USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 770 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 180:sc= -0.519 USER MOD Set 1.2: A 95 HEM CMB :methyl -30:sc= -5.21! (180deg=-5.26!) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.624 K(o=1.2,f=-2.1) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.601 K(o=1.2,f=-2.2) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -153:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= 0.645 USER MOD Single : A 1 ASP N :NH3+ -155:sc= 1.2 (180deg=0.519) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc=-0.00228 (180deg=-0.0744) USER MOD Single : A 6 TYR OH : rot 180:sc=-0.000957 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.051 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -5.33! X(o=-5.3!,f=-5.2) USER MOD Single : A 16 ASN : amide:sc= -2.82 K(o=-2.8,f=-5.8!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=-0.048) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 22:sc= 0.266 USER MOD Single : A 21 THR OG1 : rot 20:sc= 0.0451 USER MOD Single : A 26 HIS : no HD1:sc= -0.0524 K(o=-0.052,f=-3.4!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot -80:sc= -0.141 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 140:sc= -0.494 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -41:sc= 0.5 USER MOD Single : A 80 HIS : no HD1:sc= -0.703 K(o=-0.7,f=-1.7) USER MOD Single : A 85 SER OG : rot -103:sc= 0.696 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -72:sc= 0.886 USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.047 (180deg=-0.338) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -2.28 (180deg=-2.28) USER MOD Single : A 95 HEM CMD :methyl 150:sc= -0.115 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -20.482 -10.652 8.933 1.00 11.94 N ATOM 2 CA ASP A 1 -19.916 -10.726 7.570 1.00 11.26 C ATOM 3 C ASP A 1 -18.803 -9.698 7.521 1.00 9.48 C ATOM 4 O ASP A 1 -18.366 -9.279 8.591 1.00 9.29 O ATOM 5 CB ASP A 1 -19.325 -12.103 7.224 1.00 12.59 C ATOM 6 CG ASP A 1 -20.318 -13.250 7.382 1.00 14.38 C ATOM 7 OD1 ASP A 1 -21.189 -13.114 8.268 1.00 14.69 O ATOM 8 OD2 ASP A 1 -20.183 -14.234 6.629 1.00 15.64 O ATOM 0 H1 ASP A 1 -20.925 -11.561 9.175 1.00 11.94 H new ATOM 0 H2 ASP A 1 -19.723 -10.445 9.613 1.00 11.94 H new ATOM 0 H3 ASP A 1 -21.197 -9.897 8.972 1.00 11.94 H new ATOM 0 HA ASP A 1 -20.713 -10.545 6.849 1.00 11.26 H new ATOM 0 HB2 ASP A 1 -18.963 -12.086 6.196 1.00 12.59 H new ATOM 0 HB3 ASP A 1 -18.462 -12.290 7.863 1.00 12.59 H new ATOM 15 N LYS A 2 -18.298 -9.321 6.344 1.00 8.58 N ATOM 16 CA LYS A 2 -17.176 -8.399 6.309 1.00 7.31 C ATOM 17 C LYS A 2 -17.367 -7.404 5.176 1.00 6.06 C ATOM 18 O LYS A 2 -17.544 -7.787 4.020 1.00 6.29 O ATOM 19 CB LYS A 2 -15.862 -9.185 6.221 1.00 8.39 C ATOM 20 CG LYS A 2 -14.734 -8.452 6.958 1.00 8.94 C ATOM 21 CD LYS A 2 -13.594 -9.428 7.258 1.00 10.69 C ATOM 22 CE LYS A 2 -12.343 -8.652 7.675 1.00 11.79 C ATOM 23 NZ LYS A 2 -11.284 -9.556 8.172 1.00 13.62 N ATOM 0 H LYS A 2 -18.639 -9.631 5.434 1.00 8.58 H new ATOM 0 HA LYS A 2 -17.127 -7.817 7.229 1.00 7.31 H new ATOM 0 HB2 LYS A 2 -15.998 -10.177 6.651 1.00 8.39 H new ATOM 0 HB3 LYS A 2 -15.587 -9.326 5.176 1.00 8.39 H new ATOM 0 HG2 LYS A 2 -14.367 -7.625 6.350 1.00 8.94 H new ATOM 0 HG3 LYS A 2 -15.112 -8.023 7.886 1.00 8.94 H new ATOM 0 HD2 LYS A 2 -13.889 -10.113 8.052 1.00 10.69 H new ATOM 0 HD3 LYS A 2 -13.381 -10.034 6.377 1.00 10.69 H new ATOM 0 HE2 LYS A 2 -11.967 -8.082 6.825 1.00 11.79 H new ATOM 0 HE3 LYS A 2 -12.602 -7.932 8.452 1.00 11.79 H new ATOM 0 HZ1 LYS A 2 -10.451 -8.997 8.446 1.00 13.62 H new ATOM 0 HZ2 LYS A 2 -11.635 -10.081 8.998 1.00 13.62 H new ATOM 0 HZ3 LYS A 2 -11.020 -10.227 7.422 1.00 13.62 H new ATOM 37 N ASP A 3 -17.339 -6.127 5.529 1.00 5.24 N ATOM 38 CA ASP A 3 -17.614 -5.022 4.640 1.00 4.35 C ATOM 39 C ASP A 3 -16.317 -4.234 4.593 1.00 3.45 C ATOM 40 O ASP A 3 -15.826 -3.799 5.633 1.00 3.88 O ATOM 41 CB ASP A 3 -18.775 -4.166 5.175 1.00 5.03 C ATOM 42 CG ASP A 3 -19.980 -5.002 5.614 1.00 6.11 C ATOM 43 OD1 ASP A 3 -19.877 -5.629 6.695 1.00 6.94 O ATOM 44 OD2 ASP A 3 -20.977 -5.013 4.862 1.00 6.67 O ATOM 0 H ASP A 3 -17.115 -5.828 6.478 1.00 5.24 H new ATOM 0 HA ASP A 3 -17.922 -5.352 3.648 1.00 4.35 H new ATOM 0 HB2 ASP A 3 -18.423 -3.574 6.020 1.00 5.03 H new ATOM 0 HB3 ASP A 3 -19.088 -3.464 4.402 1.00 5.03 H new ATOM 49 N VAL A 4 -15.719 -4.103 3.412 1.00 2.50 N ATOM 50 CA VAL A 4 -14.505 -3.337 3.236 1.00 1.94 C ATOM 51 C VAL A 4 -14.880 -2.197 2.297 1.00 1.57 C ATOM 52 O VAL A 4 -15.919 -1.564 2.472 1.00 2.08 O ATOM 53 CB VAL A 4 -13.361 -4.250 2.750 1.00 1.76 C ATOM 54 CG1 VAL A 4 -12.001 -3.563 2.949 1.00 2.40 C ATOM 55 CG2 VAL A 4 -13.341 -5.592 3.493 1.00 2.17 C ATOM 0 H VAL A 4 -16.069 -4.528 2.554 1.00 2.50 H new ATOM 0 HA VAL A 4 -14.113 -2.911 4.160 1.00 1.94 H new ATOM 0 HB VAL A 4 -13.539 -4.437 1.691 1.00 1.76 H new ATOM 0 HG11 VAL A 4 -11.206 -4.222 2.600 1.00 2.40 H new ATOM 0 HG12 VAL A 4 -11.977 -2.633 2.381 1.00 2.40 H new ATOM 0 HG13 VAL A 4 -11.854 -3.346 4.007 1.00 2.40 H new ATOM 0 HG21 VAL A 4 -12.520 -6.203 3.119 1.00 2.17 H new ATOM 0 HG22 VAL A 4 -13.205 -5.415 4.560 1.00 2.17 H new ATOM 0 HG23 VAL A 4 -14.284 -6.113 3.329 1.00 2.17 H new ATOM 65 N LYS A 5 -14.050 -1.929 1.296 1.00 1.07 N ATOM 66 CA LYS A 5 -14.317 -0.877 0.331 1.00 0.87 C ATOM 67 C LYS A 5 -14.294 -1.408 -1.084 1.00 1.04 C ATOM 68 O LYS A 5 -15.183 -1.058 -1.847 1.00 2.17 O ATOM 69 CB LYS A 5 -13.316 0.257 0.521 1.00 0.92 C ATOM 70 CG LYS A 5 -13.867 1.626 0.122 1.00 1.35 C ATOM 71 CD LYS A 5 -15.076 2.018 0.979 1.00 1.76 C ATOM 72 CE LYS A 5 -15.283 3.532 0.932 1.00 2.41 C ATOM 73 NZ LYS A 5 -14.300 4.245 1.777 1.00 3.31 N ATOM 0 H LYS A 5 -13.178 -2.433 1.133 1.00 1.07 H new ATOM 0 HA LYS A 5 -15.320 -0.488 0.503 1.00 0.87 H new ATOM 0 HB2 LYS A 5 -13.008 0.288 1.566 1.00 0.92 H new ATOM 0 HB3 LYS A 5 -12.424 0.047 -0.069 1.00 0.92 H new ATOM 0 HG2 LYS A 5 -13.086 2.379 0.228 1.00 1.35 H new ATOM 0 HG3 LYS A 5 -14.155 1.611 -0.929 1.00 1.35 H new ATOM 0 HD2 LYS A 5 -15.969 1.509 0.616 1.00 1.76 H new ATOM 0 HD3 LYS A 5 -14.922 1.696 2.009 1.00 1.76 H new ATOM 0 HE2 LYS A 5 -15.197 3.879 -0.098 1.00 2.41 H new ATOM 0 HE3 LYS A 5 -16.292 3.772 1.266 1.00 2.41 H new ATOM 0 HZ1 LYS A 5 -14.608 5.229 1.912 1.00 3.31 H new ATOM 0 HZ2 LYS A 5 -14.230 3.774 2.702 1.00 3.31 H new ATOM 0 HZ3 LYS A 5 -13.370 4.234 1.312 1.00 3.31 H new ATOM 87 N TYR A 6 -13.340 -2.303 -1.366 1.00 0.89 N ATOM 88 CA TYR A 6 -13.117 -2.953 -2.637 1.00 0.82 C ATOM 89 C TYR A 6 -12.866 -1.911 -3.736 1.00 0.80 C ATOM 90 O TYR A 6 -13.761 -1.165 -4.112 1.00 1.16 O ATOM 91 CB TYR A 6 -14.286 -3.903 -2.899 1.00 0.92 C ATOM 92 CG TYR A 6 -14.765 -4.687 -1.681 1.00 1.49 C ATOM 93 CD1 TYR A 6 -14.053 -5.815 -1.229 1.00 1.86 C ATOM 94 CD2 TYR A 6 -15.921 -4.272 -0.988 1.00 3.06 C ATOM 95 CE1 TYR A 6 -14.507 -6.530 -0.104 1.00 2.27 C ATOM 96 CE2 TYR A 6 -16.386 -4.987 0.131 1.00 3.81 C ATOM 97 CZ TYR A 6 -15.682 -6.132 0.572 1.00 3.00 C ATOM 98 OH TYR A 6 -16.087 -6.844 1.662 1.00 3.76 O ATOM 0 H TYR A 6 -12.668 -2.603 -0.660 1.00 0.89 H new ATOM 0 HA TYR A 6 -12.212 -3.561 -2.628 1.00 0.82 H new ATOM 0 HB2 TYR A 6 -15.123 -3.326 -3.293 1.00 0.92 H new ATOM 0 HB3 TYR A 6 -13.993 -4.610 -3.675 1.00 0.92 H new ATOM 0 HD1 TYR A 6 -13.159 -6.132 -1.745 1.00 1.86 H new ATOM 0 HD2 TYR A 6 -16.456 -3.395 -1.320 1.00 3.06 H new ATOM 0 HE1 TYR A 6 -13.953 -7.389 0.245 1.00 2.27 H new ATOM 0 HE2 TYR A 6 -17.276 -4.663 0.651 1.00 3.81 H new ATOM 0 HH TYR A 6 -16.910 -6.451 2.022 1.00 3.76 H new ATOM 108 N TYR A 7 -11.633 -1.802 -4.240 1.00 0.48 N ATOM 109 CA TYR A 7 -11.299 -0.858 -5.269 1.00 0.44 C ATOM 110 C TYR A 7 -10.772 -1.599 -6.497 1.00 0.46 C ATOM 111 O TYR A 7 -10.250 -2.713 -6.403 1.00 0.48 O ATOM 112 CB TYR A 7 -10.276 0.092 -4.664 1.00 0.41 C ATOM 113 CG TYR A 7 -10.884 1.195 -3.822 1.00 0.44 C ATOM 114 CD1 TYR A 7 -11.760 2.121 -4.413 1.00 1.63 C ATOM 115 CD2 TYR A 7 -10.562 1.318 -2.463 1.00 1.80 C ATOM 116 CE1 TYR A 7 -12.250 3.215 -3.681 1.00 1.67 C ATOM 117 CE2 TYR A 7 -11.103 2.370 -1.704 1.00 1.84 C ATOM 118 CZ TYR A 7 -11.924 3.341 -2.312 1.00 0.67 C ATOM 119 OH TYR A 7 -12.373 4.404 -1.585 1.00 0.82 O ATOM 0 H TYR A 7 -10.847 -2.376 -3.933 1.00 0.48 H new ATOM 0 HA TYR A 7 -12.163 -0.288 -5.611 1.00 0.44 H new ATOM 0 HB2 TYR A 7 -9.582 -0.481 -4.049 1.00 0.41 H new ATOM 0 HB3 TYR A 7 -9.693 0.542 -5.468 1.00 0.41 H new ATOM 0 HD1 TYR A 7 -12.060 1.990 -5.442 1.00 1.63 H new ATOM 0 HD2 TYR A 7 -9.898 0.604 -1.999 1.00 1.80 H new ATOM 0 HE1 TYR A 7 -12.872 3.955 -4.162 1.00 1.67 H new ATOM 0 HE2 TYR A 7 -10.888 2.435 -0.648 1.00 1.84 H new ATOM 0 HH TYR A 7 -12.053 4.327 -0.662 1.00 0.82 H new ATOM 129 N THR A 8 -10.930 -0.977 -7.661 1.00 0.51 N ATOM 130 CA THR A 8 -10.575 -1.560 -8.941 1.00 0.58 C ATOM 131 C THR A 8 -9.157 -1.145 -9.274 1.00 0.54 C ATOM 132 O THR A 8 -8.757 -0.042 -8.930 1.00 0.53 O ATOM 133 CB THR A 8 -11.531 -1.014 -10.007 1.00 0.70 C ATOM 134 OG1 THR A 8 -11.633 0.392 -9.886 1.00 0.81 O ATOM 135 CG2 THR A 8 -12.918 -1.616 -9.828 1.00 0.81 C ATOM 0 H THR A 8 -11.316 -0.036 -7.738 1.00 0.51 H new ATOM 0 HA THR A 8 -10.646 -2.647 -8.906 1.00 0.58 H new ATOM 0 HB THR A 8 -11.139 -1.278 -10.989 1.00 0.70 H new ATOM 0 HG1 THR A 8 -12.244 0.736 -10.571 1.00 0.81 H new ATOM 0 HG21 THR A 8 -13.588 -1.220 -10.591 1.00 0.81 H new ATOM 0 HG22 THR A 8 -12.859 -2.700 -9.924 1.00 0.81 H new ATOM 0 HG23 THR A 8 -13.301 -1.359 -8.840 1.00 0.81 H new ATOM 143 N LEU A 9 -8.385 -1.974 -9.978 1.00 0.58 N ATOM 144 CA LEU A 9 -6.976 -1.662 -10.197 1.00 0.60 C ATOM 145 C LEU A 9 -6.807 -0.279 -10.807 1.00 0.54 C ATOM 146 O LEU A 9 -5.916 0.450 -10.392 1.00 0.52 O ATOM 147 CB LEU A 9 -6.305 -2.691 -11.110 1.00 0.70 C ATOM 148 CG LEU A 9 -6.276 -4.127 -10.575 1.00 0.76 C ATOM 149 CD1 LEU A 9 -5.825 -4.173 -9.116 1.00 0.93 C ATOM 150 CD2 LEU A 9 -7.616 -4.849 -10.730 1.00 1.08 C ATOM 0 H LEU A 9 -8.704 -2.847 -10.397 1.00 0.58 H new ATOM 0 HA LEU A 9 -6.496 -1.689 -9.219 1.00 0.60 H new ATOM 0 HB2 LEU A 9 -6.820 -2.690 -12.070 1.00 0.70 H new ATOM 0 HB3 LEU A 9 -5.280 -2.371 -11.298 1.00 0.70 H new ATOM 0 HG LEU A 9 -5.547 -4.656 -11.189 1.00 0.76 H new ATOM 0 HD11 LEU A 9 -5.816 -5.207 -8.770 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -4.822 -3.754 -9.032 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -6.514 -3.591 -8.504 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -7.532 -5.861 -10.333 1.00 1.08 H new ATOM 0 HD22 LEU A 9 -8.387 -4.307 -10.182 1.00 1.08 H new ATOM 0 HD23 LEU A 9 -7.885 -4.894 -11.785 1.00 1.08 H new ATOM 162 N GLU A 10 -7.666 0.101 -11.755 1.00 0.58 N ATOM 163 CA GLU A 10 -7.638 1.437 -12.338 1.00 0.58 C ATOM 164 C GLU A 10 -7.711 2.515 -11.262 1.00 0.51 C ATOM 165 O GLU A 10 -6.929 3.465 -11.296 1.00 0.54 O ATOM 166 CB GLU A 10 -8.794 1.613 -13.331 1.00 0.69 C ATOM 167 CG GLU A 10 -8.374 1.252 -14.758 1.00 1.24 C ATOM 168 CD GLU A 10 -9.258 1.997 -15.757 1.00 1.62 C ATOM 169 OE1 GLU A 10 -10.377 1.505 -16.015 1.00 2.41 O ATOM 170 OE2 GLU A 10 -8.810 3.074 -16.214 1.00 2.71 O ATOM 0 H GLU A 10 -8.393 -0.505 -12.135 1.00 0.58 H new ATOM 0 HA GLU A 10 -6.691 1.546 -12.867 1.00 0.58 H new ATOM 0 HB2 GLU A 10 -9.632 0.985 -13.029 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -9.143 2.645 -13.304 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -7.328 1.514 -14.917 1.00 1.24 H new ATOM 0 HG3 GLU A 10 -8.460 0.176 -14.912 1.00 1.24 H new ATOM 177 N GLU A 11 -8.616 2.363 -10.295 1.00 0.50 N ATOM 178 CA GLU A 11 -8.715 3.292 -9.187 1.00 0.46 C ATOM 179 C GLU A 11 -7.392 3.323 -8.429 1.00 0.38 C ATOM 180 O GLU A 11 -6.880 4.400 -8.158 1.00 0.38 O ATOM 181 CB GLU A 11 -9.889 2.907 -8.275 1.00 0.52 C ATOM 182 CG GLU A 11 -10.082 3.878 -7.106 1.00 1.16 C ATOM 183 CD GLU A 11 -10.737 5.207 -7.507 1.00 1.19 C ATOM 184 OE1 GLU A 11 -10.556 5.619 -8.678 1.00 1.42 O ATOM 185 OE2 GLU A 11 -11.470 5.759 -6.656 1.00 2.51 O ATOM 0 H GLU A 11 -9.291 1.599 -10.264 1.00 0.50 H new ATOM 0 HA GLU A 11 -8.912 4.296 -9.563 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -10.804 2.872 -8.866 1.00 0.52 H new ATOM 0 HB3 GLU A 11 -9.724 1.903 -7.883 1.00 0.52 H new ATOM 0 HG2 GLU A 11 -10.695 3.397 -6.344 1.00 1.16 H new ATOM 0 HG3 GLU A 11 -9.112 4.084 -6.653 1.00 1.16 H new ATOM 192 N ILE A 12 -6.767 2.182 -8.124 1.00 0.35 N ATOM 193 CA ILE A 12 -5.500 2.204 -7.405 1.00 0.34 C ATOM 194 C ILE A 12 -4.405 2.912 -8.214 1.00 0.36 C ATOM 195 O ILE A 12 -3.569 3.635 -7.668 1.00 0.40 O ATOM 196 CB ILE A 12 -5.075 0.778 -7.035 1.00 0.39 C ATOM 197 CG1 ILE A 12 -6.053 0.192 -6.011 1.00 0.37 C ATOM 198 CG2 ILE A 12 -3.668 0.839 -6.416 1.00 0.53 C ATOM 199 CD1 ILE A 12 -7.339 -0.424 -6.521 1.00 1.08 C ATOM 0 H ILE A 12 -7.113 1.252 -8.360 1.00 0.35 H new ATOM 0 HA ILE A 12 -5.643 2.774 -6.487 1.00 0.34 H new ATOM 0 HB ILE A 12 -5.074 0.148 -7.925 1.00 0.39 H new ATOM 0 HG12 ILE A 12 -5.522 -0.570 -5.441 1.00 0.37 H new ATOM 0 HG13 ILE A 12 -6.318 0.985 -5.312 1.00 0.37 H new ATOM 0 HG21 ILE A 12 -3.346 -0.166 -6.145 1.00 0.53 H new ATOM 0 HG22 ILE A 12 -2.970 1.261 -7.139 1.00 0.53 H new ATOM 0 HG23 ILE A 12 -3.690 1.466 -5.524 1.00 0.53 H new ATOM 0 HD11 ILE A 12 -7.924 -0.794 -5.679 1.00 1.08 H new ATOM 0 HD12 ILE A 12 -7.914 0.329 -7.060 1.00 1.08 H new ATOM 0 HD13 ILE A 12 -7.105 -1.251 -7.192 1.00 1.08 H new ATOM 211 N LYS A 13 -4.411 2.758 -9.538 1.00 0.39 N ATOM 212 CA LYS A 13 -3.470 3.466 -10.394 1.00 0.44 C ATOM 213 C LYS A 13 -3.755 4.973 -10.408 1.00 0.48 C ATOM 214 O LYS A 13 -2.911 5.754 -10.840 1.00 0.88 O ATOM 215 CB LYS A 13 -3.490 2.868 -11.804 1.00 0.66 C ATOM 216 CG LYS A 13 -2.695 1.551 -11.878 1.00 0.91 C ATOM 217 CD LYS A 13 -3.548 0.282 -12.032 1.00 0.96 C ATOM 218 CE LYS A 13 -2.901 -0.665 -13.044 1.00 1.55 C ATOM 219 NZ LYS A 13 -3.275 -0.298 -14.428 1.00 2.15 N ATOM 0 H LYS A 13 -5.059 2.148 -10.037 1.00 0.39 H new ATOM 0 HA LYS A 13 -2.466 3.340 -9.988 1.00 0.44 H new ATOM 0 HB2 LYS A 13 -4.521 2.688 -12.108 1.00 0.66 H new ATOM 0 HB3 LYS A 13 -3.071 3.586 -12.509 1.00 0.66 H new ATOM 0 HG2 LYS A 13 -2.003 1.609 -12.718 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -2.092 1.457 -10.975 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -3.649 -0.217 -11.068 1.00 0.96 H new ATOM 0 HD3 LYS A 13 -4.553 0.547 -12.361 1.00 0.96 H new ATOM 0 HE2 LYS A 13 -1.817 -0.633 -12.936 1.00 1.55 H new ATOM 0 HE3 LYS A 13 -3.212 -1.689 -12.839 1.00 1.55 H new ATOM 0 HZ1 LYS A 13 -2.823 -0.955 -15.096 1.00 2.15 H new ATOM 0 HZ2 LYS A 13 -4.308 -0.352 -14.534 1.00 2.15 H new ATOM 0 HZ3 LYS A 13 -2.957 0.672 -14.628 1.00 2.15 H new ATOM 233 N LYS A 14 -4.875 5.415 -9.844 1.00 0.44 N ATOM 234 CA LYS A 14 -5.239 6.824 -9.715 1.00 0.54 C ATOM 235 C LYS A 14 -4.972 7.362 -8.304 1.00 0.64 C ATOM 236 O LYS A 14 -5.404 8.459 -7.965 1.00 1.03 O ATOM 237 CB LYS A 14 -6.693 6.991 -10.169 1.00 0.63 C ATOM 238 CG LYS A 14 -6.743 6.975 -11.700 1.00 1.47 C ATOM 239 CD LYS A 14 -8.176 6.726 -12.166 1.00 2.10 C ATOM 240 CE LYS A 14 -8.347 7.176 -13.620 1.00 3.20 C ATOM 241 NZ LYS A 14 -9.726 7.645 -13.872 1.00 3.63 N ATOM 0 H LYS A 14 -5.575 4.785 -9.452 1.00 0.44 H new ATOM 0 HA LYS A 14 -4.605 7.432 -10.361 1.00 0.54 H new ATOM 0 HB2 LYS A 14 -7.308 6.188 -9.764 1.00 0.63 H new ATOM 0 HB3 LYS A 14 -7.101 7.928 -9.789 1.00 0.63 H new ATOM 0 HG2 LYS A 14 -6.382 7.924 -12.095 1.00 1.47 H new ATOM 0 HG3 LYS A 14 -6.084 6.197 -12.087 1.00 1.47 H new ATOM 0 HD2 LYS A 14 -8.416 5.667 -12.075 1.00 2.10 H new ATOM 0 HD3 LYS A 14 -8.873 7.267 -11.526 1.00 2.10 H new ATOM 0 HE2 LYS A 14 -7.641 7.976 -13.842 1.00 3.20 H new ATOM 0 HE3 LYS A 14 -8.112 6.349 -14.290 1.00 3.20 H new ATOM 0 HZ1 LYS A 14 -9.815 7.944 -14.864 1.00 3.63 H new ATOM 0 HZ2 LYS A 14 -10.396 6.872 -13.682 1.00 3.63 H new ATOM 0 HZ3 LYS A 14 -9.939 8.449 -13.248 1.00 3.63 H new ATOM 255 N HIS A 15 -4.190 6.639 -7.497 1.00 0.55 N ATOM 256 CA HIS A 15 -3.822 7.031 -6.143 1.00 0.81 C ATOM 257 C HIS A 15 -2.293 6.980 -5.992 1.00 1.11 C ATOM 258 O HIS A 15 -1.725 6.465 -5.036 1.00 2.61 O ATOM 259 CB HIS A 15 -4.593 6.129 -5.185 1.00 1.06 C ATOM 260 CG HIS A 15 -6.072 6.432 -5.153 1.00 0.85 C ATOM 261 ND1 HIS A 15 -6.690 7.567 -4.665 1.00 1.07 N ATOM 262 CD2 HIS A 15 -7.058 5.589 -5.566 1.00 0.83 C ATOM 263 CE1 HIS A 15 -8.018 7.394 -4.797 1.00 1.09 C ATOM 264 NE2 HIS A 15 -8.287 6.208 -5.347 1.00 0.91 N ATOM 0 H HIS A 15 -3.788 5.745 -7.778 1.00 0.55 H new ATOM 0 HA HIS A 15 -4.094 8.060 -5.909 1.00 0.81 H new ATOM 0 HB2 HIS A 15 -4.447 5.089 -5.477 1.00 1.06 H new ATOM 0 HB3 HIS A 15 -4.183 6.239 -4.181 1.00 1.06 H new ATOM 0 HD2 HIS A 15 -6.912 4.607 -5.991 1.00 0.83 H new ATOM 0 HE1 HIS A 15 -8.764 8.116 -4.499 1.00 1.09 H new ATOM 0 HE2 HIS A 15 -9.209 5.830 -5.564 1.00 0.91 H new ATOM 272 N ASN A 16 -1.599 7.527 -6.986 1.00 0.81 N ATOM 273 CA ASN A 16 -0.133 7.570 -7.068 1.00 0.87 C ATOM 274 C ASN A 16 0.390 8.993 -6.888 1.00 0.87 C ATOM 275 O ASN A 16 1.268 9.451 -7.624 1.00 1.36 O ATOM 276 CB ASN A 16 0.366 6.967 -8.387 1.00 1.07 C ATOM 277 CG ASN A 16 0.025 5.496 -8.438 1.00 1.78 C ATOM 278 OD1 ASN A 16 0.886 4.664 -8.233 1.00 3.23 O ATOM 279 ND2 ASN A 16 -1.238 5.166 -8.644 1.00 2.39 N ATOM 0 H ASN A 16 -2.052 7.969 -7.786 1.00 0.81 H new ATOM 0 HA ASN A 16 0.260 6.964 -6.252 1.00 0.87 H new ATOM 0 HB2 ASN A 16 -0.091 7.485 -9.230 1.00 1.07 H new ATOM 0 HB3 ASN A 16 1.444 7.103 -8.475 1.00 1.07 H new ATOM 0 HD21 ASN A 16 -1.517 4.185 -8.634 1.00 2.39 H new ATOM 0 HD22 ASN A 16 -1.934 5.892 -8.813 1.00 2.39 H new ATOM 286 N HIS A 17 -0.165 9.716 -5.917 1.00 0.66 N ATOM 287 CA HIS A 17 0.130 11.128 -5.739 1.00 0.90 C ATOM 288 C HIS A 17 0.433 11.384 -4.265 1.00 1.15 C ATOM 289 O HIS A 17 -0.004 10.612 -3.408 1.00 2.33 O ATOM 290 CB HIS A 17 -1.057 11.959 -6.248 1.00 1.01 C ATOM 291 CG HIS A 17 -1.558 11.515 -7.604 1.00 1.28 C ATOM 292 ND1 HIS A 17 -1.024 11.858 -8.828 1.00 2.58 N ATOM 293 CD2 HIS A 17 -2.570 10.617 -7.833 1.00 1.28 C ATOM 294 CE1 HIS A 17 -1.699 11.172 -9.768 1.00 3.33 C ATOM 295 NE2 HIS A 17 -2.640 10.395 -9.209 1.00 2.51 N ATOM 0 H HIS A 17 -0.827 9.339 -5.238 1.00 0.66 H new ATOM 0 HA HIS A 17 1.006 11.424 -6.316 1.00 0.90 H new ATOM 0 HB2 HIS A 17 -1.873 11.895 -5.528 1.00 1.01 H new ATOM 0 HB3 HIS A 17 -0.762 13.007 -6.302 1.00 1.01 H new ATOM 0 HD2 HIS A 17 -3.200 10.163 -7.082 1.00 1.28 H new ATOM 0 HE1 HIS A 17 -1.509 11.238 -10.829 1.00 3.33 H new ATOM 0 HE2 HIS A 17 -3.280 9.766 -9.694 1.00 2.51 H new ATOM 303 N SER A 18 1.151 12.473 -3.966 1.00 0.97 N ATOM 304 CA SER A 18 1.463 12.923 -2.609 1.00 1.03 C ATOM 305 C SER A 18 0.213 13.499 -1.937 1.00 0.96 C ATOM 306 O SER A 18 0.126 14.698 -1.686 1.00 2.01 O ATOM 307 CB SER A 18 2.588 13.964 -2.663 1.00 1.42 C ATOM 308 OG SER A 18 3.838 13.315 -2.770 1.00 2.51 O ATOM 0 H SER A 18 1.542 13.082 -4.685 1.00 0.97 H new ATOM 0 HA SER A 18 1.799 12.074 -2.014 1.00 1.03 H new ATOM 0 HB2 SER A 18 2.440 14.629 -3.514 1.00 1.42 H new ATOM 0 HB3 SER A 18 2.566 14.584 -1.766 1.00 1.42 H new ATOM 0 HG SER A 18 4.552 13.985 -2.806 1.00 2.51 H new ATOM 314 N LYS A 19 -0.773 12.635 -1.681 1.00 0.91 N ATOM 315 CA LYS A 19 -2.043 12.925 -1.032 1.00 0.88 C ATOM 316 C LYS A 19 -2.954 11.693 -0.942 1.00 0.91 C ATOM 317 O LYS A 19 -3.921 11.693 -0.187 1.00 1.45 O ATOM 318 CB LYS A 19 -2.820 13.981 -1.823 1.00 1.17 C ATOM 319 CG LYS A 19 -3.626 14.848 -0.847 1.00 1.96 C ATOM 320 CD LYS A 19 -3.007 16.244 -0.729 1.00 2.61 C ATOM 321 CE LYS A 19 -3.433 17.064 -1.951 1.00 3.59 C ATOM 322 NZ LYS A 19 -3.915 18.410 -1.573 1.00 4.52 N ATOM 0 H LYS A 19 -0.695 11.652 -1.941 1.00 0.91 H new ATOM 0 HA LYS A 19 -1.790 13.271 -0.030 1.00 0.88 H new ATOM 0 HB2 LYS A 19 -2.132 14.602 -2.397 1.00 1.17 H new ATOM 0 HB3 LYS A 19 -3.488 13.500 -2.538 1.00 1.17 H new ATOM 0 HG2 LYS A 19 -4.657 14.929 -1.191 1.00 1.96 H new ATOM 0 HG3 LYS A 19 -3.653 14.372 0.133 1.00 1.96 H new ATOM 0 HD2 LYS A 19 -3.338 16.730 0.189 1.00 2.61 H new ATOM 0 HD3 LYS A 19 -1.920 16.175 -0.678 1.00 2.61 H new ATOM 0 HE2 LYS A 19 -2.590 17.160 -2.635 1.00 3.59 H new ATOM 0 HE3 LYS A 19 -4.220 16.534 -2.487 1.00 3.59 H new ATOM 0 HZ1 LYS A 19 -4.193 18.932 -2.428 1.00 4.52 H new ATOM 0 HZ2 LYS A 19 -4.735 18.320 -0.940 1.00 4.52 H new ATOM 0 HZ3 LYS A 19 -3.156 18.926 -1.084 1.00 4.52 H new ATOM 336 N SER A 20 -2.713 10.664 -1.753 1.00 0.63 N ATOM 337 CA SER A 20 -3.440 9.410 -1.701 1.00 0.68 C ATOM 338 C SER A 20 -2.484 8.281 -2.055 1.00 0.78 C ATOM 339 O SER A 20 -2.872 7.385 -2.773 1.00 1.65 O ATOM 340 CB SER A 20 -4.594 9.482 -2.700 1.00 0.80 C ATOM 341 OG SER A 20 -5.676 10.206 -2.151 1.00 1.45 O ATOM 0 H SER A 20 -1.993 10.685 -2.475 1.00 0.63 H new ATOM 0 HA SER A 20 -3.844 9.227 -0.705 1.00 0.68 H new ATOM 0 HB2 SER A 20 -4.258 9.960 -3.620 1.00 0.80 H new ATOM 0 HB3 SER A 20 -4.918 8.475 -2.964 1.00 0.80 H new ATOM 0 HG SER A 20 -5.350 10.787 -1.433 1.00 1.45 H new ATOM 347 N THR A 21 -1.220 8.346 -1.644 1.00 0.44 N ATOM 348 CA THR A 21 -0.239 7.296 -1.859 1.00 0.37 C ATOM 349 C THR A 21 -0.771 5.941 -1.399 1.00 0.33 C ATOM 350 O THR A 21 -0.702 5.585 -0.224 1.00 0.44 O ATOM 351 CB THR A 21 1.051 7.681 -1.141 1.00 0.42 C ATOM 352 OG1 THR A 21 1.616 8.779 -1.830 1.00 0.62 O ATOM 353 CG2 THR A 21 2.057 6.537 -1.105 1.00 0.36 C ATOM 0 H THR A 21 -0.845 9.150 -1.141 1.00 0.44 H new ATOM 0 HA THR A 21 -0.033 7.195 -2.924 1.00 0.37 H new ATOM 0 HB THR A 21 0.814 7.932 -0.107 1.00 0.42 H new ATOM 0 HG1 THR A 21 0.927 9.212 -2.376 1.00 0.62 H new ATOM 0 HG21 THR A 21 2.958 6.861 -0.584 1.00 0.36 H new ATOM 0 HG22 THR A 21 1.621 5.686 -0.582 1.00 0.36 H new ATOM 0 HG23 THR A 21 2.312 6.245 -2.124 1.00 0.36 H new ATOM 361 N TRP A 22 -1.305 5.189 -2.353 1.00 0.32 N ATOM 362 CA TRP A 22 -1.746 3.827 -2.171 1.00 0.34 C ATOM 363 C TRP A 22 -0.694 2.918 -2.768 1.00 0.35 C ATOM 364 O TRP A 22 0.259 3.393 -3.378 1.00 0.37 O ATOM 365 CB TRP A 22 -3.086 3.630 -2.876 1.00 0.37 C ATOM 366 CG TRP A 22 -4.253 4.318 -2.246 1.00 0.34 C ATOM 367 CD1 TRP A 22 -4.208 5.232 -1.251 1.00 0.39 C ATOM 368 CD2 TRP A 22 -5.660 4.169 -2.575 1.00 0.35 C ATOM 369 NE1 TRP A 22 -5.477 5.689 -0.975 1.00 0.43 N ATOM 370 CE2 TRP A 22 -6.414 5.078 -1.779 1.00 0.41 C ATOM 371 CE3 TRP A 22 -6.366 3.354 -3.480 1.00 0.37 C ATOM 372 CZ2 TRP A 22 -7.804 5.201 -1.903 1.00 0.49 C ATOM 373 CZ3 TRP A 22 -7.766 3.448 -3.600 1.00 0.44 C ATOM 374 CH2 TRP A 22 -8.477 4.386 -2.830 1.00 0.49 C ATOM 0 H TRP A 22 -1.444 5.529 -3.304 1.00 0.32 H new ATOM 0 HA TRP A 22 -1.879 3.597 -1.114 1.00 0.34 H new ATOM 0 HB2 TRP A 22 -2.991 3.981 -3.903 1.00 0.37 H new ATOM 0 HB3 TRP A 22 -3.298 2.562 -2.923 1.00 0.37 H new ATOM 0 HD1 TRP A 22 -3.309 5.556 -0.747 1.00 0.39 H new ATOM 0 HE1 TRP A 22 -5.695 6.390 -0.267 1.00 0.43 H new ATOM 0 HE3 TRP A 22 -5.826 2.646 -4.091 1.00 0.37 H new ATOM 0 HZ2 TRP A 22 -8.349 5.910 -1.297 1.00 0.49 H new ATOM 0 HZ3 TRP A 22 -8.294 2.800 -4.284 1.00 0.44 H new ATOM 0 HH2 TRP A 22 -9.546 4.481 -2.952 1.00 0.49 H new ATOM 385 N LEU A 23 -0.878 1.614 -2.608 1.00 0.37 N ATOM 386 CA LEU A 23 -0.028 0.565 -3.140 1.00 0.40 C ATOM 387 C LEU A 23 -0.734 -0.768 -2.903 1.00 0.44 C ATOM 388 O LEU A 23 -1.728 -0.817 -2.173 1.00 0.50 O ATOM 389 CB LEU A 23 1.384 0.676 -2.535 1.00 0.40 C ATOM 390 CG LEU A 23 1.436 0.905 -1.013 1.00 0.45 C ATOM 391 CD1 LEU A 23 1.189 -0.389 -0.262 1.00 0.51 C ATOM 392 CD2 LEU A 23 2.804 1.463 -0.599 1.00 0.50 C ATOM 0 H LEU A 23 -1.666 1.244 -2.076 1.00 0.37 H new ATOM 0 HA LEU A 23 0.126 0.657 -4.215 1.00 0.40 H new ATOM 0 HB2 LEU A 23 1.933 -0.237 -2.767 1.00 0.40 H new ATOM 0 HB3 LEU A 23 1.908 1.496 -3.027 1.00 0.40 H new ATOM 0 HG LEU A 23 0.655 1.623 -0.762 1.00 0.45 H new ATOM 0 HD11 LEU A 23 1.231 -0.201 0.811 1.00 0.51 H new ATOM 0 HD12 LEU A 23 0.206 -0.780 -0.524 1.00 0.51 H new ATOM 0 HD13 LEU A 23 1.953 -1.118 -0.532 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.822 1.619 0.480 1.00 0.50 H new ATOM 0 HD22 LEU A 23 3.585 0.755 -0.877 1.00 0.50 H new ATOM 0 HD23 LEU A 23 2.978 2.412 -1.105 1.00 0.50 H new ATOM 404 N ILE A 24 -0.240 -1.847 -3.508 1.00 0.44 N ATOM 405 CA ILE A 24 -0.831 -3.164 -3.396 1.00 0.46 C ATOM 406 C ILE A 24 0.190 -4.000 -2.650 1.00 0.47 C ATOM 407 O ILE A 24 1.172 -4.459 -3.235 1.00 0.50 O ATOM 408 CB ILE A 24 -1.082 -3.787 -4.782 1.00 0.48 C ATOM 409 CG1 ILE A 24 -1.955 -2.900 -5.668 1.00 0.54 C ATOM 410 CG2 ILE A 24 -1.729 -5.176 -4.637 1.00 0.57 C ATOM 411 CD1 ILE A 24 -3.221 -2.439 -4.952 1.00 1.97 C ATOM 0 H ILE A 24 0.593 -1.822 -4.096 1.00 0.44 H new ATOM 0 HA ILE A 24 -1.794 -3.115 -2.888 1.00 0.46 H new ATOM 0 HB ILE A 24 -0.111 -3.884 -5.267 1.00 0.48 H new ATOM 0 HG12 ILE A 24 -1.381 -2.029 -5.985 1.00 0.54 H new ATOM 0 HG13 ILE A 24 -2.229 -3.447 -6.570 1.00 0.54 H new ATOM 0 HG21 ILE A 24 -1.900 -5.603 -5.625 1.00 0.57 H new ATOM 0 HG22 ILE A 24 -1.066 -5.829 -4.070 1.00 0.57 H new ATOM 0 HG23 ILE A 24 -2.680 -5.081 -4.113 1.00 0.57 H new ATOM 0 HD11 ILE A 24 -3.809 -1.811 -5.621 1.00 1.97 H new ATOM 0 HD12 ILE A 24 -3.810 -3.308 -4.658 1.00 1.97 H new ATOM 0 HD13 ILE A 24 -2.949 -1.868 -4.064 1.00 1.97 H new ATOM 423 N LEU A 25 -0.005 -4.182 -1.350 1.00 0.56 N ATOM 424 CA LEU A 25 0.864 -5.020 -0.559 1.00 0.61 C ATOM 425 C LEU A 25 0.070 -6.213 -0.087 1.00 0.74 C ATOM 426 O LEU A 25 -0.534 -6.138 0.973 1.00 1.26 O ATOM 427 CB LEU A 25 1.401 -4.214 0.618 1.00 0.73 C ATOM 428 CG LEU A 25 2.729 -3.554 0.292 1.00 0.75 C ATOM 429 CD1 LEU A 25 3.082 -2.552 1.381 1.00 0.91 C ATOM 430 CD2 LEU A 25 3.822 -4.599 0.265 1.00 0.74 C ATOM 0 H LEU A 25 -0.767 -3.753 -0.824 1.00 0.56 H new ATOM 0 HA LEU A 25 1.713 -5.369 -1.147 1.00 0.61 H new ATOM 0 HB2 LEU A 25 0.675 -3.451 0.897 1.00 0.73 H new ATOM 0 HB3 LEU A 25 1.523 -4.869 1.481 1.00 0.73 H new ATOM 0 HG LEU A 25 2.644 -3.059 -0.675 1.00 0.75 H new ATOM 0 HD11 LEU A 25 4.035 -2.079 1.145 1.00 0.91 H new ATOM 0 HD12 LEU A 25 2.304 -1.790 1.441 1.00 0.91 H new ATOM 0 HD13 LEU A 25 3.159 -3.067 2.338 1.00 0.91 H new ATOM 0 HD21 LEU A 25 4.774 -4.123 0.031 1.00 0.74 H new ATOM 0 HD22 LEU A 25 3.888 -5.082 1.240 1.00 0.74 H new ATOM 0 HD23 LEU A 25 3.593 -5.346 -0.495 1.00 0.74 H new ATOM 442 N HIS A 26 0.088 -7.290 -0.873 1.00 0.54 N ATOM 443 CA HIS A 26 -0.534 -8.581 -0.579 1.00 0.62 C ATOM 444 C HIS A 26 -1.998 -8.600 -1.042 1.00 0.65 C ATOM 445 O HIS A 26 -2.903 -8.737 -0.227 1.00 1.18 O ATOM 446 CB HIS A 26 -0.399 -8.990 0.905 1.00 0.73 C ATOM 447 CG HIS A 26 0.982 -8.839 1.496 1.00 1.18 C ATOM 448 ND1 HIS A 26 2.069 -9.648 1.247 1.00 1.93 N ATOM 449 CD2 HIS A 26 1.372 -7.890 2.403 1.00 1.46 C ATOM 450 CE1 HIS A 26 3.092 -9.185 1.990 1.00 2.45 C ATOM 451 NE2 HIS A 26 2.714 -8.115 2.704 1.00 2.16 N ATOM 0 H HIS A 26 0.560 -7.285 -1.777 1.00 0.54 H new ATOM 0 HA HIS A 26 0.013 -9.333 -1.148 1.00 0.62 H new ATOM 0 HB2 HIS A 26 -1.095 -8.392 1.494 1.00 0.73 H new ATOM 0 HB3 HIS A 26 -0.707 -10.030 1.007 1.00 0.73 H new ATOM 0 HD2 HIS A 26 0.751 -7.107 2.812 1.00 1.46 H new ATOM 0 HE1 HIS A 26 4.082 -9.617 2.008 1.00 2.45 H new ATOM 0 HE2 HIS A 26 3.295 -7.572 3.343 1.00 2.16 H new ATOM 459 N HIS A 27 -2.236 -8.572 -2.360 1.00 0.64 N ATOM 460 CA HIS A 27 -3.555 -8.489 -3.001 1.00 0.73 C ATOM 461 C HIS A 27 -4.612 -7.656 -2.256 1.00 0.69 C ATOM 462 O HIS A 27 -5.799 -7.968 -2.279 1.00 0.90 O ATOM 463 CB HIS A 27 -4.100 -9.920 -3.166 1.00 0.81 C ATOM 464 CG HIS A 27 -3.118 -10.910 -3.735 1.00 2.06 C ATOM 465 ND1 HIS A 27 -2.645 -12.035 -3.097 1.00 2.55 N ATOM 466 CD2 HIS A 27 -2.546 -10.859 -4.975 1.00 3.79 C ATOM 467 CE1 HIS A 27 -1.807 -12.653 -3.948 1.00 3.79 C ATOM 468 NE2 HIS A 27 -1.719 -11.976 -5.106 1.00 4.65 N ATOM 0 H HIS A 27 -1.477 -8.608 -3.041 1.00 0.64 H new ATOM 0 HA HIS A 27 -3.389 -7.973 -3.947 1.00 0.73 H new ATOM 0 HB2 HIS A 27 -4.435 -10.280 -2.193 1.00 0.81 H new ATOM 0 HB3 HIS A 27 -4.977 -9.887 -3.813 1.00 0.81 H new ATOM 0 HD2 HIS A 27 -2.705 -10.093 -5.719 1.00 3.79 H new ATOM 0 HE1 HIS A 27 -1.277 -13.569 -3.731 1.00 3.79 H new ATOM 0 HE2 HIS A 27 -1.158 -12.229 -5.920 1.00 4.65 H new ATOM 476 N LYS A 28 -4.195 -6.544 -1.661 1.00 0.58 N ATOM 477 CA LYS A 28 -5.040 -5.649 -0.882 1.00 0.53 C ATOM 478 C LYS A 28 -4.577 -4.230 -1.148 1.00 0.43 C ATOM 479 O LYS A 28 -3.529 -4.072 -1.769 1.00 0.50 O ATOM 480 CB LYS A 28 -4.910 -6.007 0.595 1.00 0.59 C ATOM 481 CG LYS A 28 -3.469 -5.854 1.096 1.00 2.69 C ATOM 482 CD LYS A 28 -3.189 -6.772 2.286 1.00 2.78 C ATOM 483 CE LYS A 28 -4.187 -6.534 3.404 1.00 3.11 C ATOM 484 NZ LYS A 28 -3.829 -7.318 4.600 1.00 3.77 N ATOM 0 H LYS A 28 -3.225 -6.231 -1.710 1.00 0.58 H new ATOM 0 HA LYS A 28 -6.089 -5.743 -1.161 1.00 0.53 H new ATOM 0 HB2 LYS A 28 -5.568 -5.367 1.183 1.00 0.59 H new ATOM 0 HB3 LYS A 28 -5.241 -7.034 0.750 1.00 0.59 H new ATOM 0 HG2 LYS A 28 -2.775 -6.083 0.287 1.00 2.69 H new ATOM 0 HG3 LYS A 28 -3.291 -4.818 1.385 1.00 2.69 H new ATOM 0 HD2 LYS A 28 -3.238 -7.813 1.966 1.00 2.78 H new ATOM 0 HD3 LYS A 28 -2.178 -6.598 2.654 1.00 2.78 H new ATOM 0 HE2 LYS A 28 -4.214 -5.473 3.654 1.00 3.11 H new ATOM 0 HE3 LYS A 28 -5.187 -6.809 3.069 1.00 3.11 H new ATOM 0 HZ1 LYS A 28 -4.687 -7.519 5.153 1.00 3.77 H new ATOM 0 HZ2 LYS A 28 -3.387 -8.213 4.309 1.00 3.77 H new ATOM 0 HZ3 LYS A 28 -3.160 -6.775 5.183 1.00 3.77 H new ATOM 498 N VAL A 29 -5.289 -3.201 -0.683 1.00 0.40 N ATOM 499 CA VAL A 29 -4.919 -1.850 -1.015 1.00 0.44 C ATOM 500 C VAL A 29 -4.576 -1.187 0.299 1.00 0.46 C ATOM 501 O VAL A 29 -5.416 -1.120 1.196 1.00 0.48 O ATOM 502 CB VAL A 29 -6.118 -1.197 -1.683 1.00 0.51 C ATOM 503 CG1 VAL A 29 -5.971 0.307 -1.746 1.00 0.85 C ATOM 504 CG2 VAL A 29 -6.394 -1.702 -3.085 1.00 0.64 C ATOM 0 H VAL A 29 -6.111 -3.288 -0.085 1.00 0.40 H new ATOM 0 HA VAL A 29 -4.073 -1.777 -1.698 1.00 0.44 H new ATOM 0 HB VAL A 29 -6.962 -1.475 -1.051 1.00 0.51 H new ATOM 0 HG11 VAL A 29 -6.847 0.738 -2.230 1.00 0.85 H new ATOM 0 HG12 VAL A 29 -5.881 0.706 -0.736 1.00 0.85 H new ATOM 0 HG13 VAL A 29 -5.079 0.562 -2.318 1.00 0.85 H new ATOM 0 HG21 VAL A 29 -7.264 -1.187 -3.492 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -5.528 -1.508 -3.718 1.00 0.64 H new ATOM 0 HG23 VAL A 29 -6.588 -2.774 -3.054 1.00 0.64 H new ATOM 514 N TYR A 30 -3.347 -0.702 0.409 1.00 0.51 N ATOM 515 CA TYR A 30 -2.852 -0.025 1.570 1.00 0.55 C ATOM 516 C TYR A 30 -2.610 1.420 1.151 1.00 0.60 C ATOM 517 O TYR A 30 -1.929 1.675 0.160 1.00 1.08 O ATOM 518 CB TYR A 30 -1.585 -0.771 2.008 1.00 0.57 C ATOM 519 CG TYR A 30 -1.734 -2.031 2.844 1.00 0.56 C ATOM 520 CD1 TYR A 30 -2.922 -2.333 3.522 1.00 1.66 C ATOM 521 CD2 TYR A 30 -0.634 -2.891 2.996 1.00 1.96 C ATOM 522 CE1 TYR A 30 -3.019 -3.484 4.315 1.00 1.76 C ATOM 523 CE2 TYR A 30 -0.744 -4.098 3.706 1.00 1.92 C ATOM 524 CZ TYR A 30 -1.935 -4.376 4.406 1.00 0.72 C ATOM 525 OH TYR A 30 -2.003 -5.432 5.265 1.00 0.94 O ATOM 0 H TYR A 30 -2.656 -0.778 -0.338 1.00 0.51 H new ATOM 0 HA TYR A 30 -3.532 -0.014 2.422 1.00 0.55 H new ATOM 0 HB2 TYR A 30 -1.029 -1.035 1.108 1.00 0.57 H new ATOM 0 HB3 TYR A 30 -0.967 -0.071 2.571 1.00 0.57 H new ATOM 0 HD1 TYR A 30 -3.772 -1.672 3.433 1.00 1.66 H new ATOM 0 HD2 TYR A 30 0.315 -2.619 2.558 1.00 1.96 H new ATOM 0 HE1 TYR A 30 -3.930 -3.687 4.859 1.00 1.76 H new ATOM 0 HE2 TYR A 30 0.073 -4.804 3.715 1.00 1.92 H new ATOM 0 HH TYR A 30 -1.175 -5.953 5.209 1.00 0.94 H new ATOM 535 N ASP A 31 -3.190 2.348 1.910 1.00 0.36 N ATOM 536 CA ASP A 31 -3.031 3.784 1.829 1.00 0.31 C ATOM 537 C ASP A 31 -2.131 4.200 2.966 1.00 0.32 C ATOM 538 O ASP A 31 -2.488 4.058 4.133 1.00 0.52 O ATOM 539 CB ASP A 31 -4.369 4.490 2.022 1.00 0.40 C ATOM 540 CG ASP A 31 -4.171 5.997 2.163 1.00 0.44 C ATOM 541 OD1 ASP A 31 -3.242 6.510 1.500 1.00 1.53 O ATOM 542 OD2 ASP A 31 -4.947 6.631 2.908 1.00 1.80 O ATOM 0 H ASP A 31 -3.834 2.085 2.656 1.00 0.36 H new ATOM 0 HA ASP A 31 -2.624 4.048 0.853 1.00 0.31 H new ATOM 0 HB2 ASP A 31 -5.021 4.282 1.173 1.00 0.40 H new ATOM 0 HB3 ASP A 31 -4.867 4.099 2.910 1.00 0.40 H new ATOM 547 N LEU A 32 -0.959 4.709 2.624 1.00 0.32 N ATOM 548 CA LEU A 32 -0.001 5.153 3.607 1.00 0.46 C ATOM 549 C LEU A 32 0.235 6.643 3.421 1.00 0.43 C ATOM 550 O LEU A 32 1.268 7.141 3.841 1.00 0.55 O ATOM 551 CB LEU A 32 1.288 4.312 3.583 1.00 0.63 C ATOM 552 CG LEU A 32 1.276 3.080 2.677 1.00 0.43 C ATOM 553 CD1 LEU A 32 2.660 2.461 2.675 1.00 0.48 C ATOM 554 CD2 LEU A 32 0.284 2.051 3.199 1.00 0.54 C ATOM 0 H LEU A 32 -0.651 4.823 1.658 1.00 0.32 H new ATOM 0 HA LEU A 32 -0.403 4.999 4.609 1.00 0.46 H new ATOM 0 HB2 LEU A 32 2.111 4.956 3.274 1.00 0.63 H new ATOM 0 HB3 LEU A 32 1.503 3.986 4.601 1.00 0.63 H new ATOM 0 HG LEU A 32 0.986 3.381 1.670 1.00 0.43 H new ATOM 0 HD11 LEU A 32 2.664 1.581 2.032 1.00 0.48 H new ATOM 0 HD12 LEU A 32 3.383 3.187 2.302 1.00 0.48 H new ATOM 0 HD13 LEU A 32 2.930 2.170 3.690 1.00 0.48 H new ATOM 0 HD21 LEU A 32 0.286 1.179 2.545 1.00 0.54 H new ATOM 0 HD22 LEU A 32 0.570 1.749 4.207 1.00 0.54 H new ATOM 0 HD23 LEU A 32 -0.715 2.487 3.220 1.00 0.54 H new ATOM 566 N THR A 33 -0.697 7.390 2.823 1.00 0.36 N ATOM 567 CA THR A 33 -0.536 8.829 2.659 1.00 0.34 C ATOM 568 C THR A 33 -0.152 9.505 3.966 1.00 0.32 C ATOM 569 O THR A 33 0.829 10.240 4.016 1.00 0.37 O ATOM 570 CB THR A 33 -1.815 9.424 2.054 1.00 0.45 C ATOM 571 OG1 THR A 33 -1.492 9.785 0.736 1.00 0.93 O ATOM 572 CG2 THR A 33 -2.327 10.706 2.695 1.00 0.79 C ATOM 0 H THR A 33 -1.569 7.018 2.446 1.00 0.36 H new ATOM 0 HA THR A 33 0.288 9.014 1.970 1.00 0.34 H new ATOM 0 HB THR A 33 -2.588 8.667 2.185 1.00 0.45 H new ATOM 0 HG1 THR A 33 -1.020 10.644 0.738 1.00 0.93 H new ATOM 0 HG21 THR A 33 -3.233 11.031 2.184 1.00 0.79 H new ATOM 0 HG22 THR A 33 -2.548 10.524 3.747 1.00 0.79 H new ATOM 0 HG23 THR A 33 -1.566 11.482 2.614 1.00 0.79 H new ATOM 580 N LYS A 34 -0.904 9.258 5.039 1.00 0.39 N ATOM 581 CA LYS A 34 -0.653 9.959 6.290 1.00 0.43 C ATOM 582 C LYS A 34 0.467 9.279 7.081 1.00 0.41 C ATOM 583 O LYS A 34 0.819 9.739 8.164 1.00 0.49 O ATOM 584 CB LYS A 34 -1.977 10.096 7.059 1.00 0.58 C ATOM 585 CG LYS A 34 -1.989 11.339 7.963 1.00 1.27 C ATOM 586 CD LYS A 34 -1.700 11.010 9.436 1.00 1.18 C ATOM 587 CE LYS A 34 -0.578 11.865 10.041 1.00 2.33 C ATOM 588 NZ LYS A 34 -1.083 13.051 10.768 1.00 2.85 N ATOM 0 H LYS A 34 -1.676 8.591 5.065 1.00 0.39 H new ATOM 0 HA LYS A 34 -0.289 10.969 6.100 1.00 0.43 H new ATOM 0 HB2 LYS A 34 -2.804 10.154 6.351 1.00 0.58 H new ATOM 0 HB3 LYS A 34 -2.139 9.205 7.665 1.00 0.58 H new ATOM 0 HG2 LYS A 34 -1.247 12.051 7.603 1.00 1.27 H new ATOM 0 HG3 LYS A 34 -2.961 11.827 7.889 1.00 1.27 H new ATOM 0 HD2 LYS A 34 -2.610 11.153 10.018 1.00 1.18 H new ATOM 0 HD3 LYS A 34 -1.430 9.957 9.520 1.00 1.18 H new ATOM 0 HE2 LYS A 34 0.011 11.252 10.723 1.00 2.33 H new ATOM 0 HE3 LYS A 34 0.092 12.191 9.245 1.00 2.33 H new ATOM 0 HZ1 LYS A 34 -0.281 13.589 11.154 1.00 2.85 H new ATOM 0 HZ2 LYS A 34 -1.623 13.654 10.115 1.00 2.85 H new ATOM 0 HZ3 LYS A 34 -1.701 12.744 11.546 1.00 2.85 H new ATOM 602 N PHE A 35 1.021 8.195 6.530 1.00 0.36 N ATOM 603 CA PHE A 35 2.109 7.403 7.067 1.00 0.34 C ATOM 604 C PHE A 35 3.413 7.653 6.324 1.00 0.32 C ATOM 605 O PHE A 35 4.462 7.244 6.792 1.00 0.35 O ATOM 606 CB PHE A 35 1.762 5.935 6.877 1.00 0.34 C ATOM 607 CG PHE A 35 2.819 4.973 7.376 1.00 0.28 C ATOM 608 CD1 PHE A 35 3.110 4.908 8.748 1.00 1.34 C ATOM 609 CD2 PHE A 35 3.535 4.162 6.474 1.00 1.44 C ATOM 610 CE1 PHE A 35 4.062 3.997 9.227 1.00 1.28 C ATOM 611 CE2 PHE A 35 4.453 3.217 6.954 1.00 1.53 C ATOM 612 CZ PHE A 35 4.708 3.128 8.334 1.00 0.44 C ATOM 0 H PHE A 35 0.692 7.831 5.636 1.00 0.36 H new ATOM 0 HA PHE A 35 2.239 7.674 8.115 1.00 0.34 H new ATOM 0 HB2 PHE A 35 0.825 5.726 7.393 1.00 0.34 H new ATOM 0 HB3 PHE A 35 1.590 5.749 5.817 1.00 0.34 H new ATOM 0 HD1 PHE A 35 2.598 5.563 9.438 1.00 1.34 H new ATOM 0 HD2 PHE A 35 3.377 4.268 5.411 1.00 1.44 H new ATOM 0 HE1 PHE A 35 4.298 3.964 10.280 1.00 1.28 H new ATOM 0 HE2 PHE A 35 4.963 2.559 6.266 1.00 1.53 H new ATOM 0 HZ PHE A 35 5.402 2.390 8.707 1.00 0.44 H new ATOM 622 N LEU A 36 3.371 8.294 5.161 1.00 0.28 N ATOM 623 CA LEU A 36 4.561 8.629 4.390 1.00 0.32 C ATOM 624 C LEU A 36 5.557 9.339 5.297 1.00 0.39 C ATOM 625 O LEU A 36 6.648 8.827 5.522 1.00 0.45 O ATOM 626 CB LEU A 36 4.126 9.543 3.219 1.00 0.34 C ATOM 627 CG LEU A 36 3.552 8.848 1.981 1.00 0.47 C ATOM 628 CD1 LEU A 36 3.354 9.873 0.856 1.00 0.98 C ATOM 629 CD2 LEU A 36 4.464 7.710 1.537 1.00 0.66 C ATOM 0 H LEU A 36 2.501 8.598 4.724 1.00 0.28 H new ATOM 0 HA LEU A 36 5.041 7.735 3.992 1.00 0.32 H new ATOM 0 HB2 LEU A 36 3.379 10.243 3.593 1.00 0.34 H new ATOM 0 HB3 LEU A 36 4.989 10.133 2.909 1.00 0.34 H new ATOM 0 HG LEU A 36 2.582 8.417 2.229 1.00 0.47 H new ATOM 0 HD11 LEU A 36 2.945 9.374 -0.023 1.00 0.98 H new ATOM 0 HD12 LEU A 36 2.663 10.648 1.187 1.00 0.98 H new ATOM 0 HD13 LEU A 36 4.313 10.326 0.603 1.00 0.98 H new ATOM 0 HD21 LEU A 36 4.041 7.227 0.656 1.00 0.66 H new ATOM 0 HD22 LEU A 36 5.450 8.107 1.295 1.00 0.66 H new ATOM 0 HD23 LEU A 36 4.554 6.981 2.342 1.00 0.66 H new ATOM 641 N GLU A 37 5.156 10.457 5.902 1.00 0.54 N ATOM 642 CA GLU A 37 6.001 11.203 6.835 1.00 0.68 C ATOM 643 C GLU A 37 6.060 10.556 8.230 1.00 0.65 C ATOM 644 O GLU A 37 6.305 11.228 9.228 1.00 1.03 O ATOM 645 CB GLU A 37 5.542 12.666 6.892 1.00 0.84 C ATOM 646 CG GLU A 37 5.769 13.348 5.537 1.00 1.20 C ATOM 647 CD GLU A 37 5.699 14.872 5.664 1.00 1.77 C ATOM 648 OE1 GLU A 37 6.655 15.446 6.229 1.00 2.48 O ATOM 649 OE2 GLU A 37 4.686 15.442 5.200 1.00 2.88 O ATOM 0 H GLU A 37 4.235 10.872 5.759 1.00 0.54 H new ATOM 0 HA GLU A 37 7.025 11.175 6.461 1.00 0.68 H new ATOM 0 HB2 GLU A 37 4.486 12.713 7.158 1.00 0.84 H new ATOM 0 HB3 GLU A 37 6.091 13.196 7.670 1.00 0.84 H new ATOM 0 HG2 GLU A 37 6.742 13.058 5.140 1.00 1.20 H new ATOM 0 HG3 GLU A 37 5.019 13.005 4.824 1.00 1.20 H new ATOM 656 N GLU A 38 5.816 9.250 8.316 1.00 0.51 N ATOM 657 CA GLU A 38 5.796 8.467 9.540 1.00 0.58 C ATOM 658 C GLU A 38 6.626 7.181 9.439 1.00 0.62 C ATOM 659 O GLU A 38 7.181 6.735 10.441 1.00 1.10 O ATOM 660 CB GLU A 38 4.324 8.168 9.858 1.00 0.75 C ATOM 661 CG GLU A 38 3.922 8.464 11.302 1.00 1.24 C ATOM 662 CD GLU A 38 3.736 7.203 12.152 1.00 2.18 C ATOM 663 OE1 GLU A 38 4.629 6.331 12.121 1.00 3.70 O ATOM 664 OE2 GLU A 38 2.676 7.120 12.813 1.00 2.24 O ATOM 0 H GLU A 38 5.618 8.685 7.490 1.00 0.51 H new ATOM 0 HA GLU A 38 6.260 9.035 10.346 1.00 0.58 H new ATOM 0 HB2 GLU A 38 3.693 8.754 9.190 1.00 0.75 H new ATOM 0 HB3 GLU A 38 4.124 7.118 9.645 1.00 0.75 H new ATOM 0 HG2 GLU A 38 4.684 9.094 11.762 1.00 1.24 H new ATOM 0 HG3 GLU A 38 2.993 9.034 11.303 1.00 1.24 H new ATOM 671 N HIS A 39 6.768 6.614 8.236 1.00 0.43 N ATOM 672 CA HIS A 39 7.443 5.355 7.985 1.00 0.45 C ATOM 673 C HIS A 39 8.867 5.462 8.498 1.00 0.48 C ATOM 674 O HIS A 39 9.588 6.357 8.061 1.00 0.77 O ATOM 675 CB HIS A 39 7.408 5.011 6.497 1.00 0.52 C ATOM 676 CG HIS A 39 8.078 3.704 6.116 1.00 0.40 C ATOM 677 ND1 HIS A 39 9.071 3.583 5.183 1.00 0.63 N ATOM 678 CD2 HIS A 39 7.751 2.435 6.518 1.00 0.41 C ATOM 679 CE1 HIS A 39 9.346 2.289 5.006 1.00 0.67 C ATOM 680 NE2 HIS A 39 8.549 1.545 5.785 1.00 0.41 N ATOM 0 H HIS A 39 6.400 7.042 7.386 1.00 0.43 H new ATOM 0 HA HIS A 39 6.933 4.547 8.509 1.00 0.45 H new ATOM 0 HB2 HIS A 39 6.368 4.974 6.174 1.00 0.52 H new ATOM 0 HB3 HIS A 39 7.885 5.819 5.943 1.00 0.52 H new ATOM 0 HD1 HIS A 39 9.528 4.357 4.700 1.00 0.63 H new ATOM 0 HD2 HIS A 39 7.015 2.170 7.262 1.00 0.41 H new ATOM 0 HE1 HIS A 39 10.098 1.900 4.336 1.00 0.67 H new ATOM 688 N PRO A 40 9.259 4.599 9.445 1.00 0.51 N ATOM 689 CA PRO A 40 10.562 4.650 10.072 1.00 0.52 C ATOM 690 C PRO A 40 11.617 4.194 9.061 1.00 0.93 C ATOM 691 O PRO A 40 12.004 3.031 9.013 1.00 1.82 O ATOM 692 CB PRO A 40 10.455 3.769 11.320 1.00 0.79 C ATOM 693 CG PRO A 40 9.289 2.827 11.031 1.00 1.15 C ATOM 694 CD PRO A 40 8.431 3.546 10.004 1.00 0.96 C ATOM 0 HA PRO A 40 10.871 5.649 10.379 1.00 0.52 H new ATOM 0 HB2 PRO A 40 11.378 3.215 11.494 1.00 0.79 H new ATOM 0 HB3 PRO A 40 10.269 4.367 12.212 1.00 0.79 H new ATOM 0 HG2 PRO A 40 9.643 1.871 10.646 1.00 1.15 H new ATOM 0 HG3 PRO A 40 8.722 2.615 11.937 1.00 1.15 H new ATOM 0 HD2 PRO A 40 8.098 2.859 9.226 1.00 0.96 H new ATOM 0 HD3 PRO A 40 7.536 3.960 10.467 1.00 0.96 H new ATOM 702 N GLY A 41 12.052 5.121 8.209 1.00 0.63 N ATOM 703 CA GLY A 41 12.974 4.842 7.129 1.00 0.96 C ATOM 704 C GLY A 41 12.825 5.888 6.031 1.00 0.73 C ATOM 705 O GLY A 41 13.679 6.760 5.907 1.00 1.08 O ATOM 0 H GLY A 41 11.765 6.099 8.257 1.00 0.63 H new ATOM 0 HA2 GLY A 41 13.997 4.841 7.505 1.00 0.96 H new ATOM 0 HA3 GLY A 41 12.782 3.848 6.724 1.00 0.96 H new ATOM 709 N GLY A 42 11.774 5.795 5.210 1.00 0.65 N ATOM 710 CA GLY A 42 11.552 6.773 4.147 1.00 0.99 C ATOM 711 C GLY A 42 10.106 6.840 3.652 1.00 0.62 C ATOM 712 O GLY A 42 9.457 5.821 3.475 1.00 1.06 O ATOM 0 H GLY A 42 11.071 5.058 5.262 1.00 0.65 H new ATOM 0 HA2 GLY A 42 11.847 7.758 4.507 1.00 0.99 H new ATOM 0 HA3 GLY A 42 12.202 6.533 3.306 1.00 0.99 H new ATOM 716 N GLU A 43 9.618 8.022 3.321 1.00 1.00 N ATOM 717 CA GLU A 43 8.389 8.236 2.570 1.00 0.68 C ATOM 718 C GLU A 43 8.513 7.848 1.086 1.00 0.53 C ATOM 719 O GLU A 43 7.582 7.300 0.499 1.00 0.45 O ATOM 720 CB GLU A 43 7.944 9.707 2.707 1.00 0.85 C ATOM 721 CG GLU A 43 8.843 10.793 2.098 1.00 1.21 C ATOM 722 CD GLU A 43 10.164 10.902 2.852 1.00 2.01 C ATOM 723 OE1 GLU A 43 10.140 11.393 4.000 1.00 3.25 O ATOM 724 OE2 GLU A 43 11.154 10.349 2.326 1.00 3.08 O ATOM 0 H GLU A 43 10.083 8.893 3.576 1.00 1.00 H new ATOM 0 HA GLU A 43 7.633 7.577 2.998 1.00 0.68 H new ATOM 0 HB2 GLU A 43 6.956 9.800 2.256 1.00 0.85 H new ATOM 0 HB3 GLU A 43 7.831 9.924 3.769 1.00 0.85 H new ATOM 0 HG2 GLU A 43 9.037 10.563 1.050 1.00 1.21 H new ATOM 0 HG3 GLU A 43 8.327 11.753 2.123 1.00 1.21 H new ATOM 731 N GLU A 44 9.647 8.139 0.450 1.00 0.60 N ATOM 732 CA GLU A 44 9.712 8.081 -1.028 1.00 0.60 C ATOM 733 C GLU A 44 9.671 6.641 -1.502 1.00 0.56 C ATOM 734 O GLU A 44 9.046 6.337 -2.511 1.00 0.52 O ATOM 735 CB GLU A 44 10.954 8.759 -1.627 1.00 0.73 C ATOM 736 CG GLU A 44 11.004 8.712 -3.178 1.00 1.37 C ATOM 737 CD GLU A 44 9.911 9.542 -3.874 1.00 3.11 C ATOM 738 OE1 GLU A 44 9.826 10.749 -3.558 1.00 4.12 O ATOM 739 OE2 GLU A 44 9.175 8.991 -4.728 1.00 4.28 O ATOM 0 H GLU A 44 10.516 8.411 0.910 1.00 0.60 H new ATOM 0 HA GLU A 44 8.841 8.635 -1.378 1.00 0.60 H new ATOM 0 HB2 GLU A 44 10.981 9.799 -1.303 1.00 0.73 H new ATOM 0 HB3 GLU A 44 11.847 8.278 -1.229 1.00 0.73 H new ATOM 0 HG2 GLU A 44 11.980 9.068 -3.509 1.00 1.37 H new ATOM 0 HG3 GLU A 44 10.917 7.675 -3.501 1.00 1.37 H new ATOM 746 N VAL A 45 10.287 5.729 -0.753 1.00 0.60 N ATOM 747 CA VAL A 45 10.225 4.309 -1.053 1.00 0.64 C ATOM 748 C VAL A 45 8.770 3.860 -1.177 1.00 0.56 C ATOM 749 O VAL A 45 8.428 3.051 -2.035 1.00 0.62 O ATOM 750 CB VAL A 45 10.971 3.531 0.040 1.00 0.78 C ATOM 751 CG1 VAL A 45 12.475 3.591 -0.229 1.00 1.22 C ATOM 752 CG2 VAL A 45 10.692 4.071 1.448 1.00 1.21 C ATOM 0 H VAL A 45 10.839 5.957 0.074 1.00 0.60 H new ATOM 0 HA VAL A 45 10.709 4.107 -2.009 1.00 0.64 H new ATOM 0 HB VAL A 45 10.610 2.503 0.005 1.00 0.78 H new ATOM 0 HG11 VAL A 45 13.006 3.039 0.547 1.00 1.22 H new ATOM 0 HG12 VAL A 45 12.689 3.147 -1.201 1.00 1.22 H new ATOM 0 HG13 VAL A 45 12.804 4.630 -0.224 1.00 1.22 H new ATOM 0 HG21 VAL A 45 11.246 3.483 2.180 1.00 1.21 H new ATOM 0 HG22 VAL A 45 11.007 5.113 1.507 1.00 1.21 H new ATOM 0 HG23 VAL A 45 9.625 4.002 1.659 1.00 1.21 H new ATOM 762 N LEU A 46 7.875 4.434 -0.375 1.00 0.50 N ATOM 763 CA LEU A 46 6.484 4.030 -0.410 1.00 0.51 C ATOM 764 C LEU A 46 5.852 4.525 -1.706 1.00 0.50 C ATOM 765 O LEU A 46 4.933 3.904 -2.235 1.00 0.57 O ATOM 766 CB LEU A 46 5.767 4.597 0.816 1.00 0.51 C ATOM 767 CG LEU A 46 6.427 4.242 2.159 1.00 0.51 C ATOM 768 CD1 LEU A 46 5.385 4.203 3.274 1.00 0.63 C ATOM 769 CD2 LEU A 46 7.149 2.895 2.153 1.00 0.54 C ATOM 0 H LEU A 46 8.091 5.171 0.297 1.00 0.50 H new ATOM 0 HA LEU A 46 6.399 2.944 -0.383 1.00 0.51 H new ATOM 0 HB2 LEU A 46 5.719 5.682 0.724 1.00 0.51 H new ATOM 0 HB3 LEU A 46 4.740 4.232 0.822 1.00 0.51 H new ATOM 0 HG LEU A 46 7.167 5.024 2.329 1.00 0.51 H new ATOM 0 HD11 LEU A 46 5.870 3.950 4.217 1.00 0.63 H new ATOM 0 HD12 LEU A 46 4.909 5.180 3.361 1.00 0.63 H new ATOM 0 HD13 LEU A 46 4.631 3.451 3.041 1.00 0.63 H new ATOM 0 HD21 LEU A 46 7.589 2.714 3.134 1.00 0.54 H new ATOM 0 HD22 LEU A 46 6.438 2.102 1.922 1.00 0.54 H new ATOM 0 HD23 LEU A 46 7.936 2.907 1.399 1.00 0.54 H new ATOM 781 N ARG A 47 6.378 5.622 -2.253 1.00 0.47 N ATOM 782 CA ARG A 47 5.961 6.118 -3.545 1.00 0.48 C ATOM 783 C ARG A 47 6.675 5.411 -4.703 1.00 0.55 C ATOM 784 O ARG A 47 6.135 5.400 -5.806 1.00 0.59 O ATOM 785 CB ARG A 47 6.191 7.628 -3.597 1.00 0.51 C ATOM 786 CG ARG A 47 5.153 8.258 -4.524 1.00 0.89 C ATOM 787 CD ARG A 47 5.554 9.687 -4.895 1.00 1.13 C ATOM 788 NE ARG A 47 4.898 10.082 -6.149 1.00 2.21 N ATOM 789 CZ ARG A 47 5.257 9.617 -7.352 1.00 3.24 C ATOM 790 NH1 ARG A 47 6.340 8.846 -7.477 1.00 3.74 N ATOM 791 NH2 ARG A 47 4.516 9.914 -8.422 1.00 4.47 N ATOM 0 H ARG A 47 7.103 6.183 -1.806 1.00 0.47 H new ATOM 0 HA ARG A 47 4.900 5.902 -3.668 1.00 0.48 H new ATOM 0 HB2 ARG A 47 6.112 8.055 -2.597 1.00 0.51 H new ATOM 0 HB3 ARG A 47 7.197 7.843 -3.957 1.00 0.51 H new ATOM 0 HG2 ARG A 47 5.053 7.657 -5.428 1.00 0.89 H new ATOM 0 HG3 ARG A 47 4.178 8.264 -4.036 1.00 0.89 H new ATOM 0 HD2 ARG A 47 5.272 10.372 -4.096 1.00 1.13 H new ATOM 0 HD3 ARG A 47 6.636 9.753 -5.004 1.00 1.13 H new ATOM 0 HE ARG A 47 4.126 10.747 -6.100 1.00 2.21 H new ATOM 0 HH11 ARG A 47 6.896 8.610 -6.655 1.00 3.74 H new ATOM 0 HH12 ARG A 47 6.612 8.493 -8.395 1.00 3.74 H new ATOM 0 HH21 ARG A 47 3.682 10.492 -8.320 1.00 4.47 H new ATOM 0 HH22 ARG A 47 4.784 9.563 -9.341 1.00 4.47 H new ATOM 805 N GLU A 48 7.825 4.762 -4.491 1.00 0.59 N ATOM 806 CA GLU A 48 8.521 4.024 -5.540 1.00 0.68 C ATOM 807 C GLU A 48 7.706 2.817 -5.994 1.00 0.63 C ATOM 808 O GLU A 48 7.918 2.296 -7.083 1.00 0.78 O ATOM 809 CB GLU A 48 9.896 3.551 -5.039 1.00 0.75 C ATOM 810 CG GLU A 48 11.004 4.588 -5.265 1.00 1.17 C ATOM 811 CD GLU A 48 12.292 3.920 -5.756 1.00 1.64 C ATOM 812 OE1 GLU A 48 12.323 3.553 -6.952 1.00 1.62 O ATOM 813 OE2 GLU A 48 13.224 3.781 -4.934 1.00 3.08 O ATOM 0 H GLU A 48 8.296 4.736 -3.587 1.00 0.59 H new ATOM 0 HA GLU A 48 8.654 4.697 -6.387 1.00 0.68 H new ATOM 0 HB2 GLU A 48 9.830 3.323 -3.975 1.00 0.75 H new ATOM 0 HB3 GLU A 48 10.163 2.625 -5.548 1.00 0.75 H new ATOM 0 HG2 GLU A 48 10.672 5.326 -5.995 1.00 1.17 H new ATOM 0 HG3 GLU A 48 11.200 5.124 -4.336 1.00 1.17 H new ATOM 820 N GLN A 49 6.754 2.385 -5.169 1.00 0.48 N ATOM 821 CA GLN A 49 5.893 1.247 -5.441 1.00 0.47 C ATOM 822 C GLN A 49 4.429 1.646 -5.283 1.00 0.48 C ATOM 823 O GLN A 49 3.545 0.795 -5.168 1.00 0.53 O ATOM 824 CB GLN A 49 6.241 0.152 -4.451 1.00 0.49 C ATOM 825 CG GLN A 49 7.683 -0.348 -4.583 1.00 0.52 C ATOM 826 CD GLN A 49 7.846 -1.310 -5.757 1.00 0.89 C ATOM 827 OE1 GLN A 49 6.970 -1.440 -6.603 1.00 1.57 O ATOM 828 NE2 GLN A 49 8.958 -2.026 -5.818 1.00 1.12 N ATOM 0 H GLN A 49 6.559 2.831 -4.272 1.00 0.48 H new ATOM 0 HA GLN A 49 6.042 0.897 -6.463 1.00 0.47 H new ATOM 0 HB2 GLN A 49 6.084 0.524 -3.438 1.00 0.49 H new ATOM 0 HB3 GLN A 49 5.559 -0.686 -4.592 1.00 0.49 H new ATOM 0 HG2 GLN A 49 8.352 0.503 -4.715 1.00 0.52 H new ATOM 0 HG3 GLN A 49 7.980 -0.847 -3.661 1.00 0.52 H new ATOM 0 HE21 GLN A 49 9.680 -1.908 -5.107 1.00 1.12 H new ATOM 0 HE22 GLN A 49 9.093 -2.695 -6.576 1.00 1.12 H new ATOM 837 N ALA A 50 4.175 2.953 -5.233 1.00 0.46 N ATOM 838 CA ALA A 50 2.823 3.476 -5.222 1.00 0.46 C ATOM 839 C ALA A 50 2.026 2.849 -6.361 1.00 0.54 C ATOM 840 O ALA A 50 2.583 2.534 -7.412 1.00 0.77 O ATOM 841 CB ALA A 50 2.816 4.999 -5.333 1.00 0.54 C ATOM 0 H ALA A 50 4.900 3.669 -5.199 1.00 0.46 H new ATOM 0 HA ALA A 50 2.357 3.217 -4.271 1.00 0.46 H new ATOM 0 HB1 ALA A 50 1.788 5.360 -5.322 1.00 0.54 H new ATOM 0 HB2 ALA A 50 3.360 5.428 -4.491 1.00 0.54 H new ATOM 0 HB3 ALA A 50 3.295 5.298 -6.265 1.00 0.54 H new ATOM 847 N GLY A 51 0.728 2.648 -6.118 1.00 0.48 N ATOM 848 CA GLY A 51 -0.225 2.021 -7.016 1.00 0.54 C ATOM 849 C GLY A 51 0.309 0.747 -7.678 1.00 0.56 C ATOM 850 O GLY A 51 -0.184 0.366 -8.738 1.00 0.60 O ATOM 0 H GLY A 51 0.298 2.937 -5.239 1.00 0.48 H new ATOM 0 HA2 GLY A 51 -1.132 1.780 -6.461 1.00 0.54 H new ATOM 0 HA3 GLY A 51 -0.506 2.734 -7.791 1.00 0.54 H new ATOM 854 N GLY A 52 1.300 0.090 -7.065 1.00 0.57 N ATOM 855 CA GLY A 52 2.074 -0.988 -7.638 1.00 0.61 C ATOM 856 C GLY A 52 2.365 -2.014 -6.553 1.00 0.62 C ATOM 857 O GLY A 52 1.958 -1.860 -5.403 1.00 0.63 O ATOM 0 H GLY A 52 1.588 0.315 -6.113 1.00 0.57 H new ATOM 0 HA2 GLY A 52 1.526 -1.451 -8.458 1.00 0.61 H new ATOM 0 HA3 GLY A 52 3.006 -0.604 -8.054 1.00 0.61 H new ATOM 861 N ASP A 53 3.026 -3.101 -6.924 1.00 0.66 N ATOM 862 CA ASP A 53 3.207 -4.270 -6.102 1.00 0.63 C ATOM 863 C ASP A 53 4.487 -4.131 -5.287 1.00 0.68 C ATOM 864 O ASP A 53 5.553 -4.623 -5.646 1.00 0.91 O ATOM 865 CB ASP A 53 3.170 -5.549 -6.961 1.00 0.58 C ATOM 866 CG ASP A 53 3.301 -5.388 -8.482 1.00 2.15 C ATOM 867 OD1 ASP A 53 4.215 -4.659 -8.926 1.00 3.69 O ATOM 868 OD2 ASP A 53 2.431 -5.949 -9.185 1.00 2.82 O ATOM 0 H ASP A 53 3.464 -3.188 -7.841 1.00 0.66 H new ATOM 0 HA ASP A 53 2.383 -4.357 -5.394 1.00 0.63 H new ATOM 0 HB2 ASP A 53 3.972 -6.204 -6.622 1.00 0.58 H new ATOM 0 HB3 ASP A 53 2.231 -6.063 -6.757 1.00 0.58 H new ATOM 873 N ALA A 54 4.378 -3.481 -4.129 1.00 0.63 N ATOM 874 CA ALA A 54 5.551 -3.237 -3.309 1.00 0.65 C ATOM 875 C ALA A 54 5.929 -4.484 -2.521 1.00 0.72 C ATOM 876 O ALA A 54 6.931 -4.476 -1.808 1.00 0.77 O ATOM 877 CB ALA A 54 5.310 -2.068 -2.354 1.00 0.67 C ATOM 0 H ALA A 54 3.503 -3.122 -3.747 1.00 0.63 H new ATOM 0 HA ALA A 54 6.376 -2.981 -3.973 1.00 0.65 H new ATOM 0 HB1 ALA A 54 6.202 -1.903 -1.749 1.00 0.67 H new ATOM 0 HB2 ALA A 54 5.089 -1.168 -2.929 1.00 0.67 H new ATOM 0 HB3 ALA A 54 4.467 -2.298 -1.702 1.00 0.67 H new ATOM 883 N THR A 55 5.116 -5.540 -2.606 1.00 0.72 N ATOM 884 CA THR A 55 5.290 -6.762 -1.870 1.00 0.77 C ATOM 885 C THR A 55 6.672 -7.353 -2.086 1.00 0.78 C ATOM 886 O THR A 55 7.220 -7.911 -1.146 1.00 0.81 O ATOM 887 CB THR A 55 4.187 -7.716 -2.331 1.00 0.81 C ATOM 888 OG1 THR A 55 2.919 -7.147 -2.094 1.00 1.05 O ATOM 889 CG2 THR A 55 4.218 -8.999 -1.536 1.00 1.00 C ATOM 0 H THR A 55 4.296 -5.553 -3.213 1.00 0.72 H new ATOM 0 HA THR A 55 5.214 -6.580 -0.798 1.00 0.77 H new ATOM 0 HB THR A 55 4.355 -7.905 -3.391 1.00 0.81 H new ATOM 0 HG1 THR A 55 2.327 -7.341 -2.850 1.00 1.05 H new ATOM 0 HG21 THR A 55 3.424 -9.661 -1.882 1.00 1.00 H new ATOM 0 HG22 THR A 55 5.183 -9.488 -1.671 1.00 1.00 H new ATOM 0 HG23 THR A 55 4.069 -8.776 -0.479 1.00 1.00 H new ATOM 897 N GLU A 56 7.251 -7.205 -3.280 1.00 0.80 N ATOM 898 CA GLU A 56 8.609 -7.669 -3.518 1.00 0.84 C ATOM 899 C GLU A 56 9.574 -7.010 -2.529 1.00 0.79 C ATOM 900 O GLU A 56 10.337 -7.707 -1.876 1.00 0.85 O ATOM 901 CB GLU A 56 9.022 -7.380 -4.966 1.00 0.92 C ATOM 902 CG GLU A 56 8.343 -8.342 -5.956 1.00 1.55 C ATOM 903 CD GLU A 56 9.352 -9.044 -6.872 1.00 2.32 C ATOM 904 OE1 GLU A 56 10.142 -8.324 -7.522 1.00 2.91 O ATOM 905 OE2 GLU A 56 9.304 -10.294 -6.925 1.00 3.24 O ATOM 0 H GLU A 56 6.801 -6.771 -4.086 1.00 0.80 H new ATOM 0 HA GLU A 56 8.648 -8.747 -3.363 1.00 0.84 H new ATOM 0 HB2 GLU A 56 8.761 -6.353 -5.220 1.00 0.92 H new ATOM 0 HB3 GLU A 56 10.105 -7.466 -5.059 1.00 0.92 H new ATOM 0 HG2 GLU A 56 7.777 -9.091 -5.401 1.00 1.55 H new ATOM 0 HG3 GLU A 56 7.628 -7.788 -6.564 1.00 1.55 H new ATOM 912 N ASN A 57 9.520 -5.685 -2.364 1.00 0.86 N ATOM 913 CA ASN A 57 10.392 -4.983 -1.424 1.00 0.85 C ATOM 914 C ASN A 57 10.059 -5.393 -0.002 1.00 0.78 C ATOM 915 O ASN A 57 10.921 -5.845 0.750 1.00 0.77 O ATOM 916 CB ASN A 57 10.211 -3.467 -1.544 1.00 0.91 C ATOM 917 CG ASN A 57 11.126 -2.885 -2.602 1.00 1.09 C ATOM 918 OD1 ASN A 57 10.768 -2.813 -3.767 1.00 1.97 O ATOM 919 ND2 ASN A 57 12.317 -2.451 -2.218 1.00 1.98 N ATOM 0 H ASN A 57 8.878 -5.077 -2.873 1.00 0.86 H new ATOM 0 HA ASN A 57 11.422 -5.247 -1.662 1.00 0.85 H new ATOM 0 HB2 ASN A 57 9.174 -3.241 -1.793 1.00 0.91 H new ATOM 0 HB3 ASN A 57 10.418 -2.997 -0.583 1.00 0.91 H new ATOM 0 HD21 ASN A 57 12.957 -2.046 -2.901 1.00 1.98 H new ATOM 0 HD22 ASN A 57 12.594 -2.522 -1.239 1.00 1.98 H new ATOM 926 N PHE A 58 8.796 -5.186 0.364 1.00 0.77 N ATOM 927 CA PHE A 58 8.267 -5.656 1.660 1.00 0.67 C ATOM 928 C PHE A 58 8.807 -7.033 2.111 1.00 0.66 C ATOM 929 O PHE A 58 9.145 -7.172 3.285 1.00 0.57 O ATOM 930 CB PHE A 58 6.734 -5.665 1.640 1.00 0.79 C ATOM 931 CG PHE A 58 6.062 -5.552 3.001 1.00 0.78 C ATOM 932 CD1 PHE A 58 5.990 -4.301 3.642 1.00 2.37 C ATOM 933 CD2 PHE A 58 5.458 -6.670 3.608 1.00 1.82 C ATOM 934 CE1 PHE A 58 5.352 -4.172 4.890 1.00 2.66 C ATOM 935 CE2 PHE A 58 4.799 -6.538 4.845 1.00 1.75 C ATOM 936 CZ PHE A 58 4.755 -5.291 5.493 1.00 1.34 C ATOM 0 H PHE A 58 8.113 -4.696 -0.213 1.00 0.77 H new ATOM 0 HA PHE A 58 8.628 -4.942 2.400 1.00 0.67 H new ATOM 0 HB2 PHE A 58 6.391 -4.841 1.015 1.00 0.79 H new ATOM 0 HB3 PHE A 58 6.399 -6.587 1.164 1.00 0.79 H new ATOM 0 HD1 PHE A 58 6.428 -3.433 3.172 1.00 2.37 H new ATOM 0 HD2 PHE A 58 5.501 -7.634 3.122 1.00 1.82 H new ATOM 0 HE1 PHE A 58 5.322 -3.212 5.384 1.00 2.66 H new ATOM 0 HE2 PHE A 58 4.326 -7.397 5.297 1.00 1.75 H new ATOM 0 HZ PHE A 58 4.264 -5.194 6.450 1.00 1.34 H new ATOM 946 N GLU A 59 8.909 -8.029 1.219 1.00 0.80 N ATOM 947 CA GLU A 59 9.411 -9.376 1.526 1.00 0.86 C ATOM 948 C GLU A 59 10.938 -9.436 1.489 1.00 0.86 C ATOM 949 O GLU A 59 11.539 -10.118 2.313 1.00 0.90 O ATOM 950 CB GLU A 59 8.860 -10.393 0.509 1.00 1.03 C ATOM 951 CG GLU A 59 7.718 -11.234 1.085 1.00 1.29 C ATOM 952 CD GLU A 59 8.237 -12.352 1.993 1.00 1.53 C ATOM 953 OE1 GLU A 59 8.492 -13.455 1.460 1.00 2.30 O ATOM 954 OE2 GLU A 59 8.338 -12.097 3.213 1.00 2.12 O ATOM 0 H GLU A 59 8.639 -7.918 0.242 1.00 0.80 H new ATOM 0 HA GLU A 59 9.073 -9.620 2.533 1.00 0.86 H new ATOM 0 HB2 GLU A 59 8.507 -9.863 -0.376 1.00 1.03 H new ATOM 0 HB3 GLU A 59 9.666 -11.052 0.185 1.00 1.03 H new ATOM 0 HG2 GLU A 59 7.042 -10.591 1.650 1.00 1.29 H new ATOM 0 HG3 GLU A 59 7.139 -11.667 0.270 1.00 1.29 H new ATOM 961 N ASP A 60 11.573 -8.715 0.560 1.00 0.88 N ATOM 962 CA ASP A 60 13.029 -8.676 0.398 1.00 0.95 C ATOM 963 C ASP A 60 13.674 -8.300 1.727 1.00 0.88 C ATOM 964 O ASP A 60 14.727 -8.818 2.093 1.00 1.02 O ATOM 965 CB ASP A 60 13.428 -7.627 -0.660 1.00 1.02 C ATOM 966 CG ASP A 60 13.955 -8.220 -1.965 1.00 1.13 C ATOM 967 OD1 ASP A 60 13.516 -9.332 -2.330 1.00 1.78 O ATOM 968 OD2 ASP A 60 14.811 -7.543 -2.578 1.00 2.17 O ATOM 0 H ASP A 60 11.079 -8.130 -0.114 1.00 0.88 H new ATOM 0 HA ASP A 60 13.370 -9.659 0.074 1.00 0.95 H new ATOM 0 HB2 ASP A 60 12.562 -7.004 -0.881 1.00 1.02 H new ATOM 0 HB3 ASP A 60 14.191 -6.974 -0.237 1.00 1.02 H new ATOM 973 N VAL A 61 13.028 -7.381 2.449 1.00 0.80 N ATOM 974 CA VAL A 61 13.461 -6.979 3.777 1.00 0.90 C ATOM 975 C VAL A 61 12.765 -7.821 4.852 1.00 0.67 C ATOM 976 O VAL A 61 13.353 -8.093 5.897 1.00 0.98 O ATOM 977 CB VAL A 61 13.223 -5.470 3.931 1.00 1.06 C ATOM 978 CG1 VAL A 61 11.743 -5.112 4.100 1.00 1.64 C ATOM 979 CG2 VAL A 61 14.017 -4.904 5.108 1.00 2.70 C ATOM 0 H VAL A 61 12.190 -6.898 2.124 1.00 0.80 H new ATOM 0 HA VAL A 61 14.527 -7.163 3.909 1.00 0.90 H new ATOM 0 HB VAL A 61 13.570 -5.019 3.002 1.00 1.06 H new ATOM 0 HG11 VAL A 61 11.640 -4.032 4.204 1.00 1.64 H new ATOM 0 HG12 VAL A 61 11.185 -5.447 3.226 1.00 1.64 H new ATOM 0 HG13 VAL A 61 11.350 -5.602 4.991 1.00 1.64 H new ATOM 0 HG21 VAL A 61 13.829 -3.834 5.193 1.00 2.70 H new ATOM 0 HG22 VAL A 61 13.708 -5.401 6.028 1.00 2.70 H new ATOM 0 HG23 VAL A 61 15.081 -5.073 4.944 1.00 2.70 H new ATOM 989 N GLY A 62 11.522 -8.245 4.607 1.00 0.45 N ATOM 990 CA GLY A 62 10.776 -9.151 5.461 1.00 0.81 C ATOM 991 C GLY A 62 9.679 -8.401 6.204 1.00 1.33 C ATOM 992 O GLY A 62 8.533 -8.844 6.215 1.00 2.99 O ATOM 0 H GLY A 62 10.998 -7.954 3.782 1.00 0.45 H new ATOM 0 HA2 GLY A 62 10.337 -9.948 4.861 1.00 0.81 H new ATOM 0 HA3 GLY A 62 11.450 -9.624 6.176 1.00 0.81 H new ATOM 996 N HIS A 63 10.042 -7.260 6.813 1.00 0.40 N ATOM 997 CA HIS A 63 9.239 -6.492 7.763 1.00 0.50 C ATOM 998 C HIS A 63 8.790 -7.320 8.981 1.00 0.75 C ATOM 999 O HIS A 63 8.397 -8.479 8.867 1.00 1.44 O ATOM 1000 CB HIS A 63 8.054 -5.810 7.059 1.00 0.49 C ATOM 1001 CG HIS A 63 8.395 -4.544 6.317 1.00 0.38 C ATOM 1002 ND1 HIS A 63 8.802 -4.473 5.012 1.00 0.39 N ATOM 1003 CD2 HIS A 63 8.247 -3.267 6.787 1.00 0.35 C ATOM 1004 CE1 HIS A 63 8.890 -3.170 4.684 1.00 0.38 C ATOM 1005 NE2 HIS A 63 8.544 -2.399 5.733 1.00 0.33 N ATOM 0 H HIS A 63 10.952 -6.831 6.643 1.00 0.40 H new ATOM 0 HA HIS A 63 9.886 -5.711 8.162 1.00 0.50 H new ATOM 0 HB2 HIS A 63 7.613 -6.517 6.356 1.00 0.49 H new ATOM 0 HB3 HIS A 63 7.291 -5.582 7.803 1.00 0.49 H new ATOM 0 HD1 HIS A 63 9.002 -5.264 4.399 1.00 0.39 H new ATOM 0 HD2 HIS A 63 7.955 -2.983 7.787 1.00 0.35 H new ATOM 0 HE1 HIS A 63 9.195 -2.796 3.718 1.00 0.38 H new ATOM 1013 N SER A 64 8.810 -6.717 10.174 1.00 0.56 N ATOM 1014 CA SER A 64 8.304 -7.370 11.377 1.00 0.76 C ATOM 1015 C SER A 64 6.775 -7.322 11.430 1.00 0.69 C ATOM 1016 O SER A 64 6.127 -6.626 10.649 1.00 0.57 O ATOM 1017 CB SER A 64 8.894 -6.677 12.605 1.00 1.00 C ATOM 1018 OG SER A 64 10.302 -6.737 12.561 1.00 2.01 O ATOM 0 H SER A 64 9.173 -5.776 10.328 1.00 0.56 H new ATOM 0 HA SER A 64 8.603 -8.418 11.362 1.00 0.76 H new ATOM 0 HB2 SER A 64 8.567 -5.638 12.639 1.00 1.00 H new ATOM 0 HB3 SER A 64 8.529 -7.156 13.514 1.00 1.00 H new ATOM 0 HG SER A 64 10.673 -6.290 13.350 1.00 2.01 H new ATOM 1024 N THR A 65 6.176 -8.026 12.392 1.00 0.92 N ATOM 1025 CA THR A 65 4.738 -8.017 12.557 1.00 1.01 C ATOM 1026 C THR A 65 4.238 -6.624 12.939 1.00 0.85 C ATOM 1027 O THR A 65 3.161 -6.233 12.508 1.00 0.89 O ATOM 1028 CB THR A 65 4.364 -9.080 13.587 1.00 1.35 C ATOM 1029 OG1 THR A 65 4.654 -10.345 13.025 1.00 1.68 O ATOM 1030 CG2 THR A 65 2.887 -9.046 13.949 1.00 1.52 C ATOM 0 H THR A 65 6.674 -8.608 13.066 1.00 0.92 H new ATOM 0 HA THR A 65 4.248 -8.260 11.614 1.00 1.01 H new ATOM 0 HB THR A 65 4.932 -8.888 14.497 1.00 1.35 H new ATOM 0 HG1 THR A 65 4.425 -11.049 13.667 1.00 1.68 H new ATOM 0 HG21 THR A 65 2.675 -9.822 14.685 1.00 1.52 H new ATOM 0 HG22 THR A 65 2.637 -8.071 14.368 1.00 1.52 H new ATOM 0 HG23 THR A 65 2.289 -9.221 13.055 1.00 1.52 H new ATOM 1038 N ASP A 66 5.037 -5.842 13.670 1.00 0.77 N ATOM 1039 CA ASP A 66 4.684 -4.466 14.016 1.00 0.79 C ATOM 1040 C ASP A 66 4.384 -3.671 12.747 1.00 0.69 C ATOM 1041 O ASP A 66 3.427 -2.907 12.674 1.00 0.75 O ATOM 1042 CB ASP A 66 5.845 -3.816 14.787 1.00 0.94 C ATOM 1043 CG ASP A 66 5.410 -3.384 16.182 1.00 1.44 C ATOM 1044 OD1 ASP A 66 4.569 -2.463 16.254 1.00 2.34 O ATOM 1045 OD2 ASP A 66 5.922 -3.994 17.145 1.00 2.16 O ATOM 0 H ASP A 66 5.940 -6.144 14.036 1.00 0.77 H new ATOM 0 HA ASP A 66 3.794 -4.468 14.646 1.00 0.79 H new ATOM 0 HB2 ASP A 66 6.673 -4.521 14.864 1.00 0.94 H new ATOM 0 HB3 ASP A 66 6.213 -2.951 14.234 1.00 0.94 H new ATOM 1050 N ALA A 67 5.169 -3.899 11.696 1.00 0.60 N ATOM 1051 CA ALA A 67 4.890 -3.285 10.417 1.00 0.55 C ATOM 1052 C ALA A 67 3.656 -3.917 9.800 1.00 0.52 C ATOM 1053 O ALA A 67 2.771 -3.179 9.386 1.00 0.58 O ATOM 1054 CB ALA A 67 6.086 -3.436 9.492 1.00 0.67 C ATOM 0 H ALA A 67 5.993 -4.500 11.712 1.00 0.60 H new ATOM 0 HA ALA A 67 4.701 -2.222 10.565 1.00 0.55 H new ATOM 0 HB1 ALA A 67 5.865 -2.970 8.532 1.00 0.67 H new ATOM 0 HB2 ALA A 67 6.955 -2.952 9.938 1.00 0.67 H new ATOM 0 HB3 ALA A 67 6.298 -4.495 9.341 1.00 0.67 H new ATOM 1060 N ARG A 68 3.566 -5.258 9.768 1.00 0.56 N ATOM 1061 CA ARG A 68 2.418 -5.955 9.182 1.00 0.63 C ATOM 1062 C ARG A 68 1.094 -5.354 9.792 1.00 0.77 C ATOM 1063 O ARG A 68 0.029 -5.427 9.177 1.00 0.88 O ATOM 1064 CB ARG A 68 2.424 -7.447 9.469 1.00 0.72 C ATOM 1065 CG ARG A 68 3.423 -8.052 8.480 1.00 1.26 C ATOM 1066 CD ARG A 68 3.721 -9.506 8.789 1.00 1.82 C ATOM 1067 NE ARG A 68 2.890 -10.416 7.993 1.00 2.12 N ATOM 1068 CZ ARG A 68 3.179 -11.713 7.845 1.00 2.65 C ATOM 1069 NH1 ARG A 68 4.203 -12.231 8.521 1.00 3.41 N ATOM 1070 NH2 ARG A 68 2.454 -12.481 7.031 1.00 3.04 N ATOM 0 H ARG A 68 4.281 -5.880 10.145 1.00 0.56 H new ATOM 0 HA ARG A 68 2.476 -5.816 8.102 1.00 0.63 H new ATOM 0 HB2 ARG A 68 2.721 -7.647 10.498 1.00 0.72 H new ATOM 0 HB3 ARG A 68 1.431 -7.876 9.335 1.00 0.72 H new ATOM 0 HG2 ARG A 68 3.025 -7.971 7.468 1.00 1.26 H new ATOM 0 HG3 ARG A 68 4.350 -7.479 8.505 1.00 1.26 H new ATOM 0 HD2 ARG A 68 4.774 -9.710 8.593 1.00 1.82 H new ATOM 0 HD3 ARG A 68 3.552 -9.694 9.849 1.00 1.82 H new ATOM 0 HE ARG A 68 2.058 -10.044 7.534 1.00 2.12 H new ATOM 0 HH11 ARG A 68 4.755 -11.640 9.142 1.00 3.41 H new ATOM 0 HH12 ARG A 68 4.435 -13.219 8.418 1.00 3.41 H new ATOM 0 HH21 ARG A 68 1.671 -12.080 6.515 1.00 3.04 H new ATOM 0 HH22 ARG A 68 2.682 -13.469 6.925 1.00 3.04 H new ATOM 1084 N GLU A 69 1.145 -4.834 11.045 1.00 0.76 N ATOM 1085 CA GLU A 69 0.024 -4.305 11.846 1.00 0.83 C ATOM 1086 C GLU A 69 -0.430 -2.920 11.396 1.00 0.82 C ATOM 1087 O GLU A 69 -1.626 -2.715 11.210 1.00 0.82 O ATOM 1088 CB GLU A 69 0.378 -4.183 13.341 1.00 1.02 C ATOM 1089 CG GLU A 69 0.354 -5.517 14.094 1.00 1.17 C ATOM 1090 CD GLU A 69 -0.797 -5.574 15.106 1.00 1.50 C ATOM 1091 OE1 GLU A 69 -1.970 -5.580 14.648 1.00 2.44 O ATOM 1092 OE2 GLU A 69 -0.495 -5.625 16.318 1.00 1.93 O ATOM 0 H GLU A 69 2.029 -4.772 11.550 1.00 0.76 H new ATOM 0 HA GLU A 69 -0.775 -5.031 11.693 1.00 0.83 H new ATOM 0 HB2 GLU A 69 1.370 -3.742 13.435 1.00 1.02 H new ATOM 0 HB3 GLU A 69 -0.323 -3.496 13.816 1.00 1.02 H new ATOM 0 HG2 GLU A 69 0.254 -6.336 13.382 1.00 1.17 H new ATOM 0 HG3 GLU A 69 1.302 -5.660 14.612 1.00 1.17 H new ATOM 1099 N LEU A 70 0.470 -1.945 11.233 1.00 0.84 N ATOM 1100 CA LEU A 70 0.088 -0.634 10.745 1.00 0.90 C ATOM 1101 C LEU A 70 -0.607 -0.754 9.384 1.00 0.84 C ATOM 1102 O LEU A 70 -1.564 -0.038 9.109 1.00 0.87 O ATOM 1103 CB LEU A 70 1.367 0.196 10.668 1.00 1.01 C ATOM 1104 CG LEU A 70 1.854 0.674 12.042 1.00 0.71 C ATOM 1105 CD1 LEU A 70 3.354 0.421 12.207 1.00 2.00 C ATOM 1106 CD2 LEU A 70 1.606 2.168 12.175 1.00 1.35 C ATOM 0 H LEU A 70 1.465 -2.047 11.434 1.00 0.84 H new ATOM 0 HA LEU A 70 -0.627 -0.150 11.410 1.00 0.90 H new ATOM 0 HB2 LEU A 70 2.151 -0.397 10.197 1.00 1.01 H new ATOM 0 HB3 LEU A 70 1.194 1.062 10.028 1.00 1.01 H new ATOM 0 HG LEU A 70 1.308 0.122 12.807 1.00 0.71 H new ATOM 0 HD11 LEU A 70 3.676 0.768 13.189 1.00 2.00 H new ATOM 0 HD12 LEU A 70 3.555 -0.646 12.116 1.00 2.00 H new ATOM 0 HD13 LEU A 70 3.901 0.961 11.434 1.00 2.00 H new ATOM 0 HD21 LEU A 70 1.952 2.509 13.151 1.00 1.35 H new ATOM 0 HD22 LEU A 70 2.149 2.698 11.392 1.00 1.35 H new ATOM 0 HD23 LEU A 70 0.539 2.370 12.077 1.00 1.35 H new ATOM 1118 N SER A 71 -0.212 -1.732 8.569 1.00 0.81 N ATOM 1119 CA SER A 71 -0.882 -2.094 7.325 1.00 0.82 C ATOM 1120 C SER A 71 -2.360 -2.347 7.531 1.00 0.73 C ATOM 1121 O SER A 71 -3.187 -1.970 6.706 1.00 0.80 O ATOM 1122 CB SER A 71 -0.152 -3.291 6.720 1.00 0.82 C ATOM 1123 OG SER A 71 1.097 -3.538 7.317 1.00 1.64 O ATOM 0 H SER A 71 0.606 -2.309 8.764 1.00 0.81 H new ATOM 0 HA SER A 71 -0.836 -1.262 6.623 1.00 0.82 H new ATOM 0 HB2 SER A 71 -0.777 -4.178 6.820 1.00 0.82 H new ATOM 0 HB3 SER A 71 -0.010 -3.120 5.653 1.00 0.82 H new ATOM 0 HG SER A 71 1.516 -4.315 6.891 1.00 1.64 H new ATOM 1129 N LYS A 72 -2.729 -2.933 8.658 1.00 0.67 N ATOM 1130 CA LYS A 72 -4.128 -3.126 8.963 1.00 0.69 C ATOM 1131 C LYS A 72 -4.862 -1.790 9.048 1.00 0.71 C ATOM 1132 O LYS A 72 -5.931 -1.665 8.460 1.00 1.01 O ATOM 1133 CB LYS A 72 -4.235 -3.949 10.244 1.00 0.76 C ATOM 1134 CG LYS A 72 -5.631 -4.568 10.348 1.00 0.91 C ATOM 1135 CD LYS A 72 -5.595 -5.990 10.930 1.00 1.77 C ATOM 1136 CE LYS A 72 -6.245 -6.043 12.315 1.00 2.53 C ATOM 1137 NZ LYS A 72 -5.256 -6.215 13.410 1.00 4.02 N ATOM 0 H LYS A 72 -2.083 -3.279 9.368 1.00 0.67 H new ATOM 0 HA LYS A 72 -4.618 -3.677 8.160 1.00 0.69 H new ATOM 0 HB2 LYS A 72 -3.478 -4.733 10.247 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -4.042 -3.317 11.111 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -6.260 -3.937 10.975 1.00 0.91 H new ATOM 0 HG3 LYS A 72 -6.090 -4.594 9.359 1.00 0.91 H new ATOM 0 HD2 LYS A 72 -6.113 -6.673 10.257 1.00 1.77 H new ATOM 0 HD3 LYS A 72 -4.562 -6.331 10.998 1.00 1.77 H new ATOM 0 HE2 LYS A 72 -6.809 -5.125 12.482 1.00 2.53 H new ATOM 0 HE3 LYS A 72 -6.959 -6.866 12.345 1.00 2.53 H new ATOM 0 HZ1 LYS A 72 -5.752 -6.244 14.324 1.00 4.02 H new ATOM 0 HZ2 LYS A 72 -4.735 -7.104 13.270 1.00 4.02 H new ATOM 0 HZ3 LYS A 72 -4.589 -5.417 13.403 1.00 4.02 H new ATOM 1151 N THR A 73 -4.292 -0.776 9.706 1.00 0.52 N ATOM 1152 CA THR A 73 -4.932 0.536 9.755 1.00 0.58 C ATOM 1153 C THR A 73 -4.711 1.340 8.467 1.00 0.55 C ATOM 1154 O THR A 73 -5.167 2.479 8.385 1.00 0.65 O ATOM 1155 CB THR A 73 -4.538 1.315 11.020 1.00 0.70 C ATOM 1156 OG1 THR A 73 -5.409 2.413 11.192 1.00 1.48 O ATOM 1157 CG2 THR A 73 -3.099 1.824 11.025 1.00 1.06 C ATOM 0 H THR A 73 -3.404 -0.838 10.203 1.00 0.52 H new ATOM 0 HA THR A 73 -6.007 0.366 9.819 1.00 0.58 H new ATOM 0 HB THR A 73 -4.620 0.604 11.842 1.00 0.70 H new ATOM 0 HG1 THR A 73 -5.581 2.833 10.324 1.00 1.48 H new ATOM 0 HG21 THR A 73 -2.906 2.362 11.953 1.00 1.06 H new ATOM 0 HG22 THR A 73 -2.414 0.980 10.946 1.00 1.06 H new ATOM 0 HG23 THR A 73 -2.947 2.495 10.179 1.00 1.06 H new ATOM 1165 N PHE A 74 -4.011 0.787 7.475 1.00 0.49 N ATOM 1166 CA PHE A 74 -3.775 1.452 6.202 1.00 0.50 C ATOM 1167 C PHE A 74 -4.657 0.836 5.138 1.00 0.48 C ATOM 1168 O PHE A 74 -4.828 1.423 4.078 1.00 0.53 O ATOM 1169 CB PHE A 74 -2.301 1.325 5.817 1.00 0.58 C ATOM 1170 CG PHE A 74 -1.318 1.991 6.743 1.00 0.57 C ATOM 1171 CD1 PHE A 74 -1.739 2.927 7.708 1.00 1.77 C ATOM 1172 CD2 PHE A 74 0.039 1.649 6.633 1.00 1.65 C ATOM 1173 CE1 PHE A 74 -0.819 3.444 8.626 1.00 1.80 C ATOM 1174 CE2 PHE A 74 0.967 2.225 7.503 1.00 1.67 C ATOM 1175 CZ PHE A 74 0.522 3.067 8.528 1.00 0.70 C ATOM 0 H PHE A 74 -3.591 -0.141 7.537 1.00 0.49 H new ATOM 0 HA PHE A 74 -4.020 2.510 6.292 1.00 0.50 H new ATOM 0 HB2 PHE A 74 -2.052 0.266 5.756 1.00 0.58 H new ATOM 0 HB3 PHE A 74 -2.169 1.742 4.819 1.00 0.58 H new ATOM 0 HD1 PHE A 74 -2.771 3.245 7.739 1.00 1.77 H new ATOM 0 HD2 PHE A 74 0.363 0.945 5.881 1.00 1.65 H new ATOM 0 HE1 PHE A 74 -1.141 4.125 9.400 1.00 1.80 H new ATOM 0 HE2 PHE A 74 2.021 2.022 7.385 1.00 1.67 H new ATOM 0 HZ PHE A 74 1.229 3.432 9.258 1.00 0.70 H new ATOM 1185 N ILE A 75 -5.250 -0.332 5.374 1.00 0.51 N ATOM 1186 CA ILE A 75 -6.176 -0.850 4.401 1.00 0.55 C ATOM 1187 C ILE A 75 -7.326 0.136 4.248 1.00 0.56 C ATOM 1188 O ILE A 75 -7.897 0.616 5.226 1.00 0.69 O ATOM 1189 CB ILE A 75 -6.590 -2.282 4.767 1.00 0.65 C ATOM 1190 CG1 ILE A 75 -6.416 -3.180 3.540 1.00 1.01 C ATOM 1191 CG2 ILE A 75 -8.049 -2.396 5.208 1.00 0.88 C ATOM 1192 CD1 ILE A 75 -6.648 -4.638 3.923 1.00 1.55 C ATOM 0 H ILE A 75 -5.107 -0.911 6.202 1.00 0.51 H new ATOM 0 HA ILE A 75 -5.715 -0.940 3.418 1.00 0.55 H new ATOM 0 HB ILE A 75 -5.956 -2.583 5.601 1.00 0.65 H new ATOM 0 HG12 ILE A 75 -7.118 -2.884 2.760 1.00 1.01 H new ATOM 0 HG13 ILE A 75 -5.414 -3.058 3.129 1.00 1.01 H new ATOM 0 HG21 ILE A 75 -8.275 -3.434 5.452 1.00 0.88 H new ATOM 0 HG22 ILE A 75 -8.213 -1.773 6.087 1.00 0.88 H new ATOM 0 HG23 ILE A 75 -8.700 -2.063 4.400 1.00 0.88 H new ATOM 0 HD11 ILE A 75 -6.522 -5.270 3.044 1.00 1.55 H new ATOM 0 HD12 ILE A 75 -5.929 -4.932 4.687 1.00 1.55 H new ATOM 0 HD13 ILE A 75 -7.659 -4.755 4.312 1.00 1.55 H new ATOM 1204 N ILE A 76 -7.662 0.424 3.000 1.00 0.54 N ATOM 1205 CA ILE A 76 -8.803 1.259 2.666 1.00 0.55 C ATOM 1206 C ILE A 76 -9.713 0.527 1.693 1.00 0.63 C ATOM 1207 O ILE A 76 -10.720 1.090 1.283 1.00 0.73 O ATOM 1208 CB ILE A 76 -8.336 2.621 2.126 1.00 0.50 C ATOM 1209 CG1 ILE A 76 -7.353 2.479 0.953 1.00 0.48 C ATOM 1210 CG2 ILE A 76 -7.694 3.456 3.230 1.00 0.58 C ATOM 1211 CD1 ILE A 76 -8.096 2.334 -0.350 1.00 0.60 C ATOM 0 H ILE A 76 -7.148 0.083 2.188 1.00 0.54 H new ATOM 0 HA ILE A 76 -9.383 1.461 3.567 1.00 0.55 H new ATOM 0 HB ILE A 76 -9.228 3.129 1.759 1.00 0.50 H new ATOM 0 HG12 ILE A 76 -6.701 3.352 0.911 1.00 0.48 H new ATOM 0 HG13 ILE A 76 -6.713 1.611 1.111 1.00 0.48 H new ATOM 0 HG21 ILE A 76 -7.373 4.414 2.821 1.00 0.58 H new ATOM 0 HG22 ILE A 76 -8.419 3.626 4.026 1.00 0.58 H new ATOM 0 HG23 ILE A 76 -6.831 2.925 3.632 1.00 0.58 H new ATOM 0 HD11 ILE A 76 -7.382 2.235 -1.167 1.00 0.60 H new ATOM 0 HD12 ILE A 76 -8.729 1.447 -0.311 1.00 0.60 H new ATOM 0 HD13 ILE A 76 -8.716 3.215 -0.515 1.00 0.60 H new ATOM 1223 N GLY A 77 -9.373 -0.707 1.307 1.00 0.67 N ATOM 1224 CA GLY A 77 -10.099 -1.493 0.332 1.00 0.80 C ATOM 1225 C GLY A 77 -9.283 -2.739 0.007 1.00 0.63 C ATOM 1226 O GLY A 77 -8.220 -2.964 0.585 1.00 0.63 O ATOM 0 H GLY A 77 -8.558 -1.192 1.682 1.00 0.67 H new ATOM 0 HA2 GLY A 77 -11.077 -1.773 0.724 1.00 0.80 H new ATOM 0 HA3 GLY A 77 -10.273 -0.908 -0.571 1.00 0.80 H new ATOM 1230 N GLU A 78 -9.760 -3.548 -0.930 1.00 0.58 N ATOM 1231 CA GLU A 78 -9.049 -4.731 -1.378 1.00 0.46 C ATOM 1232 C GLU A 78 -9.218 -4.837 -2.885 1.00 0.50 C ATOM 1233 O GLU A 78 -10.108 -4.198 -3.449 1.00 0.65 O ATOM 1234 CB GLU A 78 -9.568 -5.980 -0.644 1.00 0.50 C ATOM 1235 CG GLU A 78 -8.862 -6.124 0.711 1.00 2.03 C ATOM 1236 CD GLU A 78 -8.887 -7.559 1.239 1.00 2.31 C ATOM 1237 OE1 GLU A 78 -8.084 -8.366 0.721 1.00 2.90 O ATOM 1238 OE2 GLU A 78 -9.664 -7.817 2.184 1.00 2.92 O ATOM 0 H GLU A 78 -10.653 -3.399 -1.400 1.00 0.58 H new ATOM 0 HA GLU A 78 -7.987 -4.656 -1.145 1.00 0.46 H new ATOM 0 HB2 GLU A 78 -10.645 -5.903 -0.496 1.00 0.50 H new ATOM 0 HB3 GLU A 78 -9.392 -6.868 -1.251 1.00 0.50 H new ATOM 0 HG2 GLU A 78 -7.827 -5.795 0.614 1.00 2.03 H new ATOM 0 HG3 GLU A 78 -9.339 -5.466 1.437 1.00 2.03 H new ATOM 1245 N LEU A 79 -8.353 -5.621 -3.533 1.00 0.61 N ATOM 1246 CA LEU A 79 -8.428 -5.860 -4.960 1.00 0.83 C ATOM 1247 C LEU A 79 -9.777 -6.482 -5.282 1.00 0.61 C ATOM 1248 O LEU A 79 -10.138 -7.489 -4.675 1.00 0.76 O ATOM 1249 CB LEU A 79 -7.269 -6.782 -5.374 1.00 1.36 C ATOM 1250 CG LEU A 79 -6.153 -5.960 -6.014 1.00 0.71 C ATOM 1251 CD1 LEU A 79 -5.591 -4.855 -5.120 1.00 1.33 C ATOM 1252 CD2 LEU A 79 -5.006 -6.870 -6.455 1.00 1.68 C ATOM 0 H LEU A 79 -7.582 -6.105 -3.073 1.00 0.61 H new ATOM 0 HA LEU A 79 -8.337 -4.927 -5.517 1.00 0.83 H new ATOM 0 HB2 LEU A 79 -6.887 -7.314 -4.503 1.00 1.36 H new ATOM 0 HB3 LEU A 79 -7.626 -7.536 -6.076 1.00 1.36 H new ATOM 0 HG LEU A 79 -6.616 -5.469 -6.870 1.00 0.71 H new ATOM 0 HD11 LEU A 79 -4.804 -4.321 -5.653 1.00 1.33 H new ATOM 0 HD12 LEU A 79 -6.388 -4.159 -4.857 1.00 1.33 H new ATOM 0 HD13 LEU A 79 -5.180 -5.296 -4.212 1.00 1.33 H new ATOM 0 HD21 LEU A 79 -4.219 -6.269 -6.909 1.00 1.68 H new ATOM 0 HD22 LEU A 79 -4.606 -7.397 -5.589 1.00 1.68 H new ATOM 0 HD23 LEU A 79 -5.375 -7.594 -7.182 1.00 1.68 H new ATOM 1264 N HIS A 80 -10.519 -5.882 -6.220 1.00 0.53 N ATOM 1265 CA HIS A 80 -11.827 -6.395 -6.600 1.00 0.73 C ATOM 1266 C HIS A 80 -11.779 -7.901 -6.833 1.00 1.00 C ATOM 1267 O HIS A 80 -10.929 -8.381 -7.587 1.00 1.17 O ATOM 1268 CB HIS A 80 -12.362 -5.705 -7.859 1.00 0.88 C ATOM 1269 CG HIS A 80 -13.276 -4.555 -7.545 1.00 1.01 C ATOM 1270 ND1 HIS A 80 -14.397 -4.184 -8.254 1.00 1.52 N ATOM 1271 CD2 HIS A 80 -13.174 -3.728 -6.465 1.00 1.27 C ATOM 1272 CE1 HIS A 80 -14.942 -3.131 -7.618 1.00 1.64 C ATOM 1273 NE2 HIS A 80 -14.228 -2.820 -6.528 1.00 1.53 N ATOM 0 H HIS A 80 -10.231 -5.044 -6.725 1.00 0.53 H new ATOM 0 HA HIS A 80 -12.502 -6.180 -5.771 1.00 0.73 H new ATOM 0 HB2 HIS A 80 -11.524 -5.345 -8.455 1.00 0.88 H new ATOM 0 HB3 HIS A 80 -12.897 -6.433 -8.468 1.00 0.88 H new ATOM 0 HD2 HIS A 80 -12.413 -3.770 -5.699 1.00 1.27 H new ATOM 0 HE1 HIS A 80 -15.831 -2.609 -7.941 1.00 1.64 H new ATOM 0 HE2 HIS A 80 -14.419 -2.064 -5.871 1.00 1.53 H new ATOM 1281 N PRO A 81 -12.695 -8.651 -6.205 1.00 1.46 N ATOM 1282 CA PRO A 81 -12.753 -10.084 -6.346 1.00 1.81 C ATOM 1283 C PRO A 81 -13.339 -10.438 -7.706 1.00 2.21 C ATOM 1284 O PRO A 81 -14.527 -10.736 -7.831 1.00 3.49 O ATOM 1285 CB PRO A 81 -13.594 -10.584 -5.169 1.00 2.41 C ATOM 1286 CG PRO A 81 -14.497 -9.397 -4.825 1.00 2.66 C ATOM 1287 CD PRO A 81 -13.711 -8.170 -5.285 1.00 2.02 C ATOM 0 HA PRO A 81 -11.773 -10.561 -6.317 1.00 1.81 H new ATOM 0 HB2 PRO A 81 -14.178 -11.463 -5.441 1.00 2.41 H new ATOM 0 HB3 PRO A 81 -12.968 -10.867 -4.323 1.00 2.41 H new ATOM 0 HG2 PRO A 81 -15.457 -9.468 -5.336 1.00 2.66 H new ATOM 0 HG3 PRO A 81 -14.707 -9.355 -3.756 1.00 2.66 H new ATOM 0 HD2 PRO A 81 -14.367 -7.450 -5.774 1.00 2.02 H new ATOM 0 HD3 PRO A 81 -13.255 -7.661 -4.436 1.00 2.02 H new ATOM 1295 N ASP A 82 -12.469 -10.406 -8.712 1.00 1.89 N ATOM 1296 CA ASP A 82 -12.728 -10.745 -10.100 1.00 2.19 C ATOM 1297 C ASP A 82 -11.376 -10.773 -10.804 1.00 2.05 C ATOM 1298 O ASP A 82 -10.912 -11.835 -11.219 1.00 2.27 O ATOM 1299 CB ASP A 82 -13.681 -9.724 -10.727 1.00 2.56 C ATOM 1300 CG ASP A 82 -13.914 -10.061 -12.194 1.00 2.78 C ATOM 1301 OD1 ASP A 82 -14.380 -11.198 -12.433 1.00 3.51 O ATOM 1302 OD2 ASP A 82 -13.639 -9.188 -13.041 1.00 3.38 O ATOM 0 H ASP A 82 -11.500 -10.123 -8.564 1.00 1.89 H new ATOM 0 HA ASP A 82 -13.215 -11.716 -10.193 1.00 2.19 H new ATOM 0 HB2 ASP A 82 -14.630 -9.723 -10.191 1.00 2.56 H new ATOM 0 HB3 ASP A 82 -13.263 -8.721 -10.638 1.00 2.56 H new ATOM 1307 N ASP A 83 -10.648 -9.651 -10.760 1.00 1.92 N ATOM 1308 CA ASP A 83 -9.373 -9.453 -11.457 1.00 2.23 C ATOM 1309 C ASP A 83 -8.228 -10.253 -10.821 1.00 2.20 C ATOM 1310 O ASP A 83 -7.056 -10.029 -11.123 1.00 2.63 O ATOM 1311 CB ASP A 83 -8.993 -7.965 -11.459 1.00 2.46 C ATOM 1312 CG ASP A 83 -9.877 -7.107 -12.357 1.00 3.99 C ATOM 1313 OD1 ASP A 83 -9.658 -7.167 -13.587 1.00 4.85 O ATOM 1314 OD2 ASP A 83 -10.705 -6.363 -11.786 1.00 4.82 O ATOM 0 H ASP A 83 -10.938 -8.833 -10.223 1.00 1.92 H new ATOM 0 HA ASP A 83 -9.515 -9.812 -12.476 1.00 2.23 H new ATOM 0 HB2 ASP A 83 -9.048 -7.584 -10.439 1.00 2.46 H new ATOM 0 HB3 ASP A 83 -7.957 -7.864 -11.781 1.00 2.46 H new ATOM 1319 N ARG A 84 -8.518 -11.168 -9.894 1.00 2.03 N ATOM 1320 CA ARG A 84 -7.477 -11.877 -9.171 1.00 2.31 C ATOM 1321 C ARG A 84 -7.930 -13.310 -8.962 1.00 2.41 C ATOM 1322 O ARG A 84 -7.781 -13.868 -7.879 1.00 3.04 O ATOM 1323 CB ARG A 84 -7.191 -11.113 -7.874 1.00 2.74 C ATOM 1324 CG ARG A 84 -5.865 -11.523 -7.216 1.00 3.63 C ATOM 1325 CD ARG A 84 -4.664 -11.162 -8.104 1.00 5.79 C ATOM 1326 NE ARG A 84 -4.056 -12.339 -8.747 1.00 6.72 N ATOM 1327 CZ ARG A 84 -2.827 -12.359 -9.284 1.00 8.42 C ATOM 1328 NH1 ARG A 84 -2.081 -11.253 -9.297 1.00 9.56 N ATOM 1329 NH2 ARG A 84 -2.340 -13.484 -9.811 1.00 9.28 N ATOM 0 H ARG A 84 -9.468 -11.431 -9.631 1.00 2.03 H new ATOM 0 HA ARG A 84 -6.538 -11.925 -9.722 1.00 2.31 H new ATOM 0 HB2 ARG A 84 -7.170 -10.044 -8.086 1.00 2.74 H new ATOM 0 HB3 ARG A 84 -8.007 -11.283 -7.171 1.00 2.74 H new ATOM 0 HG2 ARG A 84 -5.768 -11.027 -6.250 1.00 3.63 H new ATOM 0 HG3 ARG A 84 -5.868 -12.596 -7.024 1.00 3.63 H new ATOM 0 HD2 ARG A 84 -4.985 -10.459 -8.873 1.00 5.79 H new ATOM 0 HD3 ARG A 84 -3.912 -10.654 -7.501 1.00 5.79 H new ATOM 0 HE ARG A 84 -4.606 -13.197 -8.787 1.00 6.72 H new ATOM 0 HH11 ARG A 84 -2.445 -10.388 -8.898 1.00 9.56 H new ATOM 0 HH12 ARG A 84 -1.147 -11.273 -9.706 1.00 9.56 H new ATOM 0 HH21 ARG A 84 -2.903 -14.335 -9.807 1.00 9.28 H new ATOM 0 HH22 ARG A 84 -1.405 -13.493 -10.218 1.00 9.28 H new ATOM 1343 N SER A 85 -8.557 -13.894 -9.986 1.00 2.40 N ATOM 1344 CA SER A 85 -9.130 -15.228 -9.888 1.00 3.09 C ATOM 1345 C SER A 85 -10.233 -15.273 -8.828 1.00 4.38 C ATOM 1346 O SER A 85 -10.485 -16.327 -8.254 1.00 5.20 O ATOM 1347 CB SER A 85 -8.019 -16.253 -9.608 1.00 2.92 C ATOM 1348 OG SER A 85 -8.402 -17.520 -10.097 1.00 3.76 O ATOM 0 H SER A 85 -8.679 -13.455 -10.898 1.00 2.40 H new ATOM 0 HA SER A 85 -9.596 -15.488 -10.839 1.00 3.09 H new ATOM 0 HB2 SER A 85 -7.091 -15.935 -10.083 1.00 2.92 H new ATOM 0 HB3 SER A 85 -7.826 -16.310 -8.537 1.00 2.92 H new ATOM 0 HG SER A 85 -8.693 -18.084 -9.351 1.00 3.76 H new ATOM 1354 N LYS A 86 -10.874 -14.137 -8.520 1.00 5.14 N ATOM 1355 CA LYS A 86 -11.834 -14.042 -7.420 1.00 7.14 C ATOM 1356 C LYS A 86 -11.262 -14.532 -6.086 1.00 8.84 C ATOM 1357 O LYS A 86 -11.995 -15.045 -5.247 1.00 10.59 O ATOM 1358 CB LYS A 86 -13.131 -14.766 -7.805 1.00 7.34 C ATOM 1359 CG LYS A 86 -13.906 -13.961 -8.838 1.00 7.63 C ATOM 1360 CD LYS A 86 -15.339 -14.463 -9.040 1.00 8.77 C ATOM 1361 CE LYS A 86 -16.325 -13.591 -8.250 1.00 10.08 C ATOM 1362 NZ LYS A 86 -17.680 -13.641 -8.840 1.00 10.83 N ATOM 0 H LYS A 86 -10.740 -13.262 -9.027 1.00 5.14 H new ATOM 0 HA LYS A 86 -12.061 -12.988 -7.258 1.00 7.14 H new ATOM 0 HB2 LYS A 86 -12.898 -15.753 -8.205 1.00 7.34 H new ATOM 0 HB3 LYS A 86 -13.746 -14.918 -6.918 1.00 7.34 H new ATOM 0 HG2 LYS A 86 -13.934 -12.916 -8.529 1.00 7.63 H new ATOM 0 HG3 LYS A 86 -13.377 -13.998 -9.790 1.00 7.63 H new ATOM 0 HD2 LYS A 86 -15.593 -14.442 -10.100 1.00 8.77 H new ATOM 0 HD3 LYS A 86 -15.418 -15.500 -8.714 1.00 8.77 H new ATOM 0 HE2 LYS A 86 -16.364 -13.930 -7.215 1.00 10.08 H new ATOM 0 HE3 LYS A 86 -15.971 -12.560 -8.235 1.00 10.08 H new ATOM 0 HZ1 LYS A 86 -18.323 -13.042 -8.284 1.00 10.83 H new ATOM 0 HZ2 LYS A 86 -17.645 -13.295 -9.820 1.00 10.83 H new ATOM 0 HZ3 LYS A 86 -18.026 -14.622 -8.831 1.00 10.83 H new ATOM 1376 N LEU A 87 -9.955 -14.348 -5.873 1.00 8.64 N ATOM 1377 CA LEU A 87 -9.261 -14.722 -4.644 1.00 10.48 C ATOM 1378 C LEU A 87 -9.413 -16.223 -4.365 1.00 12.08 C ATOM 1379 O LEU A 87 -9.299 -16.661 -3.224 1.00 13.29 O ATOM 1380 CB LEU A 87 -9.697 -13.845 -3.445 1.00 11.14 C ATOM 1381 CG LEU A 87 -10.079 -12.390 -3.784 1.00 9.81 C ATOM 1382 CD1 LEU A 87 -10.458 -11.609 -2.519 1.00 10.46 C ATOM 1383 CD2 LEU A 87 -8.960 -11.639 -4.514 1.00 9.16 C ATOM 0 H LEU A 87 -9.340 -13.925 -6.568 1.00 8.64 H new ATOM 0 HA LEU A 87 -8.198 -14.529 -4.786 1.00 10.48 H new ATOM 0 HB2 LEU A 87 -10.550 -14.322 -2.961 1.00 11.14 H new ATOM 0 HB3 LEU A 87 -8.886 -13.828 -2.717 1.00 11.14 H new ATOM 0 HG LEU A 87 -10.938 -12.455 -4.452 1.00 9.81 H new ATOM 0 HD11 LEU A 87 -10.723 -10.586 -2.788 1.00 10.46 H new ATOM 0 HD12 LEU A 87 -11.309 -12.089 -2.036 1.00 10.46 H new ATOM 0 HD13 LEU A 87 -9.612 -11.596 -1.832 1.00 10.46 H new ATOM 0 HD21 LEU A 87 -9.284 -10.620 -4.727 1.00 9.16 H new ATOM 0 HD22 LEU A 87 -8.070 -11.612 -3.886 1.00 9.16 H new ATOM 0 HD23 LEU A 87 -8.729 -12.149 -5.449 1.00 9.16 H new ATOM 1395 N SER A 88 -9.699 -17.019 -5.400 1.00 12.30 N ATOM 1396 CA SER A 88 -9.971 -18.435 -5.274 1.00 13.86 C ATOM 1397 C SER A 88 -9.560 -19.141 -6.566 1.00 13.62 C ATOM 1398 O SER A 88 -9.032 -18.529 -7.494 1.00 12.42 O ATOM 1399 CB SER A 88 -11.464 -18.624 -4.984 1.00 14.40 C ATOM 1400 OG SER A 88 -11.712 -19.957 -4.579 1.00 16.00 O ATOM 0 H SER A 88 -9.746 -16.681 -6.361 1.00 12.30 H new ATOM 0 HA SER A 88 -9.400 -18.869 -4.453 1.00 13.86 H new ATOM 0 HB2 SER A 88 -11.782 -17.933 -4.204 1.00 14.40 H new ATOM 0 HB3 SER A 88 -12.048 -18.391 -5.874 1.00 14.40 H new ATOM 0 HG SER A 88 -12.668 -20.070 -4.394 1.00 16.00 H new ATOM 1406 N LYS A 89 -9.795 -20.450 -6.642 1.00 15.03 N ATOM 1407 CA LYS A 89 -9.586 -21.213 -7.862 1.00 15.22 C ATOM 1408 C LYS A 89 -10.443 -22.477 -7.798 1.00 16.90 C ATOM 1409 O LYS A 89 -9.906 -23.577 -7.705 1.00 18.01 O ATOM 1410 CB LYS A 89 -8.082 -21.511 -8.010 1.00 15.34 C ATOM 1411 CG LYS A 89 -7.681 -22.119 -9.361 1.00 15.48 C ATOM 1412 CD LYS A 89 -8.059 -21.213 -10.540 1.00 14.74 C ATOM 1413 CE LYS A 89 -9.315 -21.741 -11.242 1.00 15.34 C ATOM 1414 NZ LYS A 89 -9.912 -20.726 -12.136 1.00 15.03 N ATOM 0 H LYS A 89 -10.135 -21.007 -5.858 1.00 15.03 H new ATOM 0 HA LYS A 89 -9.892 -20.654 -8.746 1.00 15.22 H new ATOM 0 HB2 LYS A 89 -7.525 -20.585 -7.864 1.00 15.34 H new ATOM 0 HB3 LYS A 89 -7.780 -22.193 -7.215 1.00 15.34 H new ATOM 0 HG2 LYS A 89 -6.606 -22.297 -9.372 1.00 15.48 H new ATOM 0 HG3 LYS A 89 -8.166 -23.088 -9.480 1.00 15.48 H new ATOM 0 HD2 LYS A 89 -8.234 -20.198 -10.184 1.00 14.74 H new ATOM 0 HD3 LYS A 89 -7.232 -21.165 -11.249 1.00 14.74 H new ATOM 0 HE2 LYS A 89 -9.062 -22.630 -11.819 1.00 15.34 H new ATOM 0 HE3 LYS A 89 -10.049 -22.044 -10.495 1.00 15.34 H new ATOM 0 HZ1 LYS A 89 -10.759 -21.121 -12.592 1.00 15.03 H new ATOM 0 HZ2 LYS A 89 -10.177 -19.887 -11.581 1.00 15.03 H new ATOM 0 HZ3 LYS A 89 -9.221 -20.455 -12.864 1.00 15.03 H new ATOM 1428 N PRO A 90 -11.776 -22.341 -7.802 1.00 17.35 N ATOM 1429 CA PRO A 90 -12.653 -23.492 -7.825 1.00 19.02 C ATOM 1430 C PRO A 90 -12.607 -24.147 -9.208 1.00 19.28 C ATOM 1431 O PRO A 90 -11.975 -23.634 -10.136 1.00 18.42 O ATOM 1432 CB PRO A 90 -14.038 -22.955 -7.462 1.00 19.42 C ATOM 1433 CG PRO A 90 -14.009 -21.489 -7.899 1.00 17.81 C ATOM 1434 CD PRO A 90 -12.527 -21.103 -7.923 1.00 16.49 C ATOM 0 HA PRO A 90 -12.361 -24.271 -7.121 1.00 19.02 H new ATOM 0 HB2 PRO A 90 -14.825 -23.507 -7.977 1.00 19.42 H new ATOM 0 HB3 PRO A 90 -14.231 -23.047 -6.393 1.00 19.42 H new ATOM 0 HG2 PRO A 90 -14.464 -21.362 -8.881 1.00 17.81 H new ATOM 0 HG3 PRO A 90 -14.568 -20.861 -7.205 1.00 17.81 H new ATOM 0 HD2 PRO A 90 -12.276 -20.586 -8.849 1.00 16.49 H new ATOM 0 HD3 PRO A 90 -12.290 -20.424 -7.104 1.00 16.49 H new ATOM 1442 N MET A 91 -13.285 -25.288 -9.332 1.00 20.69 N ATOM 1443 CA MET A 91 -13.345 -26.106 -10.534 1.00 21.37 C ATOM 1444 C MET A 91 -14.639 -26.917 -10.490 1.00 22.70 C ATOM 1445 O MET A 91 -15.357 -26.860 -9.492 1.00 23.23 O ATOM 1446 CB MET A 91 -12.105 -27.013 -10.584 1.00 22.21 C ATOM 1447 CG MET A 91 -12.037 -27.976 -9.389 1.00 23.85 C ATOM 1448 SD MET A 91 -12.482 -29.694 -9.753 1.00 25.95 S ATOM 1449 CE MET A 91 -10.960 -30.235 -10.578 1.00 26.44 C ATOM 0 H MET A 91 -13.829 -25.680 -8.563 1.00 20.69 H new ATOM 0 HA MET A 91 -13.346 -25.493 -11.436 1.00 21.37 H new ATOM 0 HB2 MET A 91 -12.115 -27.587 -11.510 1.00 22.21 H new ATOM 0 HB3 MET A 91 -11.207 -26.396 -10.602 1.00 22.21 H new ATOM 0 HG2 MET A 91 -11.024 -27.958 -8.986 1.00 23.85 H new ATOM 0 HG3 MET A 91 -12.698 -27.605 -8.606 1.00 23.85 H new ATOM 0 HE1 MET A 91 -11.058 -31.280 -10.873 1.00 26.44 H new ATOM 0 HE2 MET A 91 -10.788 -29.622 -11.463 1.00 26.44 H new ATOM 0 HE3 MET A 91 -10.118 -30.129 -9.894 1.00 26.44 H new ATOM 1459 N GLU A 92 -14.942 -27.676 -11.544 1.00 23.40 N ATOM 1460 CA GLU A 92 -16.100 -28.557 -11.578 1.00 24.84 C ATOM 1461 C GLU A 92 -15.704 -29.801 -12.377 1.00 25.99 C ATOM 1462 O GLU A 92 -14.713 -29.756 -13.109 1.00 25.57 O ATOM 1463 CB GLU A 92 -17.282 -27.786 -12.198 1.00 24.25 C ATOM 1464 CG GLU A 92 -18.651 -28.289 -11.720 1.00 25.37 C ATOM 1465 CD GLU A 92 -19.375 -29.084 -12.804 1.00 26.16 C ATOM 1466 OE1 GLU A 92 -19.047 -30.281 -12.933 1.00 27.16 O ATOM 1467 OE2 GLU A 92 -20.227 -28.481 -13.492 1.00 25.87 O ATOM 0 H GLU A 92 -14.386 -27.694 -12.399 1.00 23.40 H new ATOM 0 HA GLU A 92 -16.417 -28.879 -10.586 1.00 24.84 H new ATOM 0 HB2 GLU A 92 -17.185 -26.728 -11.953 1.00 24.25 H new ATOM 0 HB3 GLU A 92 -17.231 -27.868 -13.284 1.00 24.25 H new ATOM 0 HG2 GLU A 92 -18.520 -28.915 -10.837 1.00 25.37 H new ATOM 0 HG3 GLU A 92 -19.266 -27.440 -11.421 1.00 25.37 H new ATOM 1474 N THR A 93 -16.437 -30.905 -12.239 1.00 27.57 N ATOM 1475 CA THR A 93 -16.228 -32.108 -13.027 1.00 28.85 C ATOM 1476 C THR A 93 -17.448 -33.013 -12.867 1.00 30.36 C ATOM 1477 O THR A 93 -18.098 -33.009 -11.820 1.00 30.85 O ATOM 1478 CB THR A 93 -14.938 -32.830 -12.588 1.00 29.83 C ATOM 1479 OG1 THR A 93 -14.687 -33.951 -13.412 1.00 30.46 O ATOM 1480 CG2 THR A 93 -14.948 -33.284 -11.125 1.00 31.24 C ATOM 0 H THR A 93 -17.201 -30.985 -11.567 1.00 27.57 H new ATOM 0 HA THR A 93 -16.108 -31.845 -14.078 1.00 28.85 H new ATOM 0 HB THR A 93 -14.145 -32.090 -12.692 1.00 29.83 H new ATOM 0 HG1 THR A 93 -15.332 -34.660 -13.205 1.00 30.46 H new ATOM 0 HG21 THR A 93 -14.007 -33.783 -10.892 1.00 31.24 H new ATOM 0 HG22 THR A 93 -15.069 -32.417 -10.476 1.00 31.24 H new ATOM 0 HG23 THR A 93 -15.775 -33.976 -10.964 1.00 31.24 H new ATOM 1488 N LEU A 94 -17.691 -33.846 -13.880 1.00 31.26 N ATOM 1489 CA LEU A 94 -18.539 -35.020 -13.743 1.00 33.02 C ATOM 1490 C LEU A 94 -17.863 -35.994 -12.784 1.00 34.43 C ATOM 1491 O LEU A 94 -18.600 -36.774 -12.147 1.00 35.70 O ATOM 1492 CB LEU A 94 -18.776 -35.635 -15.132 1.00 33.58 C ATOM 1493 CG LEU A 94 -19.666 -36.888 -15.067 1.00 35.26 C ATOM 1494 CD1 LEU A 94 -20.580 -36.927 -16.296 1.00 35.44 C ATOM 1495 CD2 LEU A 94 -18.835 -38.176 -15.044 1.00 36.54 C ATOM 1496 OXT LEU A 94 -16.610 -35.962 -12.747 1.00 34.34 O ATOM 0 H LEU A 94 -17.304 -33.722 -14.815 1.00 31.26 H new ATOM 0 HA LEU A 94 -19.514 -34.761 -13.331 1.00 33.02 H new ATOM 0 HB2 LEU A 94 -19.242 -34.894 -15.781 1.00 33.58 H new ATOM 0 HB3 LEU A 94 -17.817 -35.895 -15.581 1.00 33.58 H new ATOM 0 HG LEU A 94 -20.247 -36.831 -14.147 1.00 35.26 H new ATOM 0 HD11 LEU A 94 -21.212 -37.814 -16.252 1.00 35.44 H new ATOM 0 HD12 LEU A 94 -21.207 -36.036 -16.311 1.00 35.44 H new ATOM 0 HD13 LEU A 94 -19.972 -36.959 -17.200 1.00 35.44 H new ATOM 0 HD21 LEU A 94 -19.501 -39.038 -14.998 1.00 36.54 H new ATOM 0 HD22 LEU A 94 -18.229 -38.234 -15.948 1.00 36.54 H new ATOM 0 HD23 LEU A 94 -18.184 -38.173 -14.170 1.00 36.54 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.478 -0.417 5.824 1.00 0.34 FE HETATM 1510 CHA HEM A 95 11.120 -0.517 8.016 1.00 0.45 C HETATM 1511 CHB HEM A 95 6.250 -0.248 8.493 1.00 0.30 C HETATM 1512 CHC HEM A 95 5.809 -0.515 3.600 1.00 0.45 C HETATM 1513 CHD HEM A 95 10.684 -0.314 3.115 1.00 0.44 C HETATM 1514 NA HEM A 95 8.647 -0.414 7.883 1.00 0.33 N HETATM 1515 C1A HEM A 95 9.829 -0.496 8.546 1.00 0.39 C HETATM 1516 C2A HEM A 95 9.537 -0.576 9.957 1.00 0.41 C HETATM 1517 C3A HEM A 95 8.174 -0.415 10.103 1.00 0.36 C HETATM 1518 C4A HEM A 95 7.612 -0.346 8.773 1.00 0.31 C HETATM 1519 CMA HEM A 95 7.396 -0.343 11.400 1.00 0.40 C HETATM 1520 CAA HEM A 95 10.566 -0.853 11.035 1.00 0.49 C HETATM 1521 CBA HEM A 95 11.560 0.292 11.280 1.00 2.03 C HETATM 1522 CGA HEM A 95 12.950 -0.223 11.640 1.00 2.36 C HETATM 1523 O1A HEM A 95 13.914 0.226 10.982 1.00 3.40 O HETATM 1524 O2A HEM A 95 13.024 -1.061 12.564 1.00 2.60 O HETATM 1525 NB HEM A 95 6.430 -0.381 6.006 1.00 0.33 N HETATM 1526 C1B HEM A 95 5.742 -0.293 7.194 1.00 0.33 C HETATM 1527 C2B HEM A 95 4.334 -0.267 6.886 1.00 0.42 C HETATM 1528 C3B HEM A 95 4.232 -0.389 5.523 1.00 0.48 C HETATM 1529 C4B HEM A 95 5.552 -0.433 4.959 1.00 0.41 C HETATM 1530 CMB HEM A 95 3.229 -0.216 7.899 1.00 0.47 C HETATM 1531 CAB HEM A 95 2.954 -0.463 4.717 1.00 0.65 C HETATM 1532 CBB HEM A 95 1.975 -1.317 5.057 1.00 0.78 C HETATM 1533 NC HEM A 95 8.278 -0.387 3.735 1.00 0.38 N HETATM 1534 C1C HEM A 95 7.087 -0.463 3.070 1.00 0.42 C HETATM 1535 C2C HEM A 95 7.362 -0.504 1.656 1.00 0.49 C HETATM 1536 C3C HEM A 95 8.723 -0.358 1.525 1.00 0.47 C HETATM 1537 C4C HEM A 95 9.315 -0.344 2.842 1.00 0.42 C HETATM 1538 CMC HEM A 95 6.332 -0.734 0.582 1.00 0.59 C HETATM 1539 CAC HEM A 95 9.504 -0.376 0.225 1.00 0.53 C HETATM 1540 CBC HEM A 95 9.139 0.366 -0.843 1.00 0.86 C HETATM 1541 ND HEM A 95 10.530 -0.429 5.606 1.00 0.39 N HETATM 1542 C1D HEM A 95 11.201 -0.360 4.415 1.00 0.44 C HETATM 1543 C2D HEM A 95 12.605 -0.285 4.722 1.00 0.51 C HETATM 1544 C3D HEM A 95 12.735 -0.329 6.093 1.00 0.52 C HETATM 1545 C4D HEM A 95 11.407 -0.444 6.650 1.00 0.44 C HETATM 1546 CMD HEM A 95 13.704 -0.085 3.710 1.00 0.59 C HETATM 1547 CAD HEM A 95 14.025 -0.151 6.862 1.00 0.59 C HETATM 1548 CBD HEM A 95 14.933 -1.386 6.858 1.00 1.61 C HETATM 1549 CGD HEM A 95 14.492 -2.470 7.842 1.00 2.74 C HETATM 1550 O1D HEM A 95 13.276 -2.753 7.899 1.00 3.95 O HETATM 1551 O2D HEM A 95 15.395 -3.023 8.507 1.00 3.47 O HETATM 0 HMA1 HEM A 95 6.505 0.268 11.256 1.00 0.40 H new HETATM 0 HMA2 HEM A 95 8.020 0.102 12.175 1.00 0.40 H new HETATM 0 HMA3 HEM A 95 7.102 -1.348 11.704 1.00 0.40 H new HETATM 0 HMB1 HEM A 95 3.550 -0.715 8.813 1.00 0.47 H new HETATM 0 HMB2 HEM A 95 2.347 -0.719 7.501 1.00 0.47 H new HETATM 0 HMB3 HEM A 95 2.985 0.823 8.120 1.00 0.47 H new HETATM 0 HMC1 HEM A 95 6.635 -0.219 -0.329 1.00 0.59 H new HETATM 0 HMC2 HEM A 95 5.368 -0.347 0.913 1.00 0.59 H new HETATM 0 HMC3 HEM A 95 6.246 -1.802 0.384 1.00 0.59 H new HETATM 0 HMD1 HEM A 95 14.535 0.446 4.175 1.00 0.59 H new HETATM 0 HMD2 HEM A 95 13.324 0.499 2.871 1.00 0.59 H new HETATM 0 HMD3 HEM A 95 14.049 -1.055 3.351 1.00 0.59 H new HETATM 0 HBB1 HEM A 95 1.060 -1.359 4.467 1.00 0.78 H new HETATM 0 HBB2 HEM A 95 2.096 -1.968 5.923 1.00 0.78 H new HETATM 0 HBC1 HEM A 95 9.726 0.326 -1.760 1.00 0.86 H new HETATM 0 HBC2 HEM A 95 8.257 1.005 -0.787 1.00 0.86 H new HETATM 0 HBA1 HEM A 95 11.190 0.927 12.084 1.00 2.03 H new HETATM 0 HBA2 HEM A 95 11.624 0.913 10.387 1.00 2.03 H new HETATM 0 HAA1 HEM A 95 11.124 -1.749 10.764 1.00 0.49 H new HETATM 0 HAA2 HEM A 95 10.046 -1.071 11.968 1.00 0.49 H new HETATM 0 HBD1 HEM A 95 15.951 -1.080 7.099 1.00 1.61 H new HETATM 0 HBD2 HEM A 95 14.957 -1.807 5.853 1.00 1.61 H new HETATM 0 HAD1 HEM A 95 13.787 0.108 7.894 1.00 0.59 H new HETATM 0 HAD2 HEM A 95 14.574 0.691 6.440 1.00 0.59 H new HETATM 0 HHA HEM A 95 11.949 -0.594 8.704 1.00 0.45 H new HETATM 0 HHB HEM A 95 5.559 -0.132 9.315 1.00 0.30 H new HETATM 0 HHC HEM A 95 4.974 -0.624 2.923 1.00 0.45 H new HETATM 0 HHD HEM A 95 11.374 -0.253 2.287 1.00 0.44 H new HETATM 0 HAB HEM A 95 2.826 0.185 3.850 1.00 0.65 H new HETATM 0 HAC HEM A 95 10.389 -1.008 0.150 1.00 0.53 H new