATOM 3259 O LYS X 111 15.189 20.433 -12.095 1.00 0.00 O ATOM 3260 CB LYS X 111 14.620 18.332 -9.706 1.00 0.00 C ATOM 3261 CG LYS X 111 15.003 16.976 -9.157 1.00 0.00 C ATOM 3262 CD LYS X 111 13.802 16.335 -8.475 1.00 0.00 C ATOM 3263 CE LYS X 111 13.532 17.009 -7.110 1.00 0.00 C ATOM 3264 NZ LYS X 111 13.714 15.998 -6.035 1.00 0.00 N ATOM 0 H LYS X 111 16.637 19.057 -8.386 1.00 0.00 H new ATOM 0 HA LYS X 111 16.179 18.260 -11.170 1.00 0.00 H new ATOM 0 HB2 LYS X 111 14.268 18.984 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS X 111 13.805 18.239 -10.423 1.00 0.00 H new ATOM 0 HG2 LYS X 111 15.359 16.335 -9.963 1.00 0.00 H new ATOM 0 HG3 LYS X 111 15.823 17.080 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS X 111 12.923 16.426 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS X 111 13.983 15.270 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS X 111 14.214 17.846 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS X 111 12.520 17.413 -7.082 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 13.032 16.177 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 13.557 15.046 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 14.681 16.063 -5.658 1.00 0.00 H new ATOM 3278 N THR X 112 15.517 21.293 -10.101 1.00 0.00 N ATOM 3279 CA THR X 112 15.181 22.647 -10.610 1.00 0.00 C ATOM 3280 C THR X 112 16.180 22.983 -11.714 1.00 0.00 C ATOM 3281 O THR X 112 15.873 23.678 -12.663 1.00 0.00 O ATOM 3282 CB THR X 112 15.276 23.678 -9.480 1.00 0.00 C ATOM 3283 OG1 THR X 112 16.580 23.654 -8.917 1.00 0.00 O ATOM 3284 CG2 THR X 112 14.240 23.354 -8.401 1.00 0.00 C ATOM 0 H THR X 112 15.752 21.238 -9.110 1.00 0.00 H new ATOM 0 HA THR X 112 14.162 22.667 -10.996 1.00 0.00 H new ATOM 0 HB THR X 112 15.079 24.672 -9.881 1.00 0.00 H new ATOM 0 HG1 THR X 112 17.052 22.850 -9.219 1.00 0.00 H new ATOM 0 HG21 THR X 112 14.309 24.088 -7.598 1.00 0.00 H new ATOM 0 HG22 THR X 112 13.241 23.384 -8.835 1.00 0.00 H new ATOM 0 HG23 THR X 112 14.431 22.359 -8.000 1.00 0.00 H new ATOM 3292 N GLU X 113 17.375 22.465 -11.597 1.00 0.00 N ATOM 3293 CA GLU X 113 18.420 22.709 -12.633 1.00 0.00 C ATOM 3294 CB GLU X 113 18.145 21.815 -13.845 1.00 0.00 C ATOM 3295 CG GLU X 113 18.156 20.344 -13.413 1.00 0.00 C ATOM 3296 CD GLU X 113 17.881 19.452 -14.625 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.506 19.985 -15.657 1.00 0.00 O ATOM 3298 OE2 GLU X 113 18.059 18.251 -14.503 1.00 0.00 O ATOM 0 H GLU X 113 17.674 21.877 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.180 22.068 -14.285 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.900 21.984 -14.613 1.00 0.00 H new ATOM 0 HG2 GLU X 113 19.121 20.091 -12.974 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.401 20.174 -12.645 1.00 0.00 H new ATOM 3493 N ARG Y 104 -10.753 17.106 -28.327 1.00 0.00 N ATOM 3494 CA ARG Y 104 -10.523 16.383 -27.042 1.00 0.00 C ATOM 3495 C ARG Y 104 -9.232 16.885 -26.382 1.00 0.00 C ATOM 3496 O ARG Y 104 -9.160 17.047 -25.173 1.00 0.00 O ATOM 3497 CB ARG Y 104 -10.398 14.883 -27.322 1.00 0.00 C ATOM 3498 CG ARG Y 104 -11.759 14.318 -27.731 1.00 0.00 C ATOM 3499 CD ARG Y 104 -11.626 12.822 -28.021 1.00 0.00 C ATOM 3500 NE ARG Y 104 -12.939 12.296 -28.481 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -13.012 11.139 -29.082 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -11.938 10.417 -29.250 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -14.165 10.706 -29.511 1.00 0.00 N ATOM 0 HA ARG Y 104 -11.363 16.567 -26.372 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -9.669 14.711 -28.114 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -10.032 14.367 -26.434 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -12.486 14.482 -26.936 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -12.130 14.839 -28.614 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -10.865 12.653 -28.783 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -11.302 12.293 -27.125 1.00 0.00 H new ATOM 0 HE ARG Y 104 -13.787 12.842 -28.326 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -11.038 10.756 -28.911 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -11.999 9.514 -29.720 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -15.004 11.270 -29.376 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -14.228 9.803 -29.981 1.00 0.00 H new ATOM 3517 N HIS Y 105 -8.208 17.131 -27.155 1.00 0.00 N ATOM 3518 CA HIS Y 105 -6.932 17.610 -26.552 1.00 0.00 C ATOM 3519 C HIS Y 105 -7.197 18.909 -25.783 1.00 0.00 C ATOM 3520 O HIS Y 105 -6.663 19.131 -24.720 1.00 0.00 O ATOM 3521 CB HIS Y 105 -5.887 17.858 -27.660 1.00 0.00 C ATOM 3522 CG HIS Y 105 -6.123 19.195 -28.322 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -6.915 19.340 -29.450 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -5.693 20.459 -28.004 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -6.941 20.647 -29.766 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -6.212 21.369 -28.917 1.00 0.00 N ATOM 0 H HIS Y 105 -8.200 17.022 -28.169 1.00 0.00 H new ATOM 0 HA HIS Y 105 -6.545 16.854 -25.869 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -4.884 17.828 -27.235 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -5.942 17.063 -28.404 1.00 0.00 H new ATOM 0 HD1 HIS Y 105 -7.392 18.590 -29.951 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -5.050 20.708 -27.172 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -7.485 21.059 -30.603 1.00 0.00 H new ATOM 3535 N LYS Y 106 -8.020 19.766 -26.317 1.00 0.00 N ATOM 3536 CA LYS Y 106 -8.316 21.052 -25.626 1.00 0.00 C ATOM 3537 C LYS Y 106 -8.892 20.776 -24.239 1.00 0.00 C ATOM 3538 O LYS Y 106 -8.688 21.533 -23.307 1.00 0.00 O ATOM 3539 CB LYS Y 106 -9.329 21.850 -26.449 1.00 0.00 C ATOM 3540 CG LYS Y 106 -9.716 23.131 -25.695 1.00 0.00 C ATOM 3541 CD LYS Y 106 -10.317 24.161 -26.670 1.00 0.00 C ATOM 3542 CE LYS Y 106 -9.197 24.993 -27.306 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -9.716 25.679 -28.523 1.00 0.00 N ATOM 0 H LYS Y 106 -8.503 19.631 -27.206 1.00 0.00 H new ATOM 0 HA LYS Y 106 -7.394 21.625 -25.523 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -8.904 22.103 -27.420 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -10.216 21.245 -26.637 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -10.437 22.897 -24.912 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -8.838 23.552 -25.205 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -10.888 23.650 -27.446 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -11.011 24.814 -26.141 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -8.825 25.728 -26.592 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -8.357 24.350 -27.568 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -8.956 26.243 -28.954 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -10.050 24.969 -29.206 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -10.504 26.304 -28.260 1.00 0.00 H new ATOM 3557 N LYS Y 107 -9.614 19.704 -24.091 1.00 0.00 N ATOM 3558 CA LYS Y 107 -10.207 19.392 -22.765 1.00 0.00 C ATOM 3559 C LYS Y 107 -9.086 19.246 -21.729 1.00 0.00 C ATOM 3560 O LYS Y 107 -9.150 19.820 -20.667 1.00 0.00 O ATOM 3561 CB LYS Y 107 -10.991 18.075 -22.866 1.00 0.00 C ATOM 3562 CG LYS Y 107 -11.683 17.760 -21.531 1.00 0.00 C ATOM 3563 CD LYS Y 107 -12.295 16.353 -21.582 1.00 0.00 C ATOM 3564 CE LYS Y 107 -13.310 16.257 -22.725 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -14.088 17.524 -22.813 1.00 0.00 N ATOM 0 H LYS Y 107 -9.819 19.031 -24.830 1.00 0.00 H new ATOM 0 HA LYS Y 107 -10.877 20.195 -22.459 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -11.734 18.147 -23.660 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -10.316 17.262 -23.134 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -10.964 17.825 -20.714 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -12.460 18.498 -21.331 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -11.508 15.612 -21.722 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -12.782 16.126 -20.634 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -12.795 16.069 -23.667 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -13.983 15.416 -22.557 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -15.016 17.332 -23.241 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -14.221 17.917 -21.859 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -13.571 18.209 -23.400 1.00 0.00 H new ATOM 3579 N LEU Y 108 -8.063 18.485 -22.023 1.00 0.00 N ATOM 3580 CA LEU Y 108 -6.950 18.313 -21.029 1.00 0.00 C ATOM 3581 C LEU Y 108 -6.146 19.618 -20.893 1.00 0.00 C ATOM 3582 O LEU Y 108 -5.522 19.887 -19.878 1.00 0.00 O ATOM 3583 CB LEU Y 108 -6.025 17.175 -21.482 1.00 0.00 C ATOM 3584 CG LEU Y 108 -5.066 16.783 -20.339 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -5.778 15.864 -19.331 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -3.852 16.045 -20.913 1.00 0.00 C ATOM 0 H LEU Y 108 -7.946 17.977 -22.900 1.00 0.00 H new ATOM 0 HA LEU Y 108 -7.379 18.066 -20.058 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -6.618 16.311 -21.781 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -5.453 17.487 -22.356 1.00 0.00 H new ATOM 0 HG LEU Y 108 -4.744 17.692 -19.831 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -5.087 15.597 -18.531 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -6.638 16.384 -18.909 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -6.114 14.959 -19.838 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -3.177 15.770 -20.103 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -4.184 15.145 -21.430 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -3.330 16.695 -21.615 1.00 0.00 H new ATOM 3598 N MET Y 109 -6.145 20.435 -21.903 1.00 0.00 N ATOM 3599 CA MET Y 109 -5.379 21.705 -21.820 1.00 0.00 C ATOM 3600 C MET Y 109 -5.886 22.542 -20.643 1.00 0.00 C ATOM 3601 O MET Y 109 -5.168 23.379 -20.134 1.00 0.00 O ATOM 3602 CB MET Y 109 -5.487 22.481 -23.142 1.00 0.00 C ATOM 3603 CG MET Y 109 -4.483 21.917 -24.172 1.00 0.00 C ATOM 3604 SD MET Y 109 -4.308 20.119 -23.979 1.00 0.00 S ATOM 3605 CE MET Y 109 -2.643 19.959 -24.667 1.00 0.00 C ATOM 0 H MET Y 109 -6.640 20.280 -22.781 1.00 0.00 H new ATOM 0 HA MET Y 109 -4.326 21.479 -21.651 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -6.502 22.408 -23.534 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -5.287 23.539 -22.969 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -4.822 22.148 -25.182 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -3.513 22.398 -24.043 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -2.338 18.913 -24.642 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -2.640 20.313 -25.698 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -1.947 20.554 -24.077 1.00 0.00 H new ATOM 3615 N PHE Y 110 -7.119 22.344 -20.216 1.00 0.00 N ATOM 3616 CA PHE Y 110 -7.659 23.155 -19.072 1.00 0.00 C ATOM 3617 C PHE Y 110 -6.563 23.334 -18.004 1.00 0.00 C ATOM 3618 O PHE Y 110 -6.450 24.376 -17.397 1.00 0.00 O ATOM 3619 CB PHE Y 110 -8.939 22.483 -18.491 1.00 0.00 C ATOM 3620 CG PHE Y 110 -8.651 21.576 -17.300 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -8.431 22.137 -16.035 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.639 20.177 -17.450 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -8.192 21.308 -14.930 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.404 19.352 -16.346 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -8.178 19.913 -15.088 1.00 0.00 C ATOM 0 H PHE Y 110 -7.768 21.661 -20.608 1.00 0.00 H new ATOM 0 HA PHE Y 110 -7.948 24.145 -19.425 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -9.643 23.258 -18.188 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -9.424 21.901 -19.275 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -8.446 23.210 -15.911 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -8.812 19.739 -18.422 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -8.019 21.743 -13.957 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -8.397 18.279 -16.467 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.993 19.275 -14.237 1.00 0.00 H new ATOM 3635 N LYS Y 111 -5.735 22.340 -17.807 1.00 0.00 N ATOM 3636 CA LYS Y 111 -4.614 22.473 -16.824 1.00 0.00 C ATOM 3637 C LYS Y 111 -3.466 23.235 -17.463 1.00 0.00 C ATOM 3638 O LYS Y 111 -2.792 24.020 -16.824 1.00 0.00 O ATOM 3639 CB LYS Y 111 -4.133 21.099 -16.424 1.00 0.00 C ATOM 3640 CG LYS Y 111 -5.305 20.386 -15.791 1.00 0.00 C ATOM 3641 CD LYS Y 111 -4.891 18.986 -15.363 1.00 0.00 C ATOM 3642 CE LYS Y 111 -4.750 18.062 -16.597 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -5.703 16.928 -16.463 1.00 0.00 N ATOM 0 H LYS Y 111 -5.786 21.440 -18.285 1.00 0.00 H new ATOM 0 HA LYS Y 111 -4.967 23.011 -15.944 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -3.771 20.549 -17.293 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -3.301 21.171 -15.723 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -5.661 20.949 -14.928 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -6.132 20.330 -16.498 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -3.945 19.029 -14.823 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -5.631 18.575 -14.676 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -4.955 18.620 -17.511 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -3.729 17.689 -16.673 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -5.299 16.080 -16.910 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -5.878 16.738 -15.455 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -6.600 17.171 -16.930 1.00 0.00 H new ATOM 3657 N THR Y 112 -3.223 23.007 -18.723 1.00 0.00 N ATOM 3658 CA THR Y 112 -2.109 23.737 -19.382 1.00 0.00 C ATOM 3659 C THR Y 112 -2.414 25.230 -19.284 1.00 0.00 C ATOM 3660 O THR Y 112 -1.526 26.054 -19.193 1.00 0.00 O ATOM 3661 CB THR Y 112 -1.996 23.308 -20.846 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -3.212 23.598 -21.522 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -1.719 21.806 -20.907 1.00 0.00 C ATOM 0 H THR Y 112 -3.739 22.357 -19.316 1.00 0.00 H new ATOM 0 HA THR Y 112 -1.160 23.514 -18.895 1.00 0.00 H new ATOM 0 HB THR Y 112 -1.182 23.850 -21.326 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -3.914 23.788 -20.865 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -1.637 21.493 -21.948 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -0.786 21.587 -20.388 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -2.536 21.266 -20.429 1.00 0.00 H new ATOM 3671 N GLU Y 113 -3.677 25.575 -19.269 1.00 0.00 N ATOM 3672 CA GLU Y 113 -4.078 27.007 -19.144 1.00 0.00 C ATOM 3673 CB GLU Y 113 -3.936 27.436 -17.680 1.00 0.00 C ATOM 3674 CG GLU Y 113 -4.824 26.550 -16.797 1.00 0.00 C ATOM 3675 CD GLU Y 113 -4.683 26.976 -15.335 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -3.791 27.758 -15.050 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -5.474 26.519 -14.527 1.00 0.00 O ATOM 0 H GLU Y 113 -4.454 24.918 -19.339 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -2.896 27.354 -17.366 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -4.222 28.482 -17.567 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -5.864 26.633 -17.111 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -4.539 25.504 -16.911 1.00 0.00 H new