USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN :FLIP amide:sc= -1.35 F(o=-2.4,f=-1.6) USER MOD Set 1.2: B 11 MET CE :methyl -154:sc= -0.242 (180deg=0) USER MOD Set 2.1: B 6 LYS NZ :NH3+ -163:sc= -2.44 (180deg=-1.55) USER MOD Set 2.2: B 7 THR OG1 : rot 98:sc= -0.694 USER MOD Set 3.1: B 2 THR OG1 : rot 180:sc= 0.706 USER MOD Set 3.2: B 3 LYS NZ :NH3+ -124:sc= -0.0628 (180deg=-1.09) USER MOD Set 4.1: B 1 MET N :NH3+ 167:sc= 0.372! (180deg=-0.177!) USER MOD Set 4.2: B 4 GLN : amide:sc= -0.0763 K(o=0.3,f=-8.6!) USER MOD Set 5.1: A 6 LYS NZ :NH3+ -109:sc= -1.24 (180deg=-3.45!) USER MOD Set 5.2: A 7 THR OG1 : rot 101:sc= 1.25 USER MOD Set 5.3: A 10 ASN : amide:sc= -0.635 K(o=-0.63,f=-6.8) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0269) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.326! (180deg=-1.24!) USER MOD Single : A 2 THR OG1 : rot 150:sc= -1.32 USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= -0.0295 (180deg=-0.384) USER MOD Single : A 4 GLN : amide:sc= -1.27! C(o=-1.3!,f=-5.9!) USER MOD Single : A 11 MET CE :methyl -142:sc= 0 (180deg=-0.00375) USER MOD Single : A 17 SER OG : rot 92:sc= 0.644 USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.925 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -4.69! (180deg=-5.99!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.122 F(o=-1.9!,f=-0.12) USER MOD Single : A 34 GLN : amide:sc= -4.31! C(o=-4.3!,f=-13!) USER MOD Single : A 38 CYS SG : rot -90:sc= -2.26! USER MOD Single : A 40 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 42 HIS :FLIP no HE2:sc= -2.25 F(o=-3.9,f=-2.3) USER MOD Single : A 44 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-2.4) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 102:sc= 0.62 USER MOD Single : A 52 CYS SG : rot 114:sc= -1.95! USER MOD Single : A 62 ASN : amide:sc= -0.65 X(o=-0.65,f=-0.68) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.104 K(o=-0.1,f=-6.5!) USER MOD Single : B 17 SER OG : rot -54:sc= 0.495 USER MOD Single : B 18 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.4!) USER MOD Single : B 19 THR OG1 : rot 93:sc= 0.718 USER MOD Single : B 21 THR OG1 : rot 101:sc= 0.715 USER MOD Single : B 25 LYS NZ :NH3+ -108:sc= -2.82! (180deg=-7.13!) USER MOD Single : B 27 ASN : amide:sc= 0.178 K(o=0.18,f=-0.74) USER MOD Single : B 34 GLN : amide:sc= -5.72! C(o=-5.7!,f=-12!) USER MOD Single : B 38 CYS SG : rot 50:sc= -2.03 USER MOD Single : B 40 SER OG : rot 87:sc= 0.466 USER MOD Single : B 42 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-4.4!) USER MOD Single : B 44 HIS : no HE2:sc= -4.42! C(o=-4.4!,f=-10!) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 97:sc= 0.863 USER MOD Single : B 52 CYS SG : rot 60:sc= 0.9 USER MOD Single : B 62 ASN :FLIP amide:sc= -0.493 F(o=-3.7!,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.471 -2.413 -2.966 1.00 3.37 N ATOM 2 CA MET A 1 -21.584 -3.270 -3.778 1.00 3.57 C ATOM 3 C MET A 1 -21.593 -2.686 -5.180 1.00 3.47 C ATOM 4 O MET A 1 -21.649 -3.424 -6.145 1.00 4.06 O ATOM 5 CB MET A 1 -22.104 -4.713 -3.858 1.00 3.97 C ATOM 6 CG MET A 1 -22.172 -5.333 -2.458 1.00 4.33 C ATOM 7 SD MET A 1 -20.602 -5.622 -1.603 1.00 4.83 S ATOM 8 CE MET A 1 -20.345 -7.320 -2.173 1.00 5.37 C ATOM 0 H1 MET A 1 -22.044 -2.260 -2.030 1.00 3.37 H new ATOM 0 H2 MET A 1 -22.600 -1.497 -3.442 1.00 3.37 H new ATOM 0 H3 MET A 1 -23.395 -2.878 -2.853 1.00 3.37 H new ATOM 0 HA MET A 1 -20.590 -3.297 -3.331 1.00 3.57 H new ATOM 0 HB2 MET A 1 -23.093 -4.725 -4.317 1.00 3.97 H new ATOM 0 HB3 MET A 1 -21.449 -5.308 -4.495 1.00 3.97 H new ATOM 0 HG2 MET A 1 -22.784 -4.684 -1.831 1.00 4.33 H new ATOM 0 HG3 MET A 1 -22.695 -6.286 -2.536 1.00 4.33 H new ATOM 0 HE1 MET A 1 -19.339 -7.644 -1.908 1.00 5.37 H new ATOM 0 HE2 MET A 1 -21.074 -7.977 -1.699 1.00 5.37 H new ATOM 0 HE3 MET A 1 -20.467 -7.363 -3.255 1.00 5.37 H new ATOM 20 N THR A 2 -21.540 -1.385 -5.265 1.00 2.92 N ATOM 21 CA THR A 2 -21.547 -0.751 -6.601 1.00 2.99 C ATOM 22 C THR A 2 -20.438 -1.382 -7.444 1.00 2.72 C ATOM 23 O THR A 2 -19.464 -1.889 -6.922 1.00 2.84 O ATOM 24 CB THR A 2 -21.299 0.737 -6.428 1.00 3.22 C ATOM 25 OG1 THR A 2 -22.058 1.051 -5.275 1.00 3.49 O ATOM 26 CG2 THR A 2 -22.005 1.533 -7.532 1.00 4.02 C ATOM 0 H THR A 2 -21.493 -0.744 -4.473 1.00 2.92 H new ATOM 0 HA THR A 2 -22.504 -0.900 -7.101 1.00 2.99 H new ATOM 0 HB THR A 2 -20.232 0.957 -6.410 1.00 3.22 H new ATOM 0 HG1 THR A 2 -21.634 1.794 -4.797 1.00 3.49 H new ATOM 0 HG21 THR A 2 -21.816 2.597 -7.391 1.00 4.02 H new ATOM 0 HG22 THR A 2 -21.624 1.222 -8.505 1.00 4.02 H new ATOM 0 HG23 THR A 2 -23.078 1.346 -7.486 1.00 4.02 H new ATOM 34 N LYS A 3 -20.610 -1.332 -8.735 1.00 2.63 N ATOM 35 CA LYS A 3 -19.572 -1.924 -9.618 1.00 2.60 C ATOM 36 C LYS A 3 -18.288 -1.184 -9.284 1.00 2.17 C ATOM 37 O LYS A 3 -17.205 -1.733 -9.283 1.00 2.07 O ATOM 38 CB LYS A 3 -19.902 -1.681 -11.084 1.00 3.03 C ATOM 39 CG LYS A 3 -21.376 -2.023 -11.364 1.00 3.61 C ATOM 40 CD LYS A 3 -21.631 -1.858 -12.870 1.00 3.98 C ATOM 41 CE LYS A 3 -23.148 -1.940 -13.132 1.00 4.65 C ATOM 42 NZ LYS A 3 -23.732 -3.171 -12.521 1.00 4.95 N ATOM 0 H LYS A 3 -21.410 -0.914 -9.209 1.00 2.63 H new ATOM 0 HA LYS A 3 -19.500 -3.001 -9.465 1.00 2.60 H new ATOM 0 HB2 LYS A 3 -19.709 -0.639 -11.339 1.00 3.03 H new ATOM 0 HB3 LYS A 3 -19.254 -2.289 -11.715 1.00 3.03 H new ATOM 0 HG2 LYS A 3 -21.595 -3.044 -11.051 1.00 3.61 H new ATOM 0 HG3 LYS A 3 -22.033 -1.367 -10.793 1.00 3.61 H new ATOM 0 HD2 LYS A 3 -21.240 -0.901 -13.216 1.00 3.98 H new ATOM 0 HD3 LYS A 3 -21.110 -2.636 -13.428 1.00 3.98 H new ATOM 0 HE2 LYS A 3 -23.640 -1.058 -12.722 1.00 4.65 H new ATOM 0 HE3 LYS A 3 -23.336 -1.939 -14.206 1.00 4.65 H new ATOM 0 HZ1 LYS A 3 -24.673 -3.348 -12.928 1.00 4.95 H new ATOM 0 HZ2 LYS A 3 -23.112 -3.983 -12.716 1.00 4.95 H new ATOM 0 HZ3 LYS A 3 -23.819 -3.041 -11.493 1.00 4.95 H new ATOM 56 N GLN A 4 -18.479 0.071 -9.009 1.00 2.02 N ATOM 57 CA GLN A 4 -17.334 0.940 -8.665 1.00 1.74 C ATOM 58 C GLN A 4 -16.681 0.397 -7.414 1.00 1.34 C ATOM 59 O GLN A 4 -15.482 0.219 -7.376 1.00 1.25 O ATOM 60 CB GLN A 4 -17.832 2.368 -8.416 1.00 1.87 C ATOM 61 CG GLN A 4 -18.132 3.083 -9.748 1.00 2.66 C ATOM 62 CD GLN A 4 -19.071 2.243 -10.617 1.00 3.34 C ATOM 63 OE1 GLN A 4 -20.151 1.869 -10.206 1.00 3.63 O ATOM 64 NE2 GLN A 4 -18.696 1.920 -11.825 1.00 4.09 N ATOM 0 H GLN A 4 -19.388 0.533 -9.009 1.00 2.02 H new ATOM 0 HA GLN A 4 -16.613 0.957 -9.482 1.00 1.74 H new ATOM 0 HB2 GLN A 4 -18.732 2.342 -7.801 1.00 1.87 H new ATOM 0 HB3 GLN A 4 -17.081 2.928 -7.859 1.00 1.87 H new ATOM 0 HG2 GLN A 4 -18.584 4.055 -9.550 1.00 2.66 H new ATOM 0 HG3 GLN A 4 -17.201 3.268 -10.284 1.00 2.66 H new ATOM 0 HE21 GLN A 4 -17.791 2.230 -12.178 1.00 4.09 H new ATOM 0 HE22 GLN A 4 -19.308 1.358 -12.416 1.00 4.09 H new ATOM 73 N GLU A 5 -17.486 0.148 -6.424 1.00 1.21 N ATOM 74 CA GLU A 5 -16.932 -0.380 -5.156 1.00 0.96 C ATOM 75 C GLU A 5 -16.168 -1.656 -5.402 1.00 0.95 C ATOM 76 O GLU A 5 -15.121 -1.868 -4.831 1.00 0.82 O ATOM 77 CB GLU A 5 -18.045 -0.675 -4.200 1.00 1.13 C ATOM 78 CG GLU A 5 -18.705 0.623 -3.801 1.00 1.56 C ATOM 79 CD GLU A 5 -19.741 0.259 -2.761 1.00 1.97 C ATOM 80 OE1 GLU A 5 -20.178 -0.875 -2.802 1.00 2.36 O ATOM 81 OE2 GLU A 5 -20.035 1.137 -1.982 1.00 2.53 O ATOM 0 H GLU A 5 -18.496 0.287 -6.439 1.00 1.21 H new ATOM 0 HA GLU A 5 -16.263 0.373 -4.739 1.00 0.96 H new ATOM 0 HB2 GLU A 5 -18.773 -1.341 -4.663 1.00 1.13 H new ATOM 0 HB3 GLU A 5 -17.659 -1.188 -3.319 1.00 1.13 H new ATOM 0 HG2 GLU A 5 -17.975 1.324 -3.396 1.00 1.56 H new ATOM 0 HG3 GLU A 5 -19.168 1.106 -4.661 1.00 1.56 H new ATOM 88 N LYS A 6 -16.713 -2.481 -6.245 1.00 1.22 N ATOM 89 CA LYS A 6 -16.023 -3.759 -6.534 1.00 1.36 C ATOM 90 C LYS A 6 -14.639 -3.419 -7.054 1.00 1.20 C ATOM 91 O LYS A 6 -13.653 -4.023 -6.687 1.00 1.18 O ATOM 92 CB LYS A 6 -16.779 -4.533 -7.607 1.00 1.75 C ATOM 93 CG LYS A 6 -16.016 -5.839 -7.930 1.00 2.49 C ATOM 94 CD LYS A 6 -16.310 -6.316 -9.365 1.00 2.98 C ATOM 95 CE LYS A 6 -15.896 -5.223 -10.392 1.00 3.67 C ATOM 96 NZ LYS A 6 -14.563 -4.641 -10.067 1.00 3.78 N ATOM 0 H LYS A 6 -17.592 -2.329 -6.739 1.00 1.22 H new ATOM 0 HA LYS A 6 -15.970 -4.371 -5.634 1.00 1.36 H new ATOM 0 HB2 LYS A 6 -17.787 -4.763 -7.263 1.00 1.75 H new ATOM 0 HB3 LYS A 6 -16.880 -3.926 -8.506 1.00 1.75 H new ATOM 0 HG2 LYS A 6 -14.945 -5.676 -7.810 1.00 2.49 H new ATOM 0 HG3 LYS A 6 -16.302 -6.615 -7.220 1.00 2.49 H new ATOM 0 HD2 LYS A 6 -15.767 -7.239 -9.567 1.00 2.98 H new ATOM 0 HD3 LYS A 6 -17.371 -6.541 -9.471 1.00 2.98 H new ATOM 0 HE2 LYS A 6 -15.871 -5.654 -11.393 1.00 3.67 H new ATOM 0 HE3 LYS A 6 -16.646 -4.432 -10.404 1.00 3.67 H new ATOM 0 HZ1 LYS A 6 -14.684 -3.667 -9.723 1.00 3.78 H new ATOM 0 HZ2 LYS A 6 -14.104 -5.214 -9.331 1.00 3.78 H new ATOM 0 HZ3 LYS A 6 -13.969 -4.635 -10.921 1.00 3.78 H new ATOM 110 N THR A 7 -14.591 -2.451 -7.911 1.00 1.23 N ATOM 111 CA THR A 7 -13.277 -2.091 -8.468 1.00 1.25 C ATOM 112 C THR A 7 -12.382 -1.506 -7.374 1.00 0.98 C ATOM 113 O THR A 7 -11.213 -1.816 -7.316 1.00 0.93 O ATOM 114 CB THR A 7 -13.563 -1.113 -9.585 1.00 1.53 C ATOM 115 OG1 THR A 7 -14.680 -1.737 -10.210 1.00 1.77 O ATOM 116 CG2 THR A 7 -12.458 -1.155 -10.653 1.00 1.82 C ATOM 0 H THR A 7 -15.386 -1.905 -8.243 1.00 1.23 H new ATOM 0 HA THR A 7 -12.732 -2.951 -8.857 1.00 1.25 H new ATOM 0 HB THR A 7 -13.676 -0.091 -9.222 1.00 1.53 H new ATOM 0 HG1 THR A 7 -15.505 -1.287 -9.930 1.00 1.77 H new ATOM 0 HG21 THR A 7 -12.689 -0.442 -11.444 1.00 1.82 H new ATOM 0 HG22 THR A 7 -11.502 -0.895 -10.198 1.00 1.82 H new ATOM 0 HG23 THR A 7 -12.398 -2.158 -11.075 1.00 1.82 H new ATOM 124 N ALA A 8 -12.929 -0.687 -6.524 1.00 0.87 N ATOM 125 CA ALA A 8 -12.078 -0.087 -5.460 1.00 0.79 C ATOM 126 C ALA A 8 -11.599 -1.194 -4.550 1.00 0.62 C ATOM 127 O ALA A 8 -10.521 -1.146 -3.995 1.00 0.70 O ATOM 128 CB ALA A 8 -12.884 0.909 -4.638 1.00 0.81 C ATOM 0 H ALA A 8 -13.911 -0.410 -6.517 1.00 0.87 H new ATOM 0 HA ALA A 8 -11.236 0.430 -5.919 1.00 0.79 H new ATOM 0 HB1 ALA A 8 -12.249 1.340 -3.864 1.00 0.81 H new ATOM 0 HB2 ALA A 8 -13.253 1.702 -5.288 1.00 0.81 H new ATOM 0 HB3 ALA A 8 -13.728 0.399 -4.173 1.00 0.81 H new ATOM 134 N LEU A 9 -12.441 -2.171 -4.433 1.00 0.59 N ATOM 135 CA LEU A 9 -12.124 -3.320 -3.561 1.00 0.73 C ATOM 136 C LEU A 9 -10.940 -3.998 -4.222 1.00 0.60 C ATOM 137 O LEU A 9 -10.008 -4.446 -3.584 1.00 0.61 O ATOM 138 CB LEU A 9 -13.347 -4.243 -3.516 1.00 1.09 C ATOM 139 CG LEU A 9 -13.180 -5.343 -2.473 1.00 1.65 C ATOM 140 CD1 LEU A 9 -13.178 -4.760 -1.054 1.00 1.96 C ATOM 141 CD2 LEU A 9 -14.338 -6.341 -2.610 1.00 2.37 C ATOM 0 H LEU A 9 -13.342 -2.223 -4.908 1.00 0.59 H new ATOM 0 HA LEU A 9 -11.886 -3.041 -2.535 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -14.238 -3.657 -3.289 1.00 1.09 H new ATOM 0 HB3 LEU A 9 -13.502 -4.691 -4.497 1.00 1.09 H new ATOM 0 HG LEU A 9 -12.226 -5.842 -2.641 1.00 1.65 H new ATOM 0 HD11 LEU A 9 -13.058 -5.566 -0.330 1.00 1.96 H new ATOM 0 HD12 LEU A 9 -12.354 -4.054 -0.952 1.00 1.96 H new ATOM 0 HD13 LEU A 9 -14.121 -4.245 -0.871 1.00 1.96 H new ATOM 0 HD21 LEU A 9 -14.227 -7.131 -1.868 1.00 2.37 H new ATOM 0 HD22 LEU A 9 -15.284 -5.824 -2.451 1.00 2.37 H new ATOM 0 HD23 LEU A 9 -14.326 -6.777 -3.609 1.00 2.37 H new ATOM 153 N ASN A 10 -11.009 -4.049 -5.519 1.00 0.60 N ATOM 154 CA ASN A 10 -9.902 -4.702 -6.257 1.00 0.63 C ATOM 155 C ASN A 10 -8.662 -3.854 -6.101 1.00 0.57 C ATOM 156 O ASN A 10 -7.571 -4.378 -6.017 1.00 0.57 O ATOM 157 CB ASN A 10 -10.226 -4.817 -7.749 1.00 0.76 C ATOM 158 CG ASN A 10 -11.505 -5.640 -7.945 1.00 1.34 C ATOM 159 OD1 ASN A 10 -12.259 -5.419 -8.875 1.00 1.67 O ATOM 160 ND2 ASN A 10 -11.794 -6.594 -7.103 1.00 2.15 N ATOM 0 H ASN A 10 -11.767 -3.675 -6.089 1.00 0.60 H new ATOM 0 HA ASN A 10 -9.753 -5.704 -5.854 1.00 0.63 H new ATOM 0 HB2 ASN A 10 -10.353 -3.824 -8.180 1.00 0.76 H new ATOM 0 HB3 ASN A 10 -9.396 -5.289 -8.275 1.00 0.76 H new ATOM 0 HD21 ASN A 10 -12.643 -7.145 -7.228 1.00 2.15 H new ATOM 0 HD22 ASN A 10 -11.170 -6.789 -6.320 1.00 2.15 H new ATOM 167 N MET A 11 -8.843 -2.566 -6.064 1.00 0.60 N ATOM 168 CA MET A 11 -7.648 -1.697 -5.927 1.00 0.65 C ATOM 169 C MET A 11 -7.000 -1.955 -4.591 1.00 0.62 C ATOM 170 O MET A 11 -5.793 -1.978 -4.494 1.00 0.68 O ATOM 171 CB MET A 11 -8.021 -0.213 -5.988 1.00 0.77 C ATOM 172 CG MET A 11 -8.525 0.134 -7.387 1.00 1.18 C ATOM 173 SD MET A 11 -7.416 -0.225 -8.772 1.00 1.98 S ATOM 174 CE MET A 11 -6.234 1.120 -8.504 1.00 2.42 C ATOM 0 H MET A 11 -9.742 -2.088 -6.121 1.00 0.60 H new ATOM 0 HA MET A 11 -6.972 -1.929 -6.750 1.00 0.65 H new ATOM 0 HB2 MET A 11 -8.790 0.009 -5.248 1.00 0.77 H new ATOM 0 HB3 MET A 11 -7.154 0.400 -5.741 1.00 0.77 H new ATOM 0 HG2 MET A 11 -9.459 -0.402 -7.553 1.00 1.18 H new ATOM 0 HG3 MET A 11 -8.760 1.198 -7.408 1.00 1.18 H new ATOM 0 HE1 MET A 11 -5.914 1.521 -9.466 1.00 2.42 H new ATOM 0 HE2 MET A 11 -6.708 1.910 -7.921 1.00 2.42 H new ATOM 0 HE3 MET A 11 -5.367 0.740 -7.963 1.00 2.42 H new ATOM 184 N ALA A 12 -7.800 -2.145 -3.584 1.00 0.58 N ATOM 185 CA ALA A 12 -7.193 -2.392 -2.251 1.00 0.62 C ATOM 186 C ALA A 12 -6.351 -3.643 -2.355 1.00 0.56 C ATOM 187 O ALA A 12 -5.222 -3.697 -1.909 1.00 0.57 O ATOM 188 CB ALA A 12 -8.274 -2.616 -1.205 1.00 0.67 C ATOM 0 H ALA A 12 -8.819 -2.141 -3.621 1.00 0.58 H new ATOM 0 HA ALA A 12 -6.594 -1.531 -1.955 1.00 0.62 H new ATOM 0 HB1 ALA A 12 -7.810 -2.795 -0.235 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -8.911 -1.733 -1.145 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -8.877 -3.480 -1.484 1.00 0.67 H new ATOM 194 N ARG A 13 -6.939 -4.631 -2.961 1.00 0.53 N ATOM 195 CA ARG A 13 -6.203 -5.907 -3.104 1.00 0.50 C ATOM 196 C ARG A 13 -5.013 -5.652 -4.016 1.00 0.49 C ATOM 197 O ARG A 13 -4.022 -6.349 -3.950 1.00 0.51 O ATOM 198 CB ARG A 13 -7.145 -6.960 -3.714 1.00 0.51 C ATOM 199 CG ARG A 13 -6.518 -8.363 -3.727 1.00 0.61 C ATOM 200 CD ARG A 13 -6.217 -8.812 -2.281 1.00 1.07 C ATOM 201 NE ARG A 13 -7.372 -8.492 -1.391 1.00 1.86 N ATOM 202 CZ ARG A 13 -8.300 -9.393 -1.165 1.00 2.52 C ATOM 203 NH1 ARG A 13 -8.808 -10.023 -2.202 1.00 3.08 N ATOM 204 NH2 ARG A 13 -8.677 -9.621 0.078 1.00 3.15 N ATOM 0 H ARG A 13 -7.879 -4.611 -3.356 1.00 0.53 H new ATOM 0 HA ARG A 13 -5.853 -6.277 -2.140 1.00 0.50 H new ATOM 0 HB2 ARG A 13 -8.075 -6.985 -3.146 1.00 0.51 H new ATOM 0 HB3 ARG A 13 -7.401 -6.669 -4.733 1.00 0.51 H new ATOM 0 HG2 ARG A 13 -7.196 -9.071 -4.204 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -5.600 -8.356 -4.314 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -6.018 -9.883 -2.259 1.00 1.07 H new ATOM 0 HD3 ARG A 13 -5.319 -8.313 -1.917 1.00 1.07 H new ATOM 0 HE ARG A 13 -7.440 -7.571 -0.957 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -8.479 -9.805 -3.143 1.00 3.08 H new ATOM 0 HH12 ARG A 13 -9.531 -10.730 -2.066 1.00 3.08 H new ATOM 0 HH21 ARG A 13 -8.249 -9.101 0.844 1.00 3.15 H new ATOM 0 HH22 ARG A 13 -9.397 -10.317 0.273 1.00 3.15 H new ATOM 218 N PHE A 14 -5.120 -4.663 -4.855 1.00 0.52 N ATOM 219 CA PHE A 14 -3.970 -4.407 -5.751 1.00 0.54 C ATOM 220 C PHE A 14 -2.848 -3.873 -4.895 1.00 0.57 C ATOM 221 O PHE A 14 -1.705 -4.206 -5.115 1.00 0.59 O ATOM 222 CB PHE A 14 -4.307 -3.359 -6.813 1.00 0.62 C ATOM 223 CG PHE A 14 -3.072 -3.197 -7.702 1.00 1.17 C ATOM 224 CD1 PHE A 14 -2.819 -4.104 -8.712 1.00 2.02 C ATOM 225 CD2 PHE A 14 -2.195 -2.146 -7.503 1.00 1.81 C ATOM 226 CE1 PHE A 14 -1.705 -3.966 -9.513 1.00 2.69 C ATOM 227 CE2 PHE A 14 -1.079 -2.006 -8.306 1.00 2.50 C ATOM 228 CZ PHE A 14 -0.834 -2.918 -9.311 1.00 2.71 C ATOM 0 H PHE A 14 -5.923 -4.043 -4.957 1.00 0.52 H new ATOM 0 HA PHE A 14 -3.699 -5.331 -6.261 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -5.167 -3.674 -7.404 1.00 0.62 H new ATOM 0 HB3 PHE A 14 -4.571 -2.410 -6.346 1.00 0.62 H new ATOM 0 HD1 PHE A 14 -3.498 -4.927 -8.876 1.00 2.02 H new ATOM 0 HD2 PHE A 14 -2.383 -1.431 -6.716 1.00 1.81 H new ATOM 0 HE1 PHE A 14 -1.515 -4.681 -10.300 1.00 2.69 H new ATOM 0 HE2 PHE A 14 -0.399 -1.182 -8.146 1.00 2.50 H new ATOM 0 HZ PHE A 14 0.039 -2.811 -9.938 1.00 2.71 H new ATOM 238 N ILE A 15 -3.186 -3.060 -3.935 1.00 0.58 N ATOM 239 CA ILE A 15 -2.108 -2.514 -3.081 1.00 0.63 C ATOM 240 C ILE A 15 -1.452 -3.696 -2.391 1.00 0.59 C ATOM 241 O ILE A 15 -0.246 -3.743 -2.277 1.00 0.62 O ATOM 242 CB ILE A 15 -2.694 -1.552 -2.031 1.00 0.69 C ATOM 243 CG1 ILE A 15 -3.554 -0.453 -2.682 1.00 0.79 C ATOM 244 CG2 ILE A 15 -1.548 -0.890 -1.251 1.00 0.82 C ATOM 245 CD1 ILE A 15 -2.773 0.297 -3.766 1.00 0.93 C ATOM 0 H ILE A 15 -4.135 -2.759 -3.712 1.00 0.58 H new ATOM 0 HA ILE A 15 -1.386 -1.956 -3.678 1.00 0.63 H new ATOM 0 HB ILE A 15 -3.330 -2.134 -1.363 1.00 0.69 H new ATOM 0 HG12 ILE A 15 -4.448 -0.899 -3.118 1.00 0.79 H new ATOM 0 HG13 ILE A 15 -3.888 0.250 -1.919 1.00 0.79 H new ATOM 0 HG21 ILE A 15 -1.960 -0.208 -0.507 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -0.957 -1.658 -0.752 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -0.913 -0.334 -1.940 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -3.408 1.066 -4.206 1.00 0.93 H new ATOM 0 HD12 ILE A 15 -1.893 0.763 -3.324 1.00 0.93 H new ATOM 0 HD13 ILE A 15 -2.462 -0.404 -4.541 1.00 0.93 H new ATOM 257 N ARG A 16 -2.250 -4.625 -1.944 1.00 0.58 N ATOM 258 CA ARG A 16 -1.647 -5.803 -1.267 1.00 0.58 C ATOM 259 C ARG A 16 -0.628 -6.421 -2.217 1.00 0.55 C ATOM 260 O ARG A 16 0.509 -6.668 -1.869 1.00 0.56 O ATOM 261 CB ARG A 16 -2.749 -6.841 -0.933 1.00 0.60 C ATOM 262 CG ARG A 16 -2.081 -8.157 -0.520 1.00 0.82 C ATOM 263 CD ARG A 16 -3.121 -9.241 -0.213 1.00 1.04 C ATOM 264 NE ARG A 16 -3.985 -8.795 0.909 1.00 1.57 N ATOM 265 CZ ARG A 16 -3.816 -9.359 2.083 1.00 2.08 C ATOM 266 NH1 ARG A 16 -2.598 -9.409 2.578 1.00 2.60 N ATOM 267 NH2 ARG A 16 -4.866 -9.843 2.711 1.00 2.68 N ATOM 0 H ARG A 16 -3.267 -4.621 -2.015 1.00 0.58 H new ATOM 0 HA ARG A 16 -1.165 -5.499 -0.338 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -3.384 -6.471 -0.128 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -3.392 -7.000 -1.799 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -1.422 -8.499 -1.319 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -1.457 -7.990 0.358 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -3.728 -9.439 -1.097 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -2.623 -10.175 0.047 1.00 1.04 H new ATOM 0 HE ARG A 16 -4.690 -8.071 0.772 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -1.817 -9.016 2.052 1.00 2.60 H new ATOM 0 HH12 ARG A 16 -2.434 -9.841 3.488 1.00 2.60 H new ATOM 0 HH21 ARG A 16 -5.790 -9.776 2.285 1.00 2.68 H new ATOM 0 HH22 ARG A 16 -4.756 -10.285 3.624 1.00 2.68 H new ATOM 281 N SER A 17 -1.080 -6.648 -3.410 1.00 0.57 N ATOM 282 CA SER A 17 -0.200 -7.268 -4.420 1.00 0.60 C ATOM 283 C SER A 17 0.977 -6.375 -4.815 1.00 0.56 C ATOM 284 O SER A 17 2.016 -6.867 -5.201 1.00 0.55 O ATOM 285 CB SER A 17 -1.070 -7.580 -5.610 1.00 0.68 C ATOM 286 OG SER A 17 -2.194 -8.186 -4.984 1.00 0.72 O ATOM 0 H SER A 17 -2.024 -6.430 -3.729 1.00 0.57 H new ATOM 0 HA SER A 17 0.256 -8.168 -4.009 1.00 0.60 H new ATOM 0 HB2 SER A 17 -1.343 -6.683 -6.166 1.00 0.68 H new ATOM 0 HB3 SER A 17 -0.579 -8.253 -6.313 1.00 0.68 H new ATOM 0 HG SER A 17 -2.866 -7.501 -4.785 1.00 0.72 H new ATOM 292 N GLN A 18 0.811 -5.089 -4.715 1.00 0.57 N ATOM 293 CA GLN A 18 1.935 -4.213 -5.117 1.00 0.57 C ATOM 294 C GLN A 18 2.970 -4.488 -4.053 1.00 0.51 C ATOM 295 O GLN A 18 4.119 -4.761 -4.331 1.00 0.51 O ATOM 296 CB GLN A 18 1.470 -2.745 -5.089 1.00 0.65 C ATOM 297 CG GLN A 18 2.341 -1.877 -6.012 1.00 0.91 C ATOM 298 CD GLN A 18 3.737 -1.707 -5.411 1.00 1.11 C ATOM 299 OE1 GLN A 18 3.943 -0.728 -4.574 1.00 1.80 O flip ATOM 300 NE2 GLN A 18 4.645 -2.458 -5.700 1.00 1.05 N flip ATOM 0 H GLN A 18 -0.030 -4.618 -4.382 1.00 0.57 H new ATOM 0 HA GLN A 18 2.315 -4.394 -6.123 1.00 0.57 H new ATOM 0 HB2 GLN A 18 0.428 -2.683 -5.402 1.00 0.65 H new ATOM 0 HB3 GLN A 18 1.520 -2.363 -4.069 1.00 0.65 H new ATOM 0 HG2 GLN A 18 2.414 -2.339 -6.996 1.00 0.91 H new ATOM 0 HG3 GLN A 18 1.876 -0.901 -6.152 1.00 0.91 H new ATOM 0 HE21 GLN A 18 4.485 -3.224 -6.354 1.00 1.05 H new ATOM 0 HE22 GLN A 18 5.569 -2.324 -5.289 1.00 1.05 H new ATOM 309 N THR A 19 2.506 -4.416 -2.845 1.00 0.48 N ATOM 310 CA THR A 19 3.395 -4.661 -1.701 1.00 0.44 C ATOM 311 C THR A 19 4.045 -6.038 -1.841 1.00 0.43 C ATOM 312 O THR A 19 5.117 -6.264 -1.321 1.00 0.46 O ATOM 313 CB THR A 19 2.529 -4.552 -0.465 1.00 0.46 C ATOM 314 OG1 THR A 19 1.904 -3.285 -0.619 1.00 0.56 O ATOM 315 CG2 THR A 19 3.382 -4.433 0.788 1.00 0.48 C ATOM 0 H THR A 19 1.540 -4.196 -2.605 1.00 0.48 H new ATOM 0 HA THR A 19 4.212 -3.942 -1.643 1.00 0.44 H new ATOM 0 HB THR A 19 1.865 -5.411 -0.368 1.00 0.46 H new ATOM 0 HG1 THR A 19 1.041 -3.399 -1.069 1.00 0.56 H new ATOM 0 HG21 THR A 19 2.736 -4.356 1.662 1.00 0.48 H new ATOM 0 HG22 THR A 19 4.016 -5.315 0.882 1.00 0.48 H new ATOM 0 HG23 THR A 19 4.007 -3.543 0.719 1.00 0.48 H new ATOM 323 N LEU A 20 3.402 -6.935 -2.532 1.00 0.45 N ATOM 324 CA LEU A 20 4.036 -8.268 -2.663 1.00 0.51 C ATOM 325 C LEU A 20 5.193 -8.121 -3.633 1.00 0.53 C ATOM 326 O LEU A 20 6.287 -8.576 -3.375 1.00 0.57 O ATOM 327 CB LEU A 20 3.037 -9.280 -3.221 1.00 0.57 C ATOM 328 CG LEU A 20 3.685 -10.682 -3.311 1.00 0.69 C ATOM 329 CD1 LEU A 20 4.119 -11.184 -1.915 1.00 1.31 C ATOM 330 CD2 LEU A 20 2.658 -11.658 -3.899 1.00 1.25 C ATOM 0 H LEU A 20 2.501 -6.810 -2.994 1.00 0.45 H new ATOM 0 HA LEU A 20 4.375 -8.623 -1.690 1.00 0.51 H new ATOM 0 HB2 LEU A 20 2.155 -9.320 -2.582 1.00 0.57 H new ATOM 0 HB3 LEU A 20 2.701 -8.963 -4.208 1.00 0.57 H new ATOM 0 HG LEU A 20 4.570 -10.622 -3.944 1.00 0.69 H new ATOM 0 HD11 LEU A 20 4.571 -12.171 -2.008 1.00 1.31 H new ATOM 0 HD12 LEU A 20 4.845 -10.491 -1.489 1.00 1.31 H new ATOM 0 HD13 LEU A 20 3.248 -11.244 -1.263 1.00 1.31 H new ATOM 0 HD21 LEU A 20 3.099 -12.652 -3.969 1.00 1.25 H new ATOM 0 HD22 LEU A 20 1.781 -11.695 -3.253 1.00 1.25 H new ATOM 0 HD23 LEU A 20 2.363 -11.321 -4.893 1.00 1.25 H new ATOM 342 N THR A 21 4.919 -7.484 -4.731 1.00 0.59 N ATOM 343 CA THR A 21 5.985 -7.298 -5.739 1.00 0.70 C ATOM 344 C THR A 21 7.161 -6.597 -5.056 1.00 0.63 C ATOM 345 O THR A 21 8.315 -6.887 -5.305 1.00 0.69 O ATOM 346 CB THR A 21 5.383 -6.460 -6.849 1.00 0.85 C ATOM 347 OG1 THR A 21 4.098 -7.047 -7.005 1.00 0.87 O ATOM 348 CG2 THR A 21 6.091 -6.734 -8.187 1.00 1.02 C ATOM 0 H THR A 21 4.010 -7.088 -4.971 1.00 0.59 H new ATOM 0 HA THR A 21 6.355 -8.234 -6.157 1.00 0.70 H new ATOM 0 HB THR A 21 5.426 -5.395 -6.619 1.00 0.85 H new ATOM 0 HG1 THR A 21 3.607 -6.576 -7.710 1.00 0.87 H new ATOM 0 HG21 THR A 21 5.642 -6.121 -8.969 1.00 1.02 H new ATOM 0 HG22 THR A 21 7.149 -6.488 -8.096 1.00 1.02 H new ATOM 0 HG23 THR A 21 5.985 -7.787 -8.446 1.00 1.02 H new ATOM 356 N LEU A 22 6.832 -5.678 -4.197 1.00 0.54 N ATOM 357 CA LEU A 22 7.911 -4.953 -3.501 1.00 0.52 C ATOM 358 C LEU A 22 8.632 -5.945 -2.615 1.00 0.45 C ATOM 359 O LEU A 22 9.841 -6.005 -2.638 1.00 0.49 O ATOM 360 CB LEU A 22 7.295 -3.821 -2.671 1.00 0.59 C ATOM 361 CG LEU A 22 8.361 -3.115 -1.801 1.00 0.89 C ATOM 362 CD1 LEU A 22 9.583 -2.690 -2.642 1.00 1.71 C ATOM 363 CD2 LEU A 22 7.730 -1.854 -1.186 1.00 1.25 C ATOM 0 H LEU A 22 5.880 -5.405 -3.953 1.00 0.54 H new ATOM 0 HA LEU A 22 8.617 -4.513 -4.205 1.00 0.52 H new ATOM 0 HB2 LEU A 22 6.826 -3.095 -3.335 1.00 0.59 H new ATOM 0 HB3 LEU A 22 6.509 -4.223 -2.031 1.00 0.59 H new ATOM 0 HG LEU A 22 8.696 -3.810 -1.031 1.00 0.89 H new ATOM 0 HD11 LEU A 22 10.313 -2.197 -2.000 1.00 1.71 H new ATOM 0 HD12 LEU A 22 10.036 -3.571 -3.096 1.00 1.71 H new ATOM 0 HD13 LEU A 22 9.264 -2.001 -3.425 1.00 1.71 H new ATOM 0 HD21 LEU A 22 8.468 -1.342 -0.568 1.00 1.25 H new ATOM 0 HD22 LEU A 22 7.399 -1.188 -1.982 1.00 1.25 H new ATOM 0 HD23 LEU A 22 6.876 -2.137 -0.571 1.00 1.25 H new ATOM 375 N LEU A 23 7.863 -6.691 -1.872 1.00 0.43 N ATOM 376 CA LEU A 23 8.431 -7.707 -0.938 1.00 0.44 C ATOM 377 C LEU A 23 9.525 -8.471 -1.664 1.00 0.48 C ATOM 378 O LEU A 23 10.626 -8.628 -1.175 1.00 0.52 O ATOM 379 CB LEU A 23 7.336 -8.689 -0.511 1.00 0.53 C ATOM 380 CG LEU A 23 7.818 -9.604 0.627 1.00 0.73 C ATOM 381 CD1 LEU A 23 7.808 -8.828 1.951 1.00 1.08 C ATOM 382 CD2 LEU A 23 6.869 -10.804 0.733 1.00 1.05 C ATOM 0 H LEU A 23 6.844 -6.639 -1.872 1.00 0.43 H new ATOM 0 HA LEU A 23 8.833 -7.211 -0.055 1.00 0.44 H new ATOM 0 HB2 LEU A 23 6.455 -8.136 -0.187 1.00 0.53 H new ATOM 0 HB3 LEU A 23 7.035 -9.295 -1.365 1.00 0.53 H new ATOM 0 HG LEU A 23 8.832 -9.948 0.420 1.00 0.73 H new ATOM 0 HD11 LEU A 23 8.150 -9.478 2.756 1.00 1.08 H new ATOM 0 HD12 LEU A 23 8.472 -7.967 1.873 1.00 1.08 H new ATOM 0 HD13 LEU A 23 6.795 -8.487 2.165 1.00 1.08 H new ATOM 0 HD21 LEU A 23 7.201 -11.460 1.537 1.00 1.05 H new ATOM 0 HD22 LEU A 23 5.860 -10.452 0.945 1.00 1.05 H new ATOM 0 HD23 LEU A 23 6.871 -11.354 -0.208 1.00 1.05 H new ATOM 394 N GLU A 24 9.162 -8.920 -2.829 1.00 0.57 N ATOM 395 CA GLU A 24 10.104 -9.699 -3.665 1.00 0.71 C ATOM 396 C GLU A 24 11.377 -8.878 -3.824 1.00 0.67 C ATOM 397 O GLU A 24 12.455 -9.287 -3.444 1.00 0.69 O ATOM 398 CB GLU A 24 9.426 -9.950 -5.017 1.00 0.90 C ATOM 399 CG GLU A 24 10.172 -10.972 -5.853 1.00 1.37 C ATOM 400 CD GLU A 24 9.454 -10.993 -7.198 1.00 1.52 C ATOM 401 OE1 GLU A 24 8.282 -11.313 -7.164 1.00 1.84 O ATOM 402 OE2 GLU A 24 10.113 -10.677 -8.172 1.00 1.83 O ATOM 0 H GLU A 24 8.240 -8.777 -3.241 1.00 0.57 H new ATOM 0 HA GLU A 24 10.362 -10.658 -3.216 1.00 0.71 H new ATOM 0 HB2 GLU A 24 8.405 -10.295 -4.851 1.00 0.90 H new ATOM 0 HB3 GLU A 24 9.360 -9.012 -5.568 1.00 0.90 H new ATOM 0 HG2 GLU A 24 11.220 -10.695 -5.971 1.00 1.37 H new ATOM 0 HG3 GLU A 24 10.153 -11.955 -5.382 1.00 1.37 H new ATOM 409 N LYS A 25 11.206 -7.719 -4.385 1.00 0.67 N ATOM 410 CA LYS A 25 12.373 -6.828 -4.624 1.00 0.72 C ATOM 411 C LYS A 25 13.122 -6.512 -3.334 1.00 0.68 C ATOM 412 O LYS A 25 14.300 -6.227 -3.366 1.00 0.75 O ATOM 413 CB LYS A 25 11.868 -5.535 -5.261 1.00 0.81 C ATOM 414 CG LYS A 25 11.099 -5.861 -6.568 1.00 0.95 C ATOM 415 CD LYS A 25 12.068 -6.258 -7.692 1.00 1.36 C ATOM 416 CE LYS A 25 11.615 -7.612 -8.289 1.00 1.57 C ATOM 417 NZ LYS A 25 11.679 -8.691 -7.276 1.00 1.86 N ATOM 0 H LYS A 25 10.306 -7.347 -4.690 1.00 0.67 H new ATOM 0 HA LYS A 25 13.073 -7.338 -5.286 1.00 0.72 H new ATOM 0 HB2 LYS A 25 11.215 -5.007 -4.566 1.00 0.81 H new ATOM 0 HB3 LYS A 25 12.707 -4.873 -5.477 1.00 0.81 H new ATOM 0 HG2 LYS A 25 10.394 -6.673 -6.387 1.00 0.95 H new ATOM 0 HG3 LYS A 25 10.514 -4.994 -6.876 1.00 0.95 H new ATOM 0 HD2 LYS A 25 12.082 -5.491 -8.466 1.00 1.36 H new ATOM 0 HD3 LYS A 25 13.083 -6.338 -7.304 1.00 1.36 H new ATOM 0 HE2 LYS A 25 10.596 -7.524 -8.666 1.00 1.57 H new ATOM 0 HE3 LYS A 25 12.248 -7.868 -9.138 1.00 1.57 H new ATOM 0 HZ1 LYS A 25 11.689 -9.615 -7.753 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 12.545 -8.585 -6.710 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 10.848 -8.632 -6.653 1.00 1.86 H new ATOM 431 N LEU A 26 12.453 -6.563 -2.221 1.00 0.65 N ATOM 432 CA LEU A 26 13.183 -6.243 -0.973 1.00 0.67 C ATOM 433 C LEU A 26 14.083 -7.413 -0.655 1.00 0.65 C ATOM 434 O LEU A 26 15.162 -7.252 -0.127 1.00 0.73 O ATOM 435 CB LEU A 26 12.203 -6.034 0.189 1.00 0.68 C ATOM 436 CG LEU A 26 11.361 -4.754 -0.024 1.00 0.80 C ATOM 437 CD1 LEU A 26 10.337 -4.645 1.111 1.00 1.21 C ATOM 438 CD2 LEU A 26 12.252 -3.497 0.011 1.00 1.22 C ATOM 0 H LEU A 26 11.467 -6.804 -2.122 1.00 0.65 H new ATOM 0 HA LEU A 26 13.757 -5.326 -1.107 1.00 0.67 H new ATOM 0 HB2 LEU A 26 11.544 -6.898 0.274 1.00 0.68 H new ATOM 0 HB3 LEU A 26 12.754 -5.960 1.126 1.00 0.68 H new ATOM 0 HG LEU A 26 10.871 -4.818 -0.996 1.00 0.80 H new ATOM 0 HD11 LEU A 26 9.736 -3.746 0.974 1.00 1.21 H new ATOM 0 HD12 LEU A 26 9.688 -5.521 1.101 1.00 1.21 H new ATOM 0 HD13 LEU A 26 10.858 -4.590 2.067 1.00 1.21 H new ATOM 0 HD21 LEU A 26 11.636 -2.610 -0.141 1.00 1.22 H new ATOM 0 HD22 LEU A 26 12.750 -3.431 0.978 1.00 1.22 H new ATOM 0 HD23 LEU A 26 13.000 -3.559 -0.779 1.00 1.22 H new ATOM 450 N ASN A 27 13.622 -8.580 -0.986 1.00 0.60 N ATOM 451 CA ASN A 27 14.474 -9.760 -0.686 1.00 0.66 C ATOM 452 C ASN A 27 15.697 -9.686 -1.573 1.00 0.68 C ATOM 453 O ASN A 27 16.805 -9.926 -1.141 1.00 0.79 O ATOM 454 CB ASN A 27 13.739 -11.068 -0.988 1.00 0.76 C ATOM 455 CG ASN A 27 12.651 -11.326 0.061 1.00 1.02 C ATOM 456 OD1 ASN A 27 11.919 -10.339 0.504 1.00 1.70 O flip ATOM 457 ND2 ASN A 27 12.458 -12.444 0.493 1.00 1.70 N flip ATOM 0 H ASN A 27 12.726 -8.768 -1.435 1.00 0.60 H new ATOM 0 HA ASN A 27 14.737 -9.747 0.372 1.00 0.66 H new ATOM 0 HB2 ASN A 27 13.291 -11.020 -1.981 1.00 0.76 H new ATOM 0 HB3 ASN A 27 14.447 -11.896 -0.997 1.00 0.76 H new ATOM 0 HD21 ASN A 27 13.021 -13.225 0.157 1.00 1.70 H new ATOM 0 HD22 ASN A 27 11.732 -12.602 1.192 1.00 1.70 H new ATOM 464 N GLU A 28 15.452 -9.350 -2.804 1.00 0.70 N ATOM 465 CA GLU A 28 16.573 -9.262 -3.773 1.00 0.83 C ATOM 466 C GLU A 28 17.603 -8.221 -3.371 1.00 0.86 C ATOM 467 O GLU A 28 18.793 -8.455 -3.430 1.00 0.97 O ATOM 468 CB GLU A 28 16.032 -8.885 -5.136 1.00 1.00 C ATOM 469 CG GLU A 28 14.997 -9.908 -5.579 1.00 1.12 C ATOM 470 CD GLU A 28 14.465 -9.457 -6.929 1.00 1.86 C ATOM 471 OE1 GLU A 28 14.478 -8.259 -7.145 1.00 2.61 O ATOM 472 OE2 GLU A 28 14.067 -10.322 -7.682 1.00 2.24 O ATOM 0 H GLU A 28 14.529 -9.133 -3.180 1.00 0.70 H new ATOM 0 HA GLU A 28 17.057 -10.238 -3.792 1.00 0.83 H new ATOM 0 HB2 GLU A 28 15.583 -7.893 -5.098 1.00 1.00 H new ATOM 0 HB3 GLU A 28 16.845 -8.839 -5.860 1.00 1.00 H new ATOM 0 HG2 GLU A 28 15.444 -10.899 -5.654 1.00 1.12 H new ATOM 0 HG3 GLU A 28 14.189 -9.977 -4.851 1.00 1.12 H new ATOM 479 N LEU A 29 17.114 -7.086 -2.971 1.00 0.84 N ATOM 480 CA LEU A 29 18.057 -5.999 -2.609 1.00 0.98 C ATOM 481 C LEU A 29 18.472 -5.995 -1.154 1.00 1.03 C ATOM 482 O LEU A 29 18.759 -4.931 -0.648 1.00 1.19 O ATOM 483 CB LEU A 29 17.407 -4.664 -2.951 1.00 1.02 C ATOM 484 CG LEU A 29 16.912 -4.696 -4.414 1.00 1.07 C ATOM 485 CD1 LEU A 29 16.224 -3.368 -4.729 1.00 1.79 C ATOM 486 CD2 LEU A 29 18.095 -4.893 -5.373 1.00 1.43 C ATOM 0 H LEU A 29 16.122 -6.865 -2.880 1.00 0.84 H new ATOM 0 HA LEU A 29 18.970 -6.168 -3.180 1.00 0.98 H new ATOM 0 HB2 LEU A 29 16.573 -4.470 -2.277 1.00 1.02 H new ATOM 0 HB3 LEU A 29 18.122 -3.853 -2.815 1.00 1.02 H new ATOM 0 HG LEU A 29 16.215 -5.524 -4.541 1.00 1.07 H new ATOM 0 HD11 LEU A 29 15.870 -3.377 -5.760 1.00 1.79 H new ATOM 0 HD12 LEU A 29 15.378 -3.228 -4.056 1.00 1.79 H new ATOM 0 HD13 LEU A 29 16.933 -2.551 -4.597 1.00 1.79 H new ATOM 0 HD21 LEU A 29 17.731 -4.914 -6.400 1.00 1.43 H new ATOM 0 HD22 LEU A 29 18.800 -4.071 -5.254 1.00 1.43 H new ATOM 0 HD23 LEU A 29 18.594 -5.835 -5.146 1.00 1.43 H new ATOM 498 N ASP A 30 18.493 -7.146 -0.539 1.00 0.98 N ATOM 499 CA ASP A 30 18.908 -7.225 0.891 1.00 1.11 C ATOM 500 C ASP A 30 18.169 -6.163 1.660 1.00 1.16 C ATOM 501 O ASP A 30 18.711 -5.169 2.101 1.00 1.63 O ATOM 502 CB ASP A 30 20.405 -6.970 1.074 1.00 1.35 C ATOM 503 CG ASP A 30 20.680 -7.000 2.579 1.00 1.82 C ATOM 504 OD1 ASP A 30 20.208 -7.933 3.205 1.00 2.23 O ATOM 505 OD2 ASP A 30 21.345 -6.083 3.031 1.00 2.45 O ATOM 0 H ASP A 30 18.240 -8.037 -0.966 1.00 0.98 H new ATOM 0 HA ASP A 30 18.681 -8.230 1.248 1.00 1.11 H new ATOM 0 HB2 ASP A 30 20.992 -7.730 0.559 1.00 1.35 H new ATOM 0 HB3 ASP A 30 20.688 -6.007 0.649 1.00 1.35 H new ATOM 510 N ALA A 31 16.908 -6.406 1.787 1.00 0.84 N ATOM 511 CA ALA A 31 16.073 -5.446 2.538 1.00 0.87 C ATOM 512 C ALA A 31 15.075 -6.306 3.273 1.00 0.76 C ATOM 513 O ALA A 31 13.879 -6.121 3.194 1.00 0.75 O ATOM 514 CB ALA A 31 15.370 -4.504 1.565 1.00 0.89 C ATOM 0 H ALA A 31 16.420 -7.218 1.409 1.00 0.84 H new ATOM 0 HA ALA A 31 16.650 -4.822 3.220 1.00 0.87 H new ATOM 0 HB1 ALA A 31 14.755 -3.798 2.123 1.00 0.89 H new ATOM 0 HB2 ALA A 31 16.114 -3.958 0.985 1.00 0.89 H new ATOM 0 HB3 ALA A 31 14.738 -5.082 0.891 1.00 0.89 H new ATOM 520 N ASP A 32 15.631 -7.245 3.974 1.00 0.85 N ATOM 521 CA ASP A 32 14.796 -8.190 4.757 1.00 0.87 C ATOM 522 C ASP A 32 13.986 -7.476 5.822 1.00 0.79 C ATOM 523 O ASP A 32 12.795 -7.683 5.889 1.00 0.74 O ATOM 524 CB ASP A 32 15.690 -9.237 5.425 1.00 1.11 C ATOM 525 CG ASP A 32 16.867 -8.547 6.100 1.00 2.05 C ATOM 526 OD1 ASP A 32 17.804 -8.253 5.380 1.00 2.83 O ATOM 527 OD2 ASP A 32 16.790 -8.336 7.295 1.00 2.57 O ATOM 0 H ASP A 32 16.637 -7.401 4.040 1.00 0.85 H new ATOM 0 HA ASP A 32 14.103 -8.669 4.065 1.00 0.87 H new ATOM 0 HB2 ASP A 32 15.118 -9.804 6.159 1.00 1.11 H new ATOM 0 HB3 ASP A 32 16.050 -9.950 4.683 1.00 1.11 H new ATOM 532 N GLU A 33 14.604 -6.664 6.630 1.00 0.86 N ATOM 533 CA GLU A 33 13.810 -5.953 7.678 1.00 0.90 C ATOM 534 C GLU A 33 12.640 -5.250 7.011 1.00 0.78 C ATOM 535 O GLU A 33 11.509 -5.256 7.452 1.00 0.79 O ATOM 536 CB GLU A 33 14.624 -4.870 8.352 1.00 1.07 C ATOM 537 CG GLU A 33 15.875 -5.424 8.995 1.00 1.58 C ATOM 538 CD GLU A 33 16.787 -4.230 9.261 1.00 1.74 C ATOM 539 OE1 GLU A 33 17.087 -3.565 8.280 1.00 2.11 O ATOM 540 OE2 GLU A 33 17.128 -4.051 10.412 1.00 2.15 O ATOM 0 H GLU A 33 15.604 -6.461 6.616 1.00 0.86 H new ATOM 0 HA GLU A 33 13.494 -6.695 8.411 1.00 0.90 H new ATOM 0 HB2 GLU A 33 14.898 -4.112 7.618 1.00 1.07 H new ATOM 0 HB3 GLU A 33 14.015 -4.376 9.109 1.00 1.07 H new ATOM 0 HG2 GLU A 33 15.637 -5.945 9.922 1.00 1.58 H new ATOM 0 HG3 GLU A 33 16.362 -6.146 8.339 1.00 1.58 H new ATOM 547 N GLN A 34 12.992 -4.645 5.921 1.00 0.71 N ATOM 548 CA GLN A 34 12.000 -3.873 5.150 1.00 0.67 C ATOM 549 C GLN A 34 10.923 -4.827 4.685 1.00 0.57 C ATOM 550 O GLN A 34 9.774 -4.450 4.589 1.00 0.53 O ATOM 551 CB GLN A 34 12.665 -3.218 3.928 1.00 0.72 C ATOM 552 CG GLN A 34 13.731 -2.164 4.313 1.00 0.88 C ATOM 553 CD GLN A 34 14.877 -2.768 5.137 1.00 1.49 C ATOM 554 OE1 GLN A 34 15.372 -3.833 4.832 1.00 2.26 O ATOM 555 NE2 GLN A 34 15.335 -2.140 6.184 1.00 1.80 N ATOM 0 H GLN A 34 13.934 -4.654 5.529 1.00 0.71 H new ATOM 0 HA GLN A 34 11.576 -3.087 5.775 1.00 0.67 H new ATOM 0 HB2 GLN A 34 13.130 -3.991 3.317 1.00 0.72 H new ATOM 0 HB3 GLN A 34 11.899 -2.744 3.314 1.00 0.72 H new ATOM 0 HG2 GLN A 34 14.136 -1.713 3.407 1.00 0.88 H new ATOM 0 HG3 GLN A 34 13.259 -1.364 4.883 1.00 0.88 H new ATOM 0 HE21 GLN A 34 14.933 -1.243 6.457 1.00 1.80 H new ATOM 0 HE22 GLN A 34 16.096 -2.545 6.730 1.00 1.80 H new ATOM 564 N ALA A 35 11.319 -6.035 4.405 1.00 0.58 N ATOM 565 CA ALA A 35 10.314 -7.017 3.935 1.00 0.56 C ATOM 566 C ALA A 35 9.332 -7.279 5.057 1.00 0.56 C ATOM 567 O ALA A 35 8.145 -7.235 4.831 1.00 0.54 O ATOM 568 CB ALA A 35 10.979 -8.345 3.546 1.00 0.65 C ATOM 0 H ALA A 35 12.277 -6.378 4.480 1.00 0.58 H new ATOM 0 HA ALA A 35 9.810 -6.609 3.059 1.00 0.56 H new ATOM 0 HB1 ALA A 35 10.218 -9.047 3.205 1.00 0.65 H new ATOM 0 HB2 ALA A 35 11.697 -8.171 2.745 1.00 0.65 H new ATOM 0 HB3 ALA A 35 11.494 -8.761 4.412 1.00 0.65 H new ATOM 574 N ASP A 36 9.827 -7.543 6.232 1.00 0.62 N ATOM 575 CA ASP A 36 8.888 -7.811 7.364 1.00 0.67 C ATOM 576 C ASP A 36 7.860 -6.708 7.477 1.00 0.60 C ATOM 577 O ASP A 36 6.670 -6.933 7.568 1.00 0.62 O ATOM 578 CB ASP A 36 9.624 -7.872 8.696 1.00 0.79 C ATOM 579 CG ASP A 36 10.495 -9.122 8.734 1.00 1.21 C ATOM 580 OD1 ASP A 36 11.350 -9.218 7.870 1.00 1.67 O ATOM 581 OD2 ASP A 36 10.250 -9.911 9.630 1.00 1.65 O ATOM 0 H ASP A 36 10.820 -7.585 6.460 1.00 0.62 H new ATOM 0 HA ASP A 36 8.412 -8.769 7.152 1.00 0.67 H new ATOM 0 HB2 ASP A 36 10.240 -6.982 8.825 1.00 0.79 H new ATOM 0 HB3 ASP A 36 8.909 -7.888 9.519 1.00 0.79 H new ATOM 586 N ILE A 37 8.347 -5.505 7.469 1.00 0.55 N ATOM 587 CA ILE A 37 7.399 -4.373 7.585 1.00 0.52 C ATOM 588 C ILE A 37 6.504 -4.393 6.351 1.00 0.47 C ATOM 589 O ILE A 37 5.331 -4.079 6.405 1.00 0.50 O ATOM 590 CB ILE A 37 8.187 -3.061 7.646 1.00 0.53 C ATOM 591 CG1 ILE A 37 9.279 -3.126 8.743 1.00 0.68 C ATOM 592 CG2 ILE A 37 7.219 -1.912 7.955 1.00 0.57 C ATOM 593 CD1 ILE A 37 8.675 -3.370 10.135 1.00 1.12 C ATOM 0 H ILE A 37 9.334 -5.260 7.389 1.00 0.55 H new ATOM 0 HA ILE A 37 6.795 -4.457 8.488 1.00 0.52 H new ATOM 0 HB ILE A 37 8.674 -2.896 6.685 1.00 0.53 H new ATOM 0 HG12 ILE A 37 9.984 -3.923 8.508 1.00 0.68 H new ATOM 0 HG13 ILE A 37 9.843 -2.194 8.750 1.00 0.68 H new ATOM 0 HG21 ILE A 37 7.771 -0.973 8.000 1.00 0.57 H new ATOM 0 HG22 ILE A 37 6.464 -1.851 7.171 1.00 0.57 H new ATOM 0 HG23 ILE A 37 6.733 -2.094 8.913 1.00 0.57 H new ATOM 0 HD11 ILE A 37 9.473 -3.409 10.876 1.00 1.12 H new ATOM 0 HD12 ILE A 37 7.990 -2.559 10.382 1.00 1.12 H new ATOM 0 HD13 ILE A 37 8.133 -4.316 10.136 1.00 1.12 H new ATOM 605 N CYS A 38 7.090 -4.774 5.256 1.00 0.45 N ATOM 606 CA CYS A 38 6.300 -4.801 4.002 1.00 0.47 C ATOM 607 C CYS A 38 5.208 -5.839 4.115 1.00 0.50 C ATOM 608 O CYS A 38 4.189 -5.694 3.476 1.00 0.57 O ATOM 609 CB CYS A 38 7.208 -5.144 2.811 1.00 0.48 C ATOM 610 SG CYS A 38 6.529 -4.995 1.142 1.00 0.70 S ATOM 0 H CYS A 38 8.065 -5.063 5.175 1.00 0.45 H new ATOM 0 HA CYS A 38 5.858 -3.818 3.842 1.00 0.47 H new ATOM 0 HB2 CYS A 38 8.089 -4.504 2.870 1.00 0.48 H new ATOM 0 HB3 CYS A 38 7.551 -6.171 2.940 1.00 0.48 H new ATOM 0 HG CYS A 38 5.995 -6.126 0.788 1.00 0.70 H new ATOM 616 N GLU A 39 5.411 -6.856 4.900 1.00 0.54 N ATOM 617 CA GLU A 39 4.329 -7.865 5.014 1.00 0.62 C ATOM 618 C GLU A 39 3.217 -7.214 5.808 1.00 0.58 C ATOM 619 O GLU A 39 2.045 -7.364 5.531 1.00 0.57 O ATOM 620 CB GLU A 39 4.828 -9.099 5.763 1.00 0.75 C ATOM 621 CG GLU A 39 5.989 -9.759 5.012 1.00 1.35 C ATOM 622 CD GLU A 39 5.441 -10.648 3.893 1.00 2.07 C ATOM 623 OE1 GLU A 39 4.512 -10.220 3.228 1.00 2.82 O ATOM 624 OE2 GLU A 39 5.999 -11.724 3.773 1.00 2.39 O ATOM 0 H GLU A 39 6.251 -7.030 5.451 1.00 0.54 H new ATOM 0 HA GLU A 39 3.991 -8.183 4.028 1.00 0.62 H new ATOM 0 HB2 GLU A 39 5.151 -8.816 6.765 1.00 0.75 H new ATOM 0 HB3 GLU A 39 4.013 -9.813 5.881 1.00 0.75 H new ATOM 0 HG2 GLU A 39 6.645 -8.996 4.594 1.00 1.35 H new ATOM 0 HG3 GLU A 39 6.589 -10.353 5.701 1.00 1.35 H new ATOM 631 N SER A 40 3.617 -6.487 6.802 1.00 0.63 N ATOM 632 CA SER A 40 2.589 -5.818 7.623 1.00 0.64 C ATOM 633 C SER A 40 1.802 -4.890 6.703 1.00 0.58 C ATOM 634 O SER A 40 0.614 -4.689 6.856 1.00 0.63 O ATOM 635 CB SER A 40 3.324 -5.065 8.708 1.00 0.72 C ATOM 636 OG SER A 40 4.249 -6.050 9.156 1.00 0.77 O ATOM 0 H SER A 40 4.587 -6.330 7.077 1.00 0.63 H new ATOM 0 HA SER A 40 1.885 -6.508 8.089 1.00 0.64 H new ATOM 0 HB2 SER A 40 3.824 -4.176 8.324 1.00 0.72 H new ATOM 0 HB3 SER A 40 2.656 -4.736 9.504 1.00 0.72 H new ATOM 0 HG SER A 40 4.800 -5.678 9.876 1.00 0.77 H new ATOM 642 N LEU A 41 2.496 -4.343 5.752 1.00 0.54 N ATOM 643 CA LEU A 41 1.819 -3.416 4.816 1.00 0.53 C ATOM 644 C LEU A 41 0.971 -4.242 3.867 1.00 0.50 C ATOM 645 O LEU A 41 -0.105 -3.855 3.464 1.00 0.55 O ATOM 646 CB LEU A 41 2.876 -2.660 4.042 1.00 0.56 C ATOM 647 CG LEU A 41 2.260 -1.505 3.238 1.00 0.63 C ATOM 648 CD1 LEU A 41 1.795 -0.400 4.188 1.00 1.05 C ATOM 649 CD2 LEU A 41 3.326 -0.948 2.302 1.00 1.22 C ATOM 0 H LEU A 41 3.490 -4.495 5.583 1.00 0.54 H new ATOM 0 HA LEU A 41 1.187 -2.707 5.351 1.00 0.53 H new ATOM 0 HB2 LEU A 41 3.624 -2.268 4.731 1.00 0.56 H new ATOM 0 HB3 LEU A 41 3.392 -3.342 3.366 1.00 0.56 H new ATOM 0 HG LEU A 41 1.404 -1.866 2.668 1.00 0.63 H new ATOM 0 HD11 LEU A 41 1.359 0.416 3.611 1.00 1.05 H new ATOM 0 HD12 LEU A 41 1.047 -0.800 4.873 1.00 1.05 H new ATOM 0 HD13 LEU A 41 2.647 -0.028 4.757 1.00 1.05 H new ATOM 0 HD21 LEU A 41 2.907 -0.126 1.722 1.00 1.22 H new ATOM 0 HD22 LEU A 41 4.171 -0.585 2.888 1.00 1.22 H new ATOM 0 HD23 LEU A 41 3.664 -1.734 1.626 1.00 1.22 H new ATOM 661 N HIS A 42 1.514 -5.376 3.547 1.00 0.50 N ATOM 662 CA HIS A 42 0.849 -6.315 2.604 1.00 0.53 C ATOM 663 C HIS A 42 -0.557 -6.597 3.069 1.00 0.55 C ATOM 664 O HIS A 42 -1.498 -6.507 2.305 1.00 0.63 O ATOM 665 CB HIS A 42 1.640 -7.619 2.553 1.00 0.54 C ATOM 666 CG HIS A 42 1.087 -8.603 1.525 1.00 0.60 C ATOM 667 ND1 HIS A 42 0.402 -9.785 1.745 1.00 0.61 N flip ATOM 668 CD2 HIS A 42 1.167 -8.512 0.236 1.00 1.21 C flip ATOM 669 CE1 HIS A 42 0.101 -10.354 0.597 1.00 0.64 C flip ATOM 670 NE2 HIS A 42 0.590 -9.538 -0.302 1.00 1.13 N flip ATOM 0 H HIS A 42 2.411 -5.701 3.906 1.00 0.50 H new ATOM 0 HA HIS A 42 0.813 -5.867 1.611 1.00 0.53 H new ATOM 0 HB2 HIS A 42 2.681 -7.399 2.316 1.00 0.54 H new ATOM 0 HB3 HIS A 42 1.629 -8.085 3.538 1.00 0.54 H new ATOM 0 HD1 HIS A 42 0.165 -10.161 2.663 1.00 0.61 H new ATOM 0 HD2 HIS A 42 1.641 -7.706 -0.305 1.00 1.21 H new ATOM 0 HE1 HIS A 42 -0.428 -11.281 0.434 1.00 0.64 H new ATOM 678 N ASP A 43 -0.673 -6.937 4.319 1.00 0.56 N ATOM 679 CA ASP A 43 -2.044 -7.248 4.811 1.00 0.64 C ATOM 680 C ASP A 43 -2.773 -6.017 5.288 1.00 0.60 C ATOM 681 O ASP A 43 -3.983 -5.962 5.235 1.00 0.62 O ATOM 682 CB ASP A 43 -1.991 -8.227 5.964 1.00 0.80 C ATOM 683 CG ASP A 43 -3.413 -8.742 6.148 1.00 1.22 C ATOM 684 OD1 ASP A 43 -3.827 -9.489 5.273 1.00 1.86 O ATOM 685 OD2 ASP A 43 -4.019 -8.372 7.136 1.00 1.51 O ATOM 0 H ASP A 43 0.084 -7.012 4.998 1.00 0.56 H new ATOM 0 HA ASP A 43 -2.579 -7.677 3.964 1.00 0.64 H new ATOM 0 HB2 ASP A 43 -1.305 -9.046 5.748 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -1.632 -7.741 6.871 1.00 0.80 H new ATOM 690 N HIS A 44 -2.054 -5.037 5.746 1.00 0.60 N ATOM 691 CA HIS A 44 -2.788 -3.828 6.208 1.00 0.63 C ATOM 692 C HIS A 44 -3.341 -3.153 4.964 1.00 0.60 C ATOM 693 O HIS A 44 -4.234 -2.335 5.011 1.00 0.68 O ATOM 694 CB HIS A 44 -1.845 -2.872 6.920 1.00 0.65 C ATOM 695 CG HIS A 44 -2.652 -1.699 7.489 1.00 1.02 C ATOM 696 ND1 HIS A 44 -3.866 -1.758 7.941 1.00 1.67 N ATOM 697 CD2 HIS A 44 -2.294 -0.370 7.646 1.00 1.54 C ATOM 698 CE1 HIS A 44 -4.232 -0.584 8.341 1.00 2.24 C ATOM 699 NE2 HIS A 44 -3.288 0.310 8.179 1.00 2.16 N ATOM 0 H HIS A 44 -1.037 -5.014 5.820 1.00 0.60 H new ATOM 0 HA HIS A 44 -3.579 -4.103 6.905 1.00 0.63 H new ATOM 0 HB2 HIS A 44 -1.319 -3.390 7.722 1.00 0.65 H new ATOM 0 HB3 HIS A 44 -1.088 -2.506 6.227 1.00 0.65 H new ATOM 0 HD2 HIS A 44 -1.337 0.048 7.371 1.00 1.54 H new ATOM 0 HE1 HIS A 44 -5.203 -0.366 8.760 1.00 2.24 H new ATOM 0 HE2 HIS A 44 -3.316 1.303 8.412 1.00 2.16 H new ATOM 707 N ALA A 45 -2.797 -3.500 3.838 1.00 0.57 N ATOM 708 CA ALA A 45 -3.327 -2.875 2.602 1.00 0.62 C ATOM 709 C ALA A 45 -4.669 -3.530 2.386 1.00 0.59 C ATOM 710 O ALA A 45 -5.591 -2.963 1.837 1.00 0.61 O ATOM 711 CB ALA A 45 -2.425 -3.181 1.421 1.00 0.70 C ATOM 0 H ALA A 45 -2.034 -4.166 3.719 1.00 0.57 H new ATOM 0 HA ALA A 45 -3.391 -1.791 2.692 1.00 0.62 H new ATOM 0 HB1 ALA A 45 -2.830 -2.714 0.523 1.00 0.70 H new ATOM 0 HB2 ALA A 45 -1.426 -2.789 1.615 1.00 0.70 H new ATOM 0 HB3 ALA A 45 -2.370 -4.260 1.275 1.00 0.70 H new ATOM 717 N ASP A 46 -4.723 -4.741 2.851 1.00 0.60 N ATOM 718 CA ASP A 46 -5.968 -5.532 2.709 1.00 0.65 C ATOM 719 C ASP A 46 -6.978 -5.036 3.706 1.00 0.65 C ATOM 720 O ASP A 46 -8.112 -5.464 3.705 1.00 0.65 O ATOM 721 CB ASP A 46 -5.701 -6.961 2.997 1.00 0.76 C ATOM 722 CG ASP A 46 -6.805 -7.787 2.371 1.00 0.88 C ATOM 723 OD1 ASP A 46 -6.748 -7.859 1.158 1.00 1.45 O ATOM 724 OD2 ASP A 46 -7.633 -8.308 3.097 1.00 1.04 O ATOM 0 H ASP A 46 -3.956 -5.218 3.325 1.00 0.60 H new ATOM 0 HA ASP A 46 -6.340 -5.425 1.690 1.00 0.65 H new ATOM 0 HB2 ASP A 46 -4.732 -7.255 2.594 1.00 0.76 H new ATOM 0 HB3 ASP A 46 -5.663 -7.131 4.073 1.00 0.76 H new ATOM 729 N GLU A 47 -6.545 -4.150 4.552 1.00 0.71 N ATOM 730 CA GLU A 47 -7.489 -3.601 5.549 1.00 0.81 C ATOM 731 C GLU A 47 -8.477 -2.852 4.663 1.00 0.75 C ATOM 732 O GLU A 47 -9.674 -2.864 4.858 1.00 0.81 O ATOM 733 CB GLU A 47 -6.755 -2.636 6.464 1.00 0.97 C ATOM 734 CG GLU A 47 -7.352 -2.639 7.863 1.00 1.17 C ATOM 735 CD GLU A 47 -6.918 -3.939 8.526 1.00 1.52 C ATOM 736 OE1 GLU A 47 -5.731 -4.210 8.457 1.00 2.02 O ATOM 737 OE2 GLU A 47 -7.787 -4.598 9.059 1.00 1.97 O ATOM 0 H GLU A 47 -5.592 -3.788 4.595 1.00 0.71 H new ATOM 0 HA GLU A 47 -7.956 -4.346 6.193 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -5.701 -2.910 6.515 1.00 0.97 H new ATOM 0 HB3 GLU A 47 -6.803 -1.630 6.048 1.00 0.97 H new ATOM 0 HG2 GLU A 47 -7.002 -1.779 8.434 1.00 1.17 H new ATOM 0 HG3 GLU A 47 -8.439 -2.572 7.819 1.00 1.17 H new ATOM 744 N LEU A 48 -7.933 -2.210 3.670 1.00 0.72 N ATOM 745 CA LEU A 48 -8.810 -1.440 2.747 1.00 0.77 C ATOM 746 C LEU A 48 -9.607 -2.387 1.867 1.00 0.68 C ATOM 747 O LEU A 48 -10.309 -1.957 0.977 1.00 0.93 O ATOM 748 CB LEU A 48 -7.972 -0.543 1.847 1.00 0.85 C ATOM 749 CG LEU A 48 -7.122 0.415 2.695 1.00 0.87 C ATOM 750 CD1 LEU A 48 -6.236 1.238 1.749 1.00 1.52 C ATOM 751 CD2 LEU A 48 -8.043 1.370 3.477 1.00 1.40 C ATOM 0 H LEU A 48 -6.935 -2.184 3.459 1.00 0.72 H new ATOM 0 HA LEU A 48 -9.485 -0.834 3.351 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -7.325 -1.152 1.215 1.00 0.85 H new ATOM 0 HB3 LEU A 48 -8.622 0.027 1.183 1.00 0.85 H new ATOM 0 HG LEU A 48 -6.511 -0.152 3.398 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -5.623 1.926 2.331 1.00 1.52 H new ATOM 0 HD12 LEU A 48 -5.590 0.568 1.181 1.00 1.52 H new ATOM 0 HD13 LEU A 48 -6.865 1.805 1.062 1.00 1.52 H new ATOM 0 HD21 LEU A 48 -7.438 2.049 4.078 1.00 1.40 H new ATOM 0 HD22 LEU A 48 -8.648 1.946 2.777 1.00 1.40 H new ATOM 0 HD23 LEU A 48 -8.696 0.792 4.130 1.00 1.40 H new ATOM 763 N TYR A 49 -9.487 -3.651 2.122 1.00 0.59 N ATOM 764 CA TYR A 49 -10.238 -4.629 1.309 1.00 0.54 C ATOM 765 C TYR A 49 -11.380 -5.078 2.192 1.00 0.59 C ATOM 766 O TYR A 49 -12.539 -4.937 1.866 1.00 0.82 O ATOM 767 CB TYR A 49 -9.349 -5.822 0.971 1.00 0.61 C ATOM 768 CG TYR A 49 -10.054 -6.707 -0.049 1.00 0.64 C ATOM 769 CD1 TYR A 49 -10.943 -7.684 0.343 1.00 1.33 C ATOM 770 CD2 TYR A 49 -9.791 -6.535 -1.386 1.00 1.29 C ATOM 771 CE1 TYR A 49 -11.558 -8.478 -0.599 1.00 1.40 C ATOM 772 CE2 TYR A 49 -10.404 -7.326 -2.329 1.00 1.32 C ATOM 773 CZ TYR A 49 -11.292 -8.305 -1.942 1.00 0.85 C ATOM 774 OH TYR A 49 -11.902 -9.103 -2.887 1.00 0.99 O ATOM 0 H TYR A 49 -8.902 -4.048 2.857 1.00 0.59 H new ATOM 0 HA TYR A 49 -10.584 -4.200 0.369 1.00 0.54 H new ATOM 0 HB2 TYR A 49 -8.395 -5.477 0.572 1.00 0.61 H new ATOM 0 HB3 TYR A 49 -9.129 -6.393 1.873 1.00 0.61 H new ATOM 0 HD1 TYR A 49 -11.158 -7.827 1.392 1.00 1.33 H new ATOM 0 HD2 TYR A 49 -9.096 -5.771 -1.700 1.00 1.29 H new ATOM 0 HE1 TYR A 49 -12.254 -9.242 -0.284 1.00 1.40 H new ATOM 0 HE2 TYR A 49 -10.188 -7.179 -3.377 1.00 1.32 H new ATOM 0 HH TYR A 49 -11.599 -8.841 -3.781 1.00 0.99 H new ATOM 784 N ARG A 50 -11.012 -5.611 3.317 1.00 0.71 N ATOM 785 CA ARG A 50 -12.046 -6.114 4.248 1.00 0.95 C ATOM 786 C ARG A 50 -12.916 -4.972 4.777 1.00 1.15 C ATOM 787 O ARG A 50 -14.126 -5.015 4.684 1.00 1.19 O ATOM 788 CB ARG A 50 -11.304 -6.862 5.384 1.00 1.20 C ATOM 789 CG ARG A 50 -10.397 -5.916 6.179 1.00 1.44 C ATOM 790 CD ARG A 50 -9.293 -6.725 6.871 1.00 1.54 C ATOM 791 NE ARG A 50 -8.263 -7.092 5.858 1.00 1.70 N ATOM 792 CZ ARG A 50 -7.070 -7.458 6.272 1.00 1.79 C ATOM 793 NH1 ARG A 50 -6.445 -6.724 7.167 1.00 2.21 N ATOM 794 NH2 ARG A 50 -6.557 -8.554 5.760 1.00 2.29 N ATOM 0 H ARG A 50 -10.047 -5.719 3.629 1.00 0.71 H new ATOM 0 HA ARG A 50 -12.732 -6.793 3.742 1.00 0.95 H new ATOM 0 HB2 ARG A 50 -12.031 -7.321 6.055 1.00 1.20 H new ATOM 0 HB3 ARG A 50 -10.707 -7.670 4.960 1.00 1.20 H new ATOM 0 HG2 ARG A 50 -9.956 -5.174 5.514 1.00 1.44 H new ATOM 0 HG3 ARG A 50 -10.982 -5.372 6.920 1.00 1.44 H new ATOM 0 HD2 ARG A 50 -8.843 -6.140 7.673 1.00 1.54 H new ATOM 0 HD3 ARG A 50 -9.711 -7.622 7.327 1.00 1.54 H new ATOM 0 HE ARG A 50 -8.480 -7.060 4.862 1.00 1.70 H new ATOM 0 HH11 ARG A 50 -6.886 -5.880 7.533 1.00 2.21 H new ATOM 0 HH12 ARG A 50 -5.519 -6.999 7.495 1.00 2.21 H new ATOM 0 HH21 ARG A 50 -7.082 -9.088 5.067 1.00 2.29 H new ATOM 0 HH22 ARG A 50 -5.634 -8.871 6.055 1.00 2.29 H new ATOM 808 N SER A 51 -12.291 -3.969 5.315 1.00 1.40 N ATOM 809 CA SER A 51 -13.082 -2.848 5.858 1.00 1.77 C ATOM 810 C SER A 51 -13.923 -2.212 4.751 1.00 1.70 C ATOM 811 O SER A 51 -15.059 -1.843 4.963 1.00 1.91 O ATOM 812 CB SER A 51 -12.082 -1.885 6.454 1.00 2.04 C ATOM 813 OG SER A 51 -11.218 -2.775 7.150 1.00 2.11 O ATOM 0 H SER A 51 -11.278 -3.880 5.400 1.00 1.40 H new ATOM 0 HA SER A 51 -13.791 -3.169 6.621 1.00 1.77 H new ATOM 0 HB2 SER A 51 -11.555 -1.314 5.689 1.00 2.04 H new ATOM 0 HB3 SER A 51 -12.553 -1.164 7.122 1.00 2.04 H new ATOM 0 HG SER A 51 -10.400 -2.912 6.628 1.00 2.11 H new ATOM 819 N CYS A 52 -13.372 -2.088 3.578 1.00 1.50 N ATOM 820 CA CYS A 52 -14.208 -1.468 2.520 1.00 1.60 C ATOM 821 C CYS A 52 -15.317 -2.418 2.157 1.00 1.30 C ATOM 822 O CYS A 52 -16.397 -1.981 1.837 1.00 1.42 O ATOM 823 CB CYS A 52 -13.380 -1.181 1.275 1.00 1.71 C ATOM 824 SG CYS A 52 -12.086 0.081 1.379 1.00 2.41 S ATOM 0 H CYS A 52 -12.429 -2.373 3.314 1.00 1.50 H new ATOM 0 HA CYS A 52 -14.612 -0.529 2.898 1.00 1.60 H new ATOM 0 HB2 CYS A 52 -12.910 -2.115 0.965 1.00 1.71 H new ATOM 0 HB3 CYS A 52 -14.066 -0.890 0.479 1.00 1.71 H new ATOM 0 HG CYS A 52 -10.922 -0.478 1.230 1.00 2.41 H new ATOM 830 N LEU A 53 -15.044 -3.686 2.214 1.00 1.00 N ATOM 831 CA LEU A 53 -16.114 -4.654 1.864 1.00 0.95 C ATOM 832 C LEU A 53 -17.219 -4.458 2.867 1.00 1.09 C ATOM 833 O LEU A 53 -18.365 -4.724 2.574 1.00 1.19 O ATOM 834 CB LEU A 53 -15.564 -6.086 1.954 1.00 0.98 C ATOM 835 CG LEU A 53 -16.646 -7.133 1.597 1.00 1.21 C ATOM 836 CD1 LEU A 53 -17.093 -6.987 0.130 1.00 1.56 C ATOM 837 CD2 LEU A 53 -16.062 -8.538 1.811 1.00 1.58 C ATOM 0 H LEU A 53 -14.146 -4.090 2.482 1.00 1.00 H new ATOM 0 HA LEU A 53 -16.478 -4.496 0.849 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -14.715 -6.194 1.279 1.00 0.98 H new ATOM 0 HB3 LEU A 53 -15.195 -6.272 2.962 1.00 0.98 H new ATOM 0 HG LEU A 53 -17.514 -6.976 2.237 1.00 1.21 H new ATOM 0 HD11 LEU A 53 -17.854 -7.735 -0.095 1.00 1.56 H new ATOM 0 HD12 LEU A 53 -17.506 -5.991 -0.027 1.00 1.56 H new ATOM 0 HD13 LEU A 53 -16.236 -7.132 -0.528 1.00 1.56 H new ATOM 0 HD21 LEU A 53 -16.815 -9.286 1.563 1.00 1.58 H new ATOM 0 HD22 LEU A 53 -15.192 -8.672 1.169 1.00 1.58 H new ATOM 0 HD23 LEU A 53 -15.765 -8.654 2.853 1.00 1.58 H new ATOM 849 N ALA A 54 -16.863 -4.002 4.030 1.00 1.32 N ATOM 850 CA ALA A 54 -17.940 -3.798 5.023 1.00 1.66 C ATOM 851 C ALA A 54 -18.894 -2.732 4.516 1.00 1.77 C ATOM 852 O ALA A 54 -20.065 -2.989 4.351 1.00 2.00 O ATOM 853 CB ALA A 54 -17.383 -3.324 6.365 1.00 1.85 C ATOM 0 H ALA A 54 -15.915 -3.771 4.327 1.00 1.32 H new ATOM 0 HA ALA A 54 -18.447 -4.753 5.162 1.00 1.66 H new ATOM 0 HB1 ALA A 54 -18.202 -3.184 7.070 1.00 1.85 H new ATOM 0 HB2 ALA A 54 -16.691 -4.070 6.756 1.00 1.85 H new ATOM 0 HB3 ALA A 54 -16.858 -2.379 6.228 1.00 1.85 H new ATOM 859 N ARG A 55 -18.393 -1.557 4.260 1.00 1.75 N ATOM 860 CA ARG A 55 -19.349 -0.511 3.809 1.00 1.93 C ATOM 861 C ARG A 55 -19.892 -0.834 2.421 1.00 1.58 C ATOM 862 O ARG A 55 -20.993 -0.446 2.092 1.00 1.71 O ATOM 863 CB ARG A 55 -18.629 0.879 3.817 1.00 2.36 C ATOM 864 CG ARG A 55 -17.805 1.157 2.548 1.00 2.73 C ATOM 865 CD ARG A 55 -18.477 2.324 1.764 1.00 3.04 C ATOM 866 NE ARG A 55 -19.956 2.146 1.715 1.00 2.92 N ATOM 867 CZ ARG A 55 -20.671 3.050 1.081 1.00 3.13 C ATOM 868 NH1 ARG A 55 -20.814 4.241 1.613 1.00 3.65 N ATOM 869 NH2 ARG A 55 -21.214 2.727 -0.067 1.00 3.41 N ATOM 0 H ARG A 55 -17.413 -1.283 4.338 1.00 1.75 H new ATOM 0 HA ARG A 55 -20.197 -0.480 4.493 1.00 1.93 H new ATOM 0 HB2 ARG A 55 -19.376 1.664 3.934 1.00 2.36 H new ATOM 0 HB3 ARG A 55 -17.972 0.933 4.685 1.00 2.36 H new ATOM 0 HG2 ARG A 55 -16.781 1.419 2.812 1.00 2.73 H new ATOM 0 HG3 ARG A 55 -17.755 0.263 1.926 1.00 2.73 H new ATOM 0 HD2 ARG A 55 -18.236 3.274 2.240 1.00 3.04 H new ATOM 0 HD3 ARG A 55 -18.077 2.365 0.751 1.00 3.04 H new ATOM 0 HE ARG A 55 -20.402 1.344 2.161 1.00 2.92 H new ATOM 0 HH11 ARG A 55 -20.373 4.456 2.507 1.00 3.65 H new ATOM 0 HH12 ARG A 55 -21.366 4.951 1.132 1.00 3.65 H new ATOM 0 HH21 ARG A 55 -21.078 1.792 -0.450 1.00 3.41 H new ATOM 0 HH22 ARG A 55 -21.773 3.411 -0.577 1.00 3.41 H new ATOM 883 N PHE A 56 -19.125 -1.529 1.634 1.00 1.42 N ATOM 884 CA PHE A 56 -19.619 -1.860 0.272 1.00 1.63 C ATOM 885 C PHE A 56 -20.730 -2.849 0.493 1.00 2.45 C ATOM 886 O PHE A 56 -21.652 -2.966 -0.289 1.00 3.11 O ATOM 887 CB PHE A 56 -18.515 -2.507 -0.570 1.00 1.48 C ATOM 888 CG PHE A 56 -17.372 -1.519 -0.872 1.00 1.19 C ATOM 889 CD1 PHE A 56 -17.490 -0.159 -0.630 1.00 1.30 C ATOM 890 CD2 PHE A 56 -16.186 -1.993 -1.411 1.00 1.63 C ATOM 891 CE1 PHE A 56 -16.457 0.703 -0.919 1.00 1.24 C ATOM 892 CE2 PHE A 56 -15.148 -1.128 -1.701 1.00 1.51 C ATOM 893 CZ PHE A 56 -15.285 0.223 -1.454 1.00 0.99 C ATOM 0 H PHE A 56 -18.195 -1.877 1.867 1.00 1.42 H new ATOM 0 HA PHE A 56 -19.946 -0.968 -0.262 1.00 1.63 H new ATOM 0 HB2 PHE A 56 -18.116 -3.374 -0.043 1.00 1.48 H new ATOM 0 HB3 PHE A 56 -18.938 -2.871 -1.506 1.00 1.48 H new ATOM 0 HD1 PHE A 56 -18.405 0.229 -0.209 1.00 1.30 H new ATOM 0 HD2 PHE A 56 -16.072 -3.049 -1.606 1.00 1.63 H new ATOM 0 HE1 PHE A 56 -16.567 1.760 -0.725 1.00 1.24 H new ATOM 0 HE2 PHE A 56 -14.229 -1.509 -2.121 1.00 1.51 H new ATOM 0 HZ PHE A 56 -14.475 0.900 -1.680 1.00 0.99 H new ATOM 903 N GLY A 57 -20.592 -3.557 1.571 1.00 2.70 N ATOM 904 CA GLY A 57 -21.650 -4.529 1.905 1.00 3.77 C ATOM 905 C GLY A 57 -22.890 -3.695 2.204 1.00 4.43 C ATOM 906 O GLY A 57 -23.926 -3.884 1.598 1.00 4.85 O ATOM 0 H GLY A 57 -19.808 -3.506 2.222 1.00 2.70 H new ATOM 0 HA2 GLY A 57 -21.829 -5.215 1.077 1.00 3.77 H new ATOM 0 HA3 GLY A 57 -21.368 -5.136 2.766 1.00 3.77 H new ATOM 910 N ASP A 58 -22.747 -2.786 3.130 1.00 4.82 N ATOM 911 CA ASP A 58 -23.896 -1.914 3.511 1.00 5.78 C ATOM 912 C ASP A 58 -23.938 -0.710 2.594 1.00 6.31 C ATOM 913 O ASP A 58 -24.053 0.411 3.050 1.00 6.58 O ATOM 914 CB ASP A 58 -23.740 -1.411 4.935 1.00 6.24 C ATOM 915 CG ASP A 58 -23.567 -2.618 5.847 1.00 6.76 C ATOM 916 OD1 ASP A 58 -24.585 -3.215 6.156 1.00 6.88 O ATOM 917 OD2 ASP A 58 -22.420 -2.872 6.178 1.00 7.19 O ATOM 0 H ASP A 58 -21.882 -2.609 3.641 1.00 4.82 H new ATOM 0 HA ASP A 58 -24.811 -2.501 3.428 1.00 5.78 H new ATOM 0 HB2 ASP A 58 -22.878 -0.749 5.012 1.00 6.24 H new ATOM 0 HB3 ASP A 58 -24.614 -0.832 5.232 1.00 6.24 H new ATOM 922 N ASP A 59 -23.841 -0.968 1.323 1.00 6.74 N ATOM 923 CA ASP A 59 -23.864 0.137 0.323 1.00 7.58 C ATOM 924 C ASP A 59 -25.190 0.080 -0.390 1.00 8.01 C ATOM 925 O ASP A 59 -25.796 -0.968 -0.461 1.00 8.18 O ATOM 926 CB ASP A 59 -22.765 -0.067 -0.671 1.00 8.09 C ATOM 927 CG ASP A 59 -22.968 0.809 -1.899 1.00 8.40 C ATOM 928 OD1 ASP A 59 -23.187 1.996 -1.761 1.00 8.56 O ATOM 929 OD2 ASP A 59 -22.891 0.205 -2.944 1.00 8.62 O ATOM 0 H ASP A 59 -23.746 -1.904 0.928 1.00 6.74 H new ATOM 0 HA ASP A 59 -23.727 1.100 0.814 1.00 7.58 H new ATOM 0 HB2 ASP A 59 -21.805 0.165 -0.209 1.00 8.09 H new ATOM 0 HB3 ASP A 59 -22.730 -1.115 -0.969 1.00 8.09 H new ATOM 934 N GLY A 60 -25.612 1.195 -0.904 1.00 8.32 N ATOM 935 CA GLY A 60 -26.902 1.227 -1.623 1.00 8.93 C ATOM 936 C GLY A 60 -26.587 1.098 -3.104 1.00 9.28 C ATOM 937 O GLY A 60 -27.213 1.753 -3.915 1.00 9.74 O ATOM 0 H GLY A 60 -25.117 2.085 -0.856 1.00 8.32 H new ATOM 0 HA2 GLY A 60 -27.548 0.413 -1.294 1.00 8.93 H new ATOM 0 HA3 GLY A 60 -27.433 2.157 -1.421 1.00 8.93 H new ATOM 941 N GLU A 61 -25.629 0.258 -3.392 1.00 9.25 N ATOM 942 CA GLU A 61 -25.206 0.026 -4.796 1.00 9.85 C ATOM 943 C GLU A 61 -25.032 1.357 -5.488 1.00 10.44 C ATOM 944 O GLU A 61 -25.502 1.555 -6.592 1.00 10.96 O ATOM 945 CB GLU A 61 -26.266 -0.805 -5.514 1.00 9.95 C ATOM 946 CG GLU A 61 -26.540 -2.068 -4.685 1.00 9.52 C ATOM 947 CD GLU A 61 -25.220 -2.790 -4.456 1.00 9.36 C ATOM 948 OE1 GLU A 61 -24.472 -2.887 -5.413 1.00 9.60 O ATOM 949 OE2 GLU A 61 -25.021 -3.206 -3.329 1.00 9.14 O ATOM 0 H GLU A 61 -25.115 -0.285 -2.698 1.00 9.25 H new ATOM 0 HA GLU A 61 -24.259 -0.514 -4.815 1.00 9.85 H new ATOM 0 HB2 GLU A 61 -27.182 -0.227 -5.637 1.00 9.95 H new ATOM 0 HB3 GLU A 61 -25.923 -1.075 -6.513 1.00 9.95 H new ATOM 0 HG2 GLU A 61 -26.998 -1.804 -3.732 1.00 9.52 H new ATOM 0 HG3 GLU A 61 -27.242 -2.718 -5.206 1.00 9.52 H new ATOM 956 N ASN A 62 -24.361 2.254 -4.829 1.00 10.52 N ATOM 957 CA ASN A 62 -24.172 3.571 -5.479 1.00 11.24 C ATOM 958 C ASN A 62 -22.920 4.221 -4.947 1.00 11.48 C ATOM 959 O ASN A 62 -22.017 4.512 -5.708 1.00 11.62 O ATOM 960 CB ASN A 62 -25.357 4.484 -5.188 1.00 11.72 C ATOM 961 CG ASN A 62 -25.231 5.703 -6.106 1.00 12.30 C ATOM 962 OD1 ASN A 62 -25.302 6.837 -5.678 1.00 12.60 O ATOM 963 ND2 ASN A 62 -25.043 5.514 -7.387 1.00 12.60 N ATOM 0 H ASN A 62 -23.949 2.140 -3.903 1.00 10.52 H new ATOM 0 HA ASN A 62 -24.090 3.417 -6.555 1.00 11.24 H new ATOM 0 HB2 ASN A 62 -26.297 3.963 -5.369 1.00 11.72 H new ATOM 0 HB3 ASN A 62 -25.358 4.790 -4.142 1.00 11.72 H new ATOM 0 HD21 ASN A 62 -24.958 6.314 -8.014 1.00 12.60 H new ATOM 0 HD22 ASN A 62 -24.982 4.566 -7.759 1.00 12.60 H new ATOM 970 N LEU A 63 -22.898 4.426 -3.659 1.00 11.67 N ATOM 971 CA LEU A 63 -21.727 5.073 -3.008 1.00 12.09 C ATOM 972 C LEU A 63 -22.039 5.210 -1.536 1.00 12.33 C ATOM 973 O LEU A 63 -21.154 5.650 -0.830 1.00 12.50 O ATOM 974 CB LEU A 63 -21.467 6.476 -3.617 1.00 12.49 C ATOM 975 CG LEU A 63 -22.749 7.350 -3.687 1.00 12.64 C ATOM 976 CD1 LEU A 63 -23.044 8.062 -2.348 1.00 12.78 C ATOM 977 CD2 LEU A 63 -22.565 8.405 -4.788 1.00 12.96 C ATOM 978 OXT LEU A 63 -23.156 4.862 -1.198 1.00 12.46 O ATOM 0 H LEU A 63 -23.652 4.169 -3.023 1.00 11.67 H new ATOM 0 HA LEU A 63 -20.834 4.467 -3.164 1.00 12.09 H new ATOM 0 HB2 LEU A 63 -20.714 6.991 -3.021 1.00 12.49 H new ATOM 0 HB3 LEU A 63 -21.056 6.361 -4.620 1.00 12.49 H new ATOM 0 HG LEU A 63 -23.593 6.695 -3.905 1.00 12.64 H new ATOM 0 HD11 LEU A 63 -23.949 8.661 -2.446 1.00 12.78 H new ATOM 0 HD12 LEU A 63 -23.184 7.318 -1.564 1.00 12.78 H new ATOM 0 HD13 LEU A 63 -22.207 8.710 -2.088 1.00 12.78 H new ATOM 0 HD21 LEU A 63 -23.458 9.027 -4.849 1.00 12.96 H new ATOM 0 HD22 LEU A 63 -21.703 9.030 -4.553 1.00 12.96 H new ATOM 0 HD23 LEU A 63 -22.403 7.908 -5.745 1.00 12.96 H new TER 990 LEU A 63 ATOM 991 N MET B 1 21.677 -3.498 -6.028 1.00 3.37 N ATOM 992 CA MET B 1 23.009 -2.870 -5.896 1.00 3.57 C ATOM 993 C MET B 1 23.231 -1.953 -7.091 1.00 3.47 C ATOM 994 O MET B 1 24.276 -1.984 -7.709 1.00 4.06 O ATOM 995 CB MET B 1 24.098 -3.949 -5.851 1.00 3.97 C ATOM 996 CG MET B 1 23.953 -4.695 -4.511 1.00 4.33 C ATOM 997 SD MET B 1 22.364 -5.471 -4.122 1.00 4.83 S ATOM 998 CE MET B 1 22.970 -7.128 -3.714 1.00 5.37 C ATOM 0 H1 MET B 1 21.595 -4.284 -5.352 1.00 3.37 H new ATOM 0 H2 MET B 1 20.939 -2.792 -5.830 1.00 3.37 H new ATOM 0 H3 MET B 1 21.558 -3.860 -6.996 1.00 3.37 H new ATOM 0 HA MET B 1 23.058 -2.294 -4.972 1.00 3.57 H new ATOM 0 HB2 MET B 1 23.989 -4.639 -6.688 1.00 3.97 H new ATOM 0 HB3 MET B 1 25.087 -3.499 -5.935 1.00 3.97 H new ATOM 0 HG2 MET B 1 24.718 -5.471 -4.479 1.00 4.33 H new ATOM 0 HG3 MET B 1 24.182 -3.989 -3.712 1.00 4.33 H new ATOM 0 HE1 MET B 1 22.129 -7.766 -3.443 1.00 5.37 H new ATOM 0 HE2 MET B 1 23.483 -7.551 -4.578 1.00 5.37 H new ATOM 0 HE3 MET B 1 23.663 -7.066 -2.875 1.00 5.37 H new ATOM 1010 N THR B 2 22.240 -1.162 -7.386 1.00 2.92 N ATOM 1011 CA THR B 2 22.313 -0.212 -8.510 1.00 2.99 C ATOM 1012 C THR B 2 20.973 0.527 -8.437 1.00 2.72 C ATOM 1013 O THR B 2 20.438 0.760 -7.375 1.00 2.84 O ATOM 1014 CB THR B 2 22.519 -1.029 -9.840 1.00 3.22 C ATOM 1015 OG1 THR B 2 22.674 -0.067 -10.882 1.00 3.49 O ATOM 1016 CG2 THR B 2 21.312 -1.897 -10.220 1.00 4.02 C ATOM 0 H THR B 2 21.358 -1.140 -6.874 1.00 2.92 H new ATOM 0 HA THR B 2 23.140 0.498 -8.474 1.00 2.99 H new ATOM 0 HB THR B 2 23.373 -1.692 -9.699 1.00 3.22 H new ATOM 0 HG1 THR B 2 22.808 -0.529 -11.736 1.00 3.49 H new ATOM 0 HG21 THR B 2 21.525 -2.431 -11.146 1.00 4.02 H new ATOM 0 HG22 THR B 2 21.115 -2.615 -9.424 1.00 4.02 H new ATOM 0 HG23 THR B 2 20.437 -1.262 -10.360 1.00 4.02 H new ATOM 1024 N LYS B 3 20.446 0.878 -9.570 1.00 2.63 N ATOM 1025 CA LYS B 3 19.163 1.625 -9.580 1.00 2.60 C ATOM 1026 C LYS B 3 17.989 0.757 -9.132 1.00 2.17 C ATOM 1027 O LYS B 3 16.876 1.246 -9.084 1.00 2.07 O ATOM 1028 CB LYS B 3 18.889 2.135 -10.995 1.00 3.03 C ATOM 1029 CG LYS B 3 20.204 2.629 -11.642 1.00 3.61 C ATOM 1030 CD LYS B 3 20.879 3.715 -10.786 1.00 3.98 C ATOM 1031 CE LYS B 3 22.268 3.992 -11.385 1.00 4.65 C ATOM 1032 NZ LYS B 3 23.103 2.753 -11.373 1.00 4.95 N ATOM 0 H LYS B 3 20.845 0.681 -10.488 1.00 2.63 H new ATOM 0 HA LYS B 3 19.257 2.453 -8.878 1.00 2.60 H new ATOM 0 HB2 LYS B 3 18.453 1.339 -11.599 1.00 3.03 H new ATOM 0 HB3 LYS B 3 18.162 2.946 -10.964 1.00 3.03 H new ATOM 0 HG2 LYS B 3 20.886 1.789 -11.770 1.00 3.61 H new ATOM 0 HG3 LYS B 3 19.996 3.025 -12.636 1.00 3.61 H new ATOM 0 HD2 LYS B 3 20.278 4.624 -10.779 1.00 3.98 H new ATOM 0 HD3 LYS B 3 20.969 3.385 -9.751 1.00 3.98 H new ATOM 0 HE2 LYS B 3 22.163 4.356 -12.407 1.00 4.65 H new ATOM 0 HE3 LYS B 3 22.765 4.778 -10.816 1.00 4.65 H new ATOM 0 HZ1 LYS B 3 23.990 2.937 -10.862 1.00 4.95 H new ATOM 0 HZ2 LYS B 3 22.582 1.988 -10.898 1.00 4.95 H new ATOM 0 HZ3 LYS B 3 23.319 2.470 -12.350 1.00 4.95 H new ATOM 1046 N GLN B 4 18.240 -0.485 -8.822 1.00 2.02 N ATOM 1047 CA GLN B 4 17.110 -1.348 -8.390 1.00 1.74 C ATOM 1048 C GLN B 4 16.593 -0.752 -7.098 1.00 1.34 C ATOM 1049 O GLN B 4 15.404 -0.628 -6.899 1.00 1.25 O ATOM 1050 CB GLN B 4 17.569 -2.774 -8.087 1.00 1.87 C ATOM 1051 CG GLN B 4 18.276 -3.418 -9.266 1.00 2.66 C ATOM 1052 CD GLN B 4 19.097 -4.576 -8.684 1.00 3.34 C ATOM 1053 OE1 GLN B 4 20.181 -4.376 -8.168 1.00 3.63 O ATOM 1054 NE2 GLN B 4 18.625 -5.792 -8.738 1.00 4.09 N ATOM 0 H GLN B 4 19.157 -0.930 -8.848 1.00 2.02 H new ATOM 0 HA GLN B 4 16.362 -1.391 -9.182 1.00 1.74 H new ATOM 0 HB2 GLN B 4 18.239 -2.762 -7.228 1.00 1.87 H new ATOM 0 HB3 GLN B 4 16.706 -3.379 -7.810 1.00 1.87 H new ATOM 0 HG2 GLN B 4 17.558 -3.780 -10.002 1.00 2.66 H new ATOM 0 HG3 GLN B 4 18.919 -2.700 -9.775 1.00 2.66 H new ATOM 0 HE21 GLN B 4 17.717 -5.968 -9.169 1.00 4.09 H new ATOM 0 HE22 GLN B 4 19.164 -6.566 -8.349 1.00 4.09 H new ATOM 1063 N GLU B 5 17.528 -0.397 -6.269 1.00 1.21 N ATOM 1064 CA GLU B 5 17.185 0.179 -4.951 1.00 0.96 C ATOM 1065 C GLU B 5 16.333 1.405 -5.140 1.00 0.95 C ATOM 1066 O GLU B 5 15.368 1.610 -4.437 1.00 0.82 O ATOM 1067 CB GLU B 5 18.453 0.567 -4.207 1.00 1.13 C ATOM 1068 CG GLU B 5 19.264 -0.666 -3.802 1.00 1.56 C ATOM 1069 CD GLU B 5 20.201 -1.055 -4.925 1.00 1.97 C ATOM 1070 OE1 GLU B 5 19.780 -1.783 -5.802 1.00 2.53 O ATOM 1071 OE2 GLU B 5 21.327 -0.604 -4.860 1.00 2.36 O ATOM 0 H GLU B 5 18.527 -0.484 -6.453 1.00 1.21 H new ATOM 0 HA GLU B 5 16.638 -0.566 -4.373 1.00 0.96 H new ATOM 0 HB2 GLU B 5 19.063 1.214 -4.838 1.00 1.13 H new ATOM 0 HB3 GLU B 5 18.193 1.141 -3.318 1.00 1.13 H new ATOM 0 HG2 GLU B 5 19.834 -0.456 -2.897 1.00 1.56 H new ATOM 0 HG3 GLU B 5 18.594 -1.494 -3.572 1.00 1.56 H new ATOM 1078 N LYS B 6 16.715 2.200 -6.090 1.00 1.22 N ATOM 1079 CA LYS B 6 15.923 3.426 -6.336 1.00 1.36 C ATOM 1080 C LYS B 6 14.513 3.011 -6.678 1.00 1.20 C ATOM 1081 O LYS B 6 13.558 3.647 -6.287 1.00 1.18 O ATOM 1082 CB LYS B 6 16.550 4.202 -7.503 1.00 1.75 C ATOM 1083 CG LYS B 6 15.583 5.282 -8.061 1.00 2.49 C ATOM 1084 CD LYS B 6 15.991 5.641 -9.494 1.00 2.98 C ATOM 1085 CE LYS B 6 15.125 4.821 -10.489 1.00 3.67 C ATOM 1086 NZ LYS B 6 15.064 3.368 -10.144 1.00 3.78 N ATOM 0 H LYS B 6 17.524 2.060 -6.696 1.00 1.22 H new ATOM 0 HA LYS B 6 15.913 4.068 -5.455 1.00 1.36 H new ATOM 0 HB2 LYS B 6 17.473 4.677 -7.170 1.00 1.75 H new ATOM 0 HB3 LYS B 6 16.818 3.508 -8.299 1.00 1.75 H new ATOM 0 HG2 LYS B 6 14.558 4.911 -8.045 1.00 2.49 H new ATOM 0 HG3 LYS B 6 15.610 6.171 -7.430 1.00 2.49 H new ATOM 0 HD2 LYS B 6 15.854 6.708 -9.668 1.00 2.98 H new ATOM 0 HD3 LYS B 6 17.048 5.425 -9.649 1.00 2.98 H new ATOM 0 HE2 LYS B 6 14.114 5.229 -10.505 1.00 3.67 H new ATOM 0 HE3 LYS B 6 15.530 4.934 -11.495 1.00 3.67 H new ATOM 0 HZ1 LYS B 6 14.730 2.829 -10.969 1.00 3.78 H new ATOM 0 HZ2 LYS B 6 16.011 3.035 -9.873 1.00 3.78 H new ATOM 0 HZ3 LYS B 6 14.408 3.227 -9.350 1.00 3.78 H new ATOM 1100 N THR B 7 14.409 1.949 -7.409 1.00 1.23 N ATOM 1101 CA THR B 7 13.057 1.519 -7.788 1.00 1.25 C ATOM 1102 C THR B 7 12.300 1.057 -6.538 1.00 0.98 C ATOM 1103 O THR B 7 11.233 1.558 -6.264 1.00 0.93 O ATOM 1104 CB THR B 7 13.243 0.417 -8.816 1.00 1.53 C ATOM 1105 OG1 THR B 7 14.292 0.955 -9.615 1.00 1.77 O ATOM 1106 CG2 THR B 7 12.041 0.353 -9.769 1.00 1.82 C ATOM 0 H THR B 7 15.180 1.376 -7.751 1.00 1.23 H new ATOM 0 HA THR B 7 12.458 2.320 -8.221 1.00 1.25 H new ATOM 0 HB THR B 7 13.398 -0.557 -8.353 1.00 1.53 H new ATOM 0 HG1 THR B 7 15.149 0.577 -9.327 1.00 1.77 H new ATOM 0 HG21 THR B 7 12.196 -0.443 -10.497 1.00 1.82 H new ATOM 0 HG22 THR B 7 11.134 0.152 -9.198 1.00 1.82 H new ATOM 0 HG23 THR B 7 11.938 1.305 -10.289 1.00 1.82 H new ATOM 1114 N ALA B 8 12.860 0.133 -5.810 1.00 0.87 N ATOM 1115 CA ALA B 8 12.159 -0.372 -4.596 1.00 0.79 C ATOM 1116 C ALA B 8 11.804 0.757 -3.645 1.00 0.62 C ATOM 1117 O ALA B 8 10.730 0.783 -3.078 1.00 0.70 O ATOM 1118 CB ALA B 8 13.055 -1.360 -3.859 1.00 0.81 C ATOM 0 H ALA B 8 13.767 -0.293 -6.000 1.00 0.87 H new ATOM 0 HA ALA B 8 11.240 -0.856 -4.925 1.00 0.79 H new ATOM 0 HB1 ALA B 8 12.539 -1.727 -2.972 1.00 0.81 H new ATOM 0 HB2 ALA B 8 13.290 -2.198 -4.515 1.00 0.81 H new ATOM 0 HB3 ALA B 8 13.978 -0.862 -3.562 1.00 0.81 H new ATOM 1124 N LEU B 9 12.725 1.661 -3.504 1.00 0.59 N ATOM 1125 CA LEU B 9 12.498 2.799 -2.582 1.00 0.73 C ATOM 1126 C LEU B 9 11.293 3.542 -3.125 1.00 0.60 C ATOM 1127 O LEU B 9 10.376 3.920 -2.420 1.00 0.61 O ATOM 1128 CB LEU B 9 13.759 3.680 -2.592 1.00 1.09 C ATOM 1129 CG LEU B 9 13.648 4.859 -1.611 1.00 1.65 C ATOM 1130 CD1 LEU B 9 13.489 4.350 -0.167 1.00 1.96 C ATOM 1131 CD2 LEU B 9 14.932 5.701 -1.698 1.00 2.37 C ATOM 0 H LEU B 9 13.624 1.661 -3.986 1.00 0.59 H new ATOM 0 HA LEU B 9 12.312 2.491 -1.553 1.00 0.73 H new ATOM 0 HB2 LEU B 9 14.627 3.073 -2.333 1.00 1.09 H new ATOM 0 HB3 LEU B 9 13.926 4.061 -3.599 1.00 1.09 H new ATOM 0 HG LEU B 9 12.775 5.456 -1.875 1.00 1.65 H new ATOM 0 HD11 LEU B 9 13.412 5.199 0.512 1.00 1.96 H new ATOM 0 HD12 LEU B 9 12.587 3.743 -0.092 1.00 1.96 H new ATOM 0 HD13 LEU B 9 14.355 3.747 0.104 1.00 1.96 H new ATOM 0 HD21 LEU B 9 14.864 6.540 -1.006 1.00 2.37 H new ATOM 0 HD22 LEU B 9 15.791 5.083 -1.436 1.00 2.37 H new ATOM 0 HD23 LEU B 9 15.052 6.077 -2.714 1.00 2.37 H new ATOM 1143 N ASN B 10 11.346 3.718 -4.409 1.00 0.60 N ATOM 1144 CA ASN B 10 10.249 4.444 -5.084 1.00 0.63 C ATOM 1145 C ASN B 10 8.962 3.649 -5.028 1.00 0.57 C ATOM 1146 O ASN B 10 7.895 4.226 -5.084 1.00 0.57 O ATOM 1147 CB ASN B 10 10.606 4.686 -6.538 1.00 0.76 C ATOM 1148 CG ASN B 10 9.434 5.415 -7.188 1.00 1.34 C ATOM 1149 OD1 ASN B 10 8.995 6.441 -6.706 1.00 1.67 O ATOM 1150 ND2 ASN B 10 8.899 4.924 -8.273 1.00 2.15 N ATOM 0 H ASN B 10 12.098 3.392 -5.017 1.00 0.60 H new ATOM 0 HA ASN B 10 10.108 5.394 -4.568 1.00 0.63 H new ATOM 0 HB2 ASN B 10 11.516 5.281 -6.614 1.00 0.76 H new ATOM 0 HB3 ASN B 10 10.799 3.742 -7.047 1.00 0.76 H new ATOM 0 HD21 ASN B 10 8.114 5.401 -8.715 1.00 2.15 H new ATOM 0 HD22 ASN B 10 9.267 4.063 -8.678 1.00 2.15 H new ATOM 1157 N MET B 11 9.060 2.355 -4.916 1.00 0.60 N ATOM 1158 CA MET B 11 7.803 1.565 -4.873 1.00 0.65 C ATOM 1159 C MET B 11 7.120 1.784 -3.548 1.00 0.62 C ATOM 1160 O MET B 11 5.912 1.872 -3.494 1.00 0.68 O ATOM 1161 CB MET B 11 8.062 0.065 -5.007 1.00 0.77 C ATOM 1162 CG MET B 11 8.564 -0.259 -6.413 1.00 1.18 C ATOM 1163 SD MET B 11 7.648 0.456 -7.802 1.00 1.98 S ATOM 1164 CE MET B 11 6.204 -0.632 -7.731 1.00 2.42 C ATOM 0 H MET B 11 9.929 1.824 -4.854 1.00 0.60 H new ATOM 0 HA MET B 11 7.187 1.898 -5.708 1.00 0.65 H new ATOM 0 HB2 MET B 11 8.798 -0.252 -4.268 1.00 0.77 H new ATOM 0 HB3 MET B 11 7.146 -0.489 -4.803 1.00 0.77 H new ATOM 0 HG2 MET B 11 9.600 0.070 -6.486 1.00 1.18 H new ATOM 0 HG3 MET B 11 8.565 -1.343 -6.530 1.00 1.18 H new ATOM 0 HE1 MET B 11 5.746 -0.694 -8.718 1.00 2.42 H new ATOM 0 HE2 MET B 11 6.514 -1.627 -7.412 1.00 2.42 H new ATOM 0 HE3 MET B 11 5.481 -0.231 -7.020 1.00 2.42 H new ATOM 1174 N ALA B 12 7.882 1.869 -2.497 1.00 0.58 N ATOM 1175 CA ALA B 12 7.212 2.088 -1.186 1.00 0.62 C ATOM 1176 C ALA B 12 6.538 3.439 -1.286 1.00 0.56 C ATOM 1177 O ALA B 12 5.394 3.623 -0.914 1.00 0.57 O ATOM 1178 CB ALA B 12 8.234 2.126 -0.052 1.00 0.67 C ATOM 0 H ALA B 12 8.900 1.800 -2.483 1.00 0.58 H new ATOM 0 HA ALA B 12 6.508 1.283 -0.973 1.00 0.62 H new ATOM 0 HB1 ALA B 12 7.720 2.287 0.896 1.00 0.67 H new ATOM 0 HB2 ALA B 12 8.773 1.179 -0.016 1.00 0.67 H new ATOM 0 HB3 ALA B 12 8.939 2.939 -0.225 1.00 0.67 H new ATOM 1184 N ARG B 13 7.292 4.362 -1.803 1.00 0.53 N ATOM 1185 CA ARG B 13 6.736 5.726 -1.950 1.00 0.50 C ATOM 1186 C ARG B 13 5.589 5.630 -2.947 1.00 0.49 C ATOM 1187 O ARG B 13 4.674 6.428 -2.928 1.00 0.51 O ATOM 1188 CB ARG B 13 7.826 6.650 -2.477 1.00 0.51 C ATOM 1189 CG ARG B 13 7.354 8.107 -2.492 1.00 0.61 C ATOM 1190 CD ARG B 13 8.218 8.877 -3.507 1.00 1.07 C ATOM 1191 NE ARG B 13 8.016 8.279 -4.860 1.00 1.86 N ATOM 1192 CZ ARG B 13 6.798 7.997 -5.260 1.00 2.52 C ATOM 1193 NH1 ARG B 13 5.895 8.957 -5.244 1.00 3.08 N ATOM 1194 NH2 ARG B 13 6.537 6.771 -5.654 1.00 3.15 N ATOM 0 H ARG B 13 8.252 4.234 -2.124 1.00 0.53 H new ATOM 0 HA ARG B 13 6.380 6.124 -1.000 1.00 0.50 H new ATOM 0 HB2 ARG B 13 8.716 6.559 -1.855 1.00 0.51 H new ATOM 0 HB3 ARG B 13 8.109 6.346 -3.485 1.00 0.51 H new ATOM 0 HG2 ARG B 13 6.301 8.164 -2.768 1.00 0.61 H new ATOM 0 HG3 ARG B 13 7.448 8.548 -1.500 1.00 0.61 H new ATOM 0 HD2 ARG B 13 7.942 9.931 -3.515 1.00 1.07 H new ATOM 0 HD3 ARG B 13 9.269 8.825 -3.224 1.00 1.07 H new ATOM 0 HE ARG B 13 8.815 8.092 -5.466 1.00 1.86 H new ATOM 0 HH11 ARG B 13 6.150 9.892 -4.926 1.00 3.08 H new ATOM 0 HH12 ARG B 13 4.941 8.765 -5.550 1.00 3.08 H new ATOM 0 HH21 ARG B 13 7.273 6.065 -5.644 1.00 3.15 H new ATOM 0 HH22 ARG B 13 5.599 6.526 -5.970 1.00 3.15 H new ATOM 1208 N PHE B 14 5.649 4.656 -3.806 1.00 0.52 N ATOM 1209 CA PHE B 14 4.552 4.551 -4.791 1.00 0.54 C ATOM 1210 C PHE B 14 3.332 4.065 -4.067 1.00 0.57 C ATOM 1211 O PHE B 14 2.244 4.456 -4.424 1.00 0.59 O ATOM 1212 CB PHE B 14 4.877 3.558 -5.906 1.00 0.62 C ATOM 1213 CG PHE B 14 3.717 3.621 -6.901 1.00 1.17 C ATOM 1214 CD1 PHE B 14 3.458 4.787 -7.599 1.00 2.02 C ATOM 1215 CD2 PHE B 14 2.914 2.517 -7.108 1.00 1.81 C ATOM 1216 CE1 PHE B 14 2.409 4.849 -8.493 1.00 2.69 C ATOM 1217 CE2 PHE B 14 1.866 2.579 -8.002 1.00 2.50 C ATOM 1218 CZ PHE B 14 1.611 3.744 -8.694 1.00 2.71 C ATOM 0 H PHE B 14 6.384 3.952 -3.868 1.00 0.52 H new ATOM 0 HA PHE B 14 4.399 5.530 -5.246 1.00 0.54 H new ATOM 0 HB2 PHE B 14 5.818 3.816 -6.392 1.00 0.62 H new ATOM 0 HB3 PHE B 14 4.990 2.550 -5.506 1.00 0.62 H new ATOM 0 HD1 PHE B 14 4.081 5.655 -7.443 1.00 2.02 H new ATOM 0 HD2 PHE B 14 3.107 1.602 -6.568 1.00 1.81 H new ATOM 0 HE1 PHE B 14 2.214 5.763 -9.035 1.00 2.69 H new ATOM 0 HE2 PHE B 14 1.242 1.712 -8.161 1.00 2.50 H new ATOM 0 HZ PHE B 14 0.788 3.790 -9.392 1.00 2.71 H new ATOM 1228 N ILE B 15 3.501 3.237 -3.077 1.00 0.58 N ATOM 1229 CA ILE B 15 2.282 2.786 -2.377 1.00 0.63 C ATOM 1230 C ILE B 15 1.708 4.053 -1.794 1.00 0.59 C ATOM 1231 O ILE B 15 0.513 4.248 -1.797 1.00 0.62 O ATOM 1232 CB ILE B 15 2.643 1.787 -1.265 1.00 0.69 C ATOM 1233 CG1 ILE B 15 3.224 0.544 -1.963 1.00 0.79 C ATOM 1234 CG2 ILE B 15 1.361 1.400 -0.500 1.00 0.82 C ATOM 1235 CD1 ILE B 15 3.634 -0.517 -0.948 1.00 0.93 C ATOM 0 H ILE B 15 4.390 2.869 -2.737 1.00 0.58 H new ATOM 0 HA ILE B 15 1.579 2.273 -3.034 1.00 0.63 H new ATOM 0 HB ILE B 15 3.357 2.211 -0.559 1.00 0.69 H new ATOM 0 HG12 ILE B 15 2.484 0.129 -2.648 1.00 0.79 H new ATOM 0 HG13 ILE B 15 4.088 0.831 -2.562 1.00 0.79 H new ATOM 0 HG21 ILE B 15 1.609 0.692 0.290 1.00 0.82 H new ATOM 0 HG22 ILE B 15 0.916 2.293 -0.061 1.00 0.82 H new ATOM 0 HG23 ILE B 15 0.651 0.942 -1.188 1.00 0.82 H new ATOM 0 HD11 ILE B 15 4.041 -1.383 -1.471 1.00 0.93 H new ATOM 0 HD12 ILE B 15 4.392 -0.108 -0.280 1.00 0.93 H new ATOM 0 HD13 ILE B 15 2.763 -0.820 -0.367 1.00 0.93 H new ATOM 1247 N ARG B 16 2.556 4.906 -1.303 1.00 0.58 N ATOM 1248 CA ARG B 16 1.975 6.149 -0.752 1.00 0.58 C ATOM 1249 C ARG B 16 1.267 6.884 -1.881 1.00 0.55 C ATOM 1250 O ARG B 16 0.233 7.483 -1.671 1.00 0.56 O ATOM 1251 CB ARG B 16 3.097 7.013 -0.149 1.00 0.60 C ATOM 1252 CG ARG B 16 3.524 6.304 1.130 1.00 0.82 C ATOM 1253 CD ARG B 16 4.543 7.137 1.924 1.00 1.04 C ATOM 1254 NE ARG B 16 3.929 8.445 2.287 1.00 1.57 N ATOM 1255 CZ ARG B 16 3.557 8.635 3.535 1.00 2.08 C ATOM 1256 NH1 ARG B 16 4.476 8.922 4.433 1.00 2.60 N ATOM 1257 NH2 ARG B 16 2.280 8.526 3.827 1.00 2.68 N ATOM 0 H ARG B 16 3.570 4.807 -1.259 1.00 0.58 H new ATOM 0 HA ARG B 16 1.257 5.926 0.038 1.00 0.58 H new ATOM 0 HB2 ARG B 16 3.933 7.107 -0.842 1.00 0.60 H new ATOM 0 HB3 ARG B 16 2.743 8.022 0.063 1.00 0.60 H new ATOM 0 HG2 ARG B 16 2.648 6.111 1.750 1.00 0.82 H new ATOM 0 HG3 ARG B 16 3.959 5.336 0.882 1.00 0.82 H new ATOM 0 HD2 ARG B 16 4.846 6.602 2.824 1.00 1.04 H new ATOM 0 HD3 ARG B 16 5.443 7.296 1.330 1.00 1.04 H new ATOM 0 HE ARG B 16 3.800 9.175 1.586 1.00 1.57 H new ATOM 0 HH11 ARG B 16 5.455 8.993 4.156 1.00 2.60 H new ATOM 0 HH12 ARG B 16 4.209 9.073 5.406 1.00 2.60 H new ATOM 0 HH21 ARG B 16 1.607 8.300 3.095 1.00 2.68 H new ATOM 0 HH22 ARG B 16 1.962 8.668 4.786 1.00 2.68 H new ATOM 1271 N SER B 17 1.825 6.818 -3.054 1.00 0.57 N ATOM 1272 CA SER B 17 1.170 7.529 -4.178 1.00 0.60 C ATOM 1273 C SER B 17 -0.188 6.875 -4.473 1.00 0.56 C ATOM 1274 O SER B 17 -1.140 7.545 -4.820 1.00 0.55 O ATOM 1275 CB SER B 17 2.076 7.441 -5.406 1.00 0.68 C ATOM 1276 OG SER B 17 3.372 7.787 -4.923 1.00 0.72 O ATOM 0 H SER B 17 2.684 6.316 -3.279 1.00 0.57 H new ATOM 0 HA SER B 17 1.007 8.575 -3.920 1.00 0.60 H new ATOM 0 HB2 SER B 17 2.067 6.439 -5.834 1.00 0.68 H new ATOM 0 HB3 SER B 17 1.749 8.125 -6.189 1.00 0.68 H new ATOM 0 HG SER B 17 3.330 8.653 -4.466 1.00 0.72 H new ATOM 1282 N GLN B 18 -0.255 5.584 -4.326 1.00 0.57 N ATOM 1283 CA GLN B 18 -1.535 4.897 -4.618 1.00 0.57 C ATOM 1284 C GLN B 18 -2.530 5.275 -3.544 1.00 0.51 C ATOM 1285 O GLN B 18 -3.570 5.832 -3.819 1.00 0.51 O ATOM 1286 CB GLN B 18 -1.327 3.381 -4.609 1.00 0.65 C ATOM 1287 CG GLN B 18 -0.374 2.984 -5.730 1.00 0.91 C ATOM 1288 CD GLN B 18 -0.090 1.486 -5.602 1.00 1.11 C ATOM 1289 OE1 GLN B 18 0.834 1.071 -4.933 1.00 1.80 O ATOM 1290 NE2 GLN B 18 -0.860 0.635 -6.221 1.00 1.05 N ATOM 0 H GLN B 18 0.511 4.983 -4.021 1.00 0.57 H new ATOM 0 HA GLN B 18 -1.902 5.195 -5.600 1.00 0.57 H new ATOM 0 HB2 GLN B 18 -0.923 3.066 -3.647 1.00 0.65 H new ATOM 0 HB3 GLN B 18 -2.283 2.873 -4.735 1.00 0.65 H new ATOM 0 HG2 GLN B 18 -0.815 3.206 -6.702 1.00 0.91 H new ATOM 0 HG3 GLN B 18 0.552 3.554 -5.662 1.00 0.91 H new ATOM 0 HE21 GLN B 18 -1.640 0.970 -6.786 1.00 1.05 H new ATOM 0 HE22 GLN B 18 -0.682 -0.366 -6.140 1.00 1.05 H new ATOM 1299 N THR B 19 -2.164 4.951 -2.343 1.00 0.48 N ATOM 1300 CA THR B 19 -3.022 5.242 -1.183 1.00 0.44 C ATOM 1301 C THR B 19 -3.529 6.681 -1.218 1.00 0.43 C ATOM 1302 O THR B 19 -4.643 6.936 -0.808 1.00 0.46 O ATOM 1303 CB THR B 19 -2.175 4.960 0.041 1.00 0.46 C ATOM 1304 OG1 THR B 19 -1.634 3.676 -0.247 1.00 0.56 O ATOM 1305 CG2 THR B 19 -3.055 4.730 1.269 1.00 0.48 C ATOM 0 H THR B 19 -1.285 4.486 -2.117 1.00 0.48 H new ATOM 0 HA THR B 19 -3.919 4.623 -1.180 1.00 0.44 H new ATOM 0 HB THR B 19 -1.471 5.769 0.234 1.00 0.46 H new ATOM 0 HG1 THR B 19 -0.759 3.778 -0.675 1.00 0.56 H new ATOM 0 HG21 THR B 19 -2.425 4.529 2.136 1.00 0.48 H new ATOM 0 HG22 THR B 19 -3.658 5.619 1.456 1.00 0.48 H new ATOM 0 HG23 THR B 19 -3.711 3.878 1.092 1.00 0.48 H new ATOM 1313 N LEU B 20 -2.723 7.586 -1.696 1.00 0.45 N ATOM 1314 CA LEU B 20 -3.216 8.984 -1.740 1.00 0.51 C ATOM 1315 C LEU B 20 -4.454 8.972 -2.625 1.00 0.53 C ATOM 1316 O LEU B 20 -5.525 9.413 -2.253 1.00 0.57 O ATOM 1317 CB LEU B 20 -2.149 9.895 -2.351 1.00 0.57 C ATOM 1318 CG LEU B 20 -2.700 11.332 -2.514 1.00 0.69 C ATOM 1319 CD1 LEU B 20 -3.114 11.916 -1.145 1.00 1.31 C ATOM 1320 CD2 LEU B 20 -1.609 12.214 -3.134 1.00 1.25 C ATOM 0 H LEU B 20 -1.778 7.426 -2.046 1.00 0.45 H new ATOM 0 HA LEU B 20 -3.443 9.357 -0.741 1.00 0.51 H new ATOM 0 HB2 LEU B 20 -1.264 9.907 -1.715 1.00 0.57 H new ATOM 0 HB3 LEU B 20 -1.839 9.505 -3.320 1.00 0.57 H new ATOM 0 HG LEU B 20 -3.578 11.305 -3.159 1.00 0.69 H new ATOM 0 HD11 LEU B 20 -3.499 12.927 -1.282 1.00 1.31 H new ATOM 0 HD12 LEU B 20 -3.888 11.290 -0.702 1.00 1.31 H new ATOM 0 HD13 LEU B 20 -2.248 11.944 -0.484 1.00 1.31 H new ATOM 0 HD21 LEU B 20 -1.986 13.230 -3.254 1.00 1.25 H new ATOM 0 HD22 LEU B 20 -0.736 12.226 -2.481 1.00 1.25 H new ATOM 0 HD23 LEU B 20 -1.328 11.814 -4.108 1.00 1.25 H new ATOM 1332 N THR B 21 -4.237 8.440 -3.789 1.00 0.59 N ATOM 1333 CA THR B 21 -5.308 8.340 -4.799 1.00 0.70 C ATOM 1334 C THR B 21 -6.483 7.491 -4.281 1.00 0.63 C ATOM 1335 O THR B 21 -7.570 7.539 -4.830 1.00 0.69 O ATOM 1336 CB THR B 21 -4.637 7.743 -6.026 1.00 0.85 C ATOM 1337 OG1 THR B 21 -3.462 8.532 -6.154 1.00 0.87 O ATOM 1338 CG2 THR B 21 -5.441 8.030 -7.293 1.00 1.02 C ATOM 0 H THR B 21 -3.338 8.062 -4.086 1.00 0.59 H new ATOM 0 HA THR B 21 -5.753 9.306 -5.035 1.00 0.70 H new ATOM 0 HB THR B 21 -4.504 6.666 -5.919 1.00 0.85 H new ATOM 0 HG1 THR B 21 -2.695 8.036 -5.800 1.00 0.87 H new ATOM 0 HG21 THR B 21 -4.935 7.590 -8.152 1.00 1.02 H new ATOM 0 HG22 THR B 21 -6.437 7.597 -7.198 1.00 1.02 H new ATOM 0 HG23 THR B 21 -5.525 9.108 -7.434 1.00 1.02 H new ATOM 1346 N LEU B 22 -6.251 6.722 -3.250 1.00 0.54 N ATOM 1347 CA LEU B 22 -7.369 5.899 -2.719 1.00 0.52 C ATOM 1348 C LEU B 22 -8.121 6.687 -1.665 1.00 0.45 C ATOM 1349 O LEU B 22 -9.318 6.536 -1.538 1.00 0.49 O ATOM 1350 CB LEU B 22 -6.839 4.611 -2.079 1.00 0.59 C ATOM 1351 CG LEU B 22 -6.107 3.734 -3.123 1.00 0.89 C ATOM 1352 CD1 LEU B 22 -5.585 2.473 -2.425 1.00 1.71 C ATOM 1353 CD2 LEU B 22 -7.066 3.296 -4.249 1.00 1.25 C ATOM 0 H LEU B 22 -5.358 6.630 -2.765 1.00 0.54 H new ATOM 0 HA LEU B 22 -8.029 5.643 -3.548 1.00 0.52 H new ATOM 0 HB2 LEU B 22 -6.158 4.859 -1.265 1.00 0.59 H new ATOM 0 HB3 LEU B 22 -7.666 4.050 -1.643 1.00 0.59 H new ATOM 0 HG LEU B 22 -5.293 4.317 -3.555 1.00 0.89 H new ATOM 0 HD11 LEU B 22 -5.066 1.845 -3.149 1.00 1.71 H new ATOM 0 HD12 LEU B 22 -4.895 2.756 -1.630 1.00 1.71 H new ATOM 0 HD13 LEU B 22 -6.422 1.920 -1.999 1.00 1.71 H new ATOM 0 HD21 LEU B 22 -6.525 2.681 -4.969 1.00 1.25 H new ATOM 0 HD22 LEU B 22 -7.887 2.719 -3.824 1.00 1.25 H new ATOM 0 HD23 LEU B 22 -7.464 4.178 -4.752 1.00 1.25 H new ATOM 1365 N LEU B 23 -7.419 7.504 -0.930 1.00 0.43 N ATOM 1366 CA LEU B 23 -8.116 8.296 0.121 1.00 0.44 C ATOM 1367 C LEU B 23 -9.152 9.109 -0.604 1.00 0.48 C ATOM 1368 O LEU B 23 -10.291 9.204 -0.198 1.00 0.52 O ATOM 1369 CB LEU B 23 -7.144 9.250 0.824 1.00 0.53 C ATOM 1370 CG LEU B 23 -7.924 10.231 1.745 1.00 0.73 C ATOM 1371 CD1 LEU B 23 -8.681 9.458 2.831 1.00 1.08 C ATOM 1372 CD2 LEU B 23 -6.920 11.171 2.426 1.00 1.05 C ATOM 0 H LEU B 23 -6.413 7.656 -1.008 1.00 0.43 H new ATOM 0 HA LEU B 23 -8.545 7.640 0.879 1.00 0.44 H new ATOM 0 HB2 LEU B 23 -6.426 8.680 1.413 1.00 0.53 H new ATOM 0 HB3 LEU B 23 -6.574 9.811 0.083 1.00 0.53 H new ATOM 0 HG LEU B 23 -8.637 10.794 1.142 1.00 0.73 H new ATOM 0 HD11 LEU B 23 -9.222 10.159 3.467 1.00 1.08 H new ATOM 0 HD12 LEU B 23 -9.388 8.773 2.364 1.00 1.08 H new ATOM 0 HD13 LEU B 23 -7.972 8.892 3.436 1.00 1.08 H new ATOM 0 HD21 LEU B 23 -7.454 11.865 3.075 1.00 1.05 H new ATOM 0 HD22 LEU B 23 -6.218 10.585 3.020 1.00 1.05 H new ATOM 0 HD23 LEU B 23 -6.374 11.731 1.667 1.00 1.05 H new ATOM 1384 N GLU B 24 -8.662 9.657 -1.674 1.00 0.57 N ATOM 1385 CA GLU B 24 -9.474 10.509 -2.562 1.00 0.71 C ATOM 1386 C GLU B 24 -10.833 9.858 -2.768 1.00 0.67 C ATOM 1387 O GLU B 24 -11.861 10.315 -2.318 1.00 0.69 O ATOM 1388 CB GLU B 24 -8.713 10.629 -3.876 1.00 0.90 C ATOM 1389 CG GLU B 24 -9.468 11.415 -4.933 1.00 1.37 C ATOM 1390 CD GLU B 24 -9.118 10.754 -6.258 1.00 1.52 C ATOM 1391 OE1 GLU B 24 -7.951 10.443 -6.429 1.00 1.83 O ATOM 1392 OE2 GLU B 24 -10.035 10.577 -7.041 1.00 1.84 O ATOM 0 H GLU B 24 -7.695 9.542 -1.976 1.00 0.57 H new ATOM 0 HA GLU B 24 -9.642 11.500 -2.139 1.00 0.71 H new ATOM 0 HB2 GLU B 24 -7.753 11.111 -3.690 1.00 0.90 H new ATOM 0 HB3 GLU B 24 -8.500 9.631 -4.258 1.00 0.90 H new ATOM 0 HG2 GLU B 24 -10.542 11.385 -4.751 1.00 1.37 H new ATOM 0 HG3 GLU B 24 -9.173 12.464 -4.928 1.00 1.37 H new ATOM 1399 N LYS B 25 -10.760 8.769 -3.462 1.00 0.67 N ATOM 1400 CA LYS B 25 -11.987 8.025 -3.822 1.00 0.72 C ATOM 1401 C LYS B 25 -12.769 7.475 -2.643 1.00 0.68 C ATOM 1402 O LYS B 25 -13.930 7.792 -2.494 1.00 0.75 O ATOM 1403 CB LYS B 25 -11.554 6.911 -4.758 1.00 0.81 C ATOM 1404 CG LYS B 25 -10.853 7.604 -5.945 1.00 0.95 C ATOM 1405 CD LYS B 25 -10.366 6.571 -6.948 1.00 1.36 C ATOM 1406 CE LYS B 25 -9.785 7.337 -8.153 1.00 1.57 C ATOM 1407 NZ LYS B 25 -8.682 8.245 -7.740 1.00 1.86 N ATOM 0 H LYS B 25 -9.891 8.356 -3.800 1.00 0.67 H new ATOM 0 HA LYS B 25 -12.686 8.717 -4.292 1.00 0.72 H new ATOM 0 HB2 LYS B 25 -10.878 6.219 -4.255 1.00 0.81 H new ATOM 0 HB3 LYS B 25 -12.412 6.330 -5.096 1.00 0.81 H new ATOM 0 HG2 LYS B 25 -11.543 8.295 -6.430 1.00 0.95 H new ATOM 0 HG3 LYS B 25 -10.011 8.195 -5.584 1.00 0.95 H new ATOM 0 HD2 LYS B 25 -9.608 5.928 -6.500 1.00 1.36 H new ATOM 0 HD3 LYS B 25 -11.186 5.925 -7.263 1.00 1.36 H new ATOM 0 HE2 LYS B 25 -9.416 6.627 -8.893 1.00 1.57 H new ATOM 0 HE3 LYS B 25 -10.574 7.916 -8.633 1.00 1.57 H new ATOM 0 HZ1 LYS B 25 -9.007 9.232 -7.792 1.00 1.86 H new ATOM 0 HZ2 LYS B 25 -8.398 8.025 -6.764 1.00 1.86 H new ATOM 0 HZ3 LYS B 25 -7.869 8.114 -8.375 1.00 1.86 H new ATOM 1421 N LEU B 26 -12.131 6.670 -1.840 1.00 0.65 N ATOM 1422 CA LEU B 26 -12.845 6.080 -0.670 1.00 0.67 C ATOM 1423 C LEU B 26 -13.619 7.140 0.085 1.00 0.65 C ATOM 1424 O LEU B 26 -14.714 6.903 0.554 1.00 0.73 O ATOM 1425 CB LEU B 26 -11.854 5.448 0.306 1.00 0.68 C ATOM 1426 CG LEU B 26 -11.146 4.225 -0.316 1.00 0.80 C ATOM 1427 CD1 LEU B 26 -10.084 3.725 0.680 1.00 1.21 C ATOM 1428 CD2 LEU B 26 -12.161 3.087 -0.561 1.00 1.22 C ATOM 0 H LEU B 26 -11.154 6.396 -1.940 1.00 0.65 H new ATOM 0 HA LEU B 26 -13.527 5.325 -1.061 1.00 0.67 H new ATOM 0 HB2 LEU B 26 -11.111 6.188 0.601 1.00 0.68 H new ATOM 0 HB3 LEU B 26 -12.378 5.144 1.212 1.00 0.68 H new ATOM 0 HG LEU B 26 -10.693 4.512 -1.265 1.00 0.80 H new ATOM 0 HD11 LEU B 26 -9.571 2.860 0.261 1.00 1.21 H new ATOM 0 HD12 LEU B 26 -9.362 4.519 0.870 1.00 1.21 H new ATOM 0 HD13 LEU B 26 -10.567 3.442 1.615 1.00 1.21 H new ATOM 0 HD21 LEU B 26 -11.649 2.231 -1.000 1.00 1.22 H new ATOM 0 HD22 LEU B 26 -12.613 2.793 0.386 1.00 1.22 H new ATOM 0 HD23 LEU B 26 -12.938 3.433 -1.242 1.00 1.22 H new ATOM 1440 N ASN B 27 -13.021 8.287 0.178 1.00 0.60 N ATOM 1441 CA ASN B 27 -13.695 9.379 0.914 1.00 0.66 C ATOM 1442 C ASN B 27 -15.047 9.659 0.283 1.00 0.68 C ATOM 1443 O ASN B 27 -16.063 9.606 0.948 1.00 0.79 O ATOM 1444 CB ASN B 27 -12.848 10.628 0.851 1.00 0.76 C ATOM 1445 CG ASN B 27 -13.492 11.693 1.730 1.00 1.02 C ATOM 1446 OD1 ASN B 27 -13.956 11.418 2.821 1.00 1.70 O ATOM 1447 ND2 ASN B 27 -13.532 12.918 1.293 1.00 1.70 N ATOM 0 H ASN B 27 -12.108 8.514 -0.217 1.00 0.60 H new ATOM 0 HA ASN B 27 -13.832 9.082 1.954 1.00 0.66 H new ATOM 0 HB2 ASN B 27 -11.835 10.416 1.193 1.00 0.76 H new ATOM 0 HB3 ASN B 27 -12.770 10.982 -0.177 1.00 0.76 H new ATOM 0 HD21 ASN B 27 -13.953 13.650 1.865 1.00 1.70 H new ATOM 0 HD22 ASN B 27 -13.142 13.146 0.378 1.00 1.70 H new ATOM 1454 N GLU B 28 -15.036 9.943 -0.988 1.00 0.70 N ATOM 1455 CA GLU B 28 -16.328 10.244 -1.661 1.00 0.83 C ATOM 1456 C GLU B 28 -17.236 9.023 -1.639 1.00 0.86 C ATOM 1457 O GLU B 28 -18.439 9.148 -1.745 1.00 0.97 O ATOM 1458 CB GLU B 28 -16.095 10.634 -3.117 1.00 1.00 C ATOM 1459 CG GLU B 28 -14.887 11.563 -3.221 1.00 1.12 C ATOM 1460 CD GLU B 28 -15.051 12.700 -2.223 1.00 1.86 C ATOM 1461 OE1 GLU B 28 -16.083 13.343 -2.299 1.00 2.24 O ATOM 1462 OE2 GLU B 28 -14.130 12.854 -1.441 1.00 2.61 O ATOM 0 H GLU B 28 -14.206 9.980 -1.580 1.00 0.70 H new ATOM 0 HA GLU B 28 -16.796 11.069 -1.124 1.00 0.83 H new ATOM 0 HB2 GLU B 28 -15.930 9.741 -3.720 1.00 1.00 H new ATOM 0 HB3 GLU B 28 -16.980 11.129 -3.516 1.00 1.00 H new ATOM 0 HG2 GLU B 28 -13.969 11.012 -3.017 1.00 1.12 H new ATOM 0 HG3 GLU B 28 -14.802 11.959 -4.233 1.00 1.12 H new ATOM 1469 N LEU B 29 -16.655 7.864 -1.502 1.00 0.84 N ATOM 1470 CA LEU B 29 -17.498 6.637 -1.484 1.00 0.98 C ATOM 1471 C LEU B 29 -17.972 6.367 -0.069 1.00 1.03 C ATOM 1472 O LEU B 29 -18.175 5.219 0.275 1.00 1.19 O ATOM 1473 CB LEU B 29 -16.696 5.425 -1.961 1.00 1.02 C ATOM 1474 CG LEU B 29 -16.155 5.667 -3.388 1.00 1.07 C ATOM 1475 CD1 LEU B 29 -15.246 4.491 -3.780 1.00 1.79 C ATOM 1476 CD2 LEU B 29 -17.319 5.760 -4.393 1.00 1.43 C ATOM 0 H LEU B 29 -15.651 7.714 -1.403 1.00 0.84 H new ATOM 0 HA LEU B 29 -18.347 6.797 -2.149 1.00 0.98 H new ATOM 0 HB2 LEU B 29 -15.868 5.237 -1.278 1.00 1.02 H new ATOM 0 HB3 LEU B 29 -17.327 4.536 -1.950 1.00 1.02 H new ATOM 0 HG LEU B 29 -15.596 6.603 -3.406 1.00 1.07 H new ATOM 0 HD11 LEU B 29 -14.858 4.651 -4.786 1.00 1.79 H new ATOM 0 HD12 LEU B 29 -14.416 4.423 -3.077 1.00 1.79 H new ATOM 0 HD13 LEU B 29 -15.819 3.564 -3.755 1.00 1.79 H new ATOM 0 HD21 LEU B 29 -16.923 5.931 -5.394 1.00 1.43 H new ATOM 0 HD22 LEU B 29 -17.885 4.829 -4.381 1.00 1.43 H new ATOM 0 HD23 LEU B 29 -17.974 6.586 -4.116 1.00 1.43 H new ATOM 1488 N ASP B 30 -18.116 7.430 0.685 1.00 0.98 N ATOM 1489 CA ASP B 30 -18.583 7.335 2.101 1.00 1.11 C ATOM 1490 C ASP B 30 -17.983 6.094 2.733 1.00 1.16 C ATOM 1491 O ASP B 30 -18.632 5.266 3.340 1.00 1.63 O ATOM 1492 CB ASP B 30 -20.113 7.280 2.104 1.00 1.35 C ATOM 1493 CG ASP B 30 -20.632 7.077 3.523 1.00 1.82 C ATOM 1494 OD1 ASP B 30 -20.313 7.930 4.332 1.00 2.23 O ATOM 1495 OD2 ASP B 30 -21.316 6.084 3.710 1.00 2.45 O ATOM 0 H ASP B 30 -17.924 8.381 0.369 1.00 0.98 H new ATOM 0 HA ASP B 30 -18.264 8.201 2.681 1.00 1.11 H new ATOM 0 HB2 ASP B 30 -20.518 8.204 1.690 1.00 1.35 H new ATOM 0 HB3 ASP B 30 -20.456 6.467 1.464 1.00 1.35 H new ATOM 1500 N ALA B 31 -16.702 6.001 2.543 1.00 0.84 N ATOM 1501 CA ALA B 31 -15.936 4.859 3.095 1.00 0.87 C ATOM 1502 C ALA B 31 -14.939 5.591 3.963 1.00 0.76 C ATOM 1503 O ALA B 31 -13.744 5.391 3.871 1.00 0.75 O ATOM 1504 CB ALA B 31 -15.235 4.089 1.953 1.00 0.89 C ATOM 0 H ALA B 31 -16.146 6.678 2.021 1.00 0.84 H new ATOM 0 HA ALA B 31 -16.525 4.111 3.626 1.00 0.87 H new ATOM 0 HB1 ALA B 31 -14.675 3.252 2.369 1.00 0.89 H new ATOM 0 HB2 ALA B 31 -15.983 3.714 1.254 1.00 0.89 H new ATOM 0 HB3 ALA B 31 -14.552 4.758 1.429 1.00 0.89 H new ATOM 1510 N ASP B 32 -15.496 6.434 4.786 1.00 0.85 N ATOM 1511 CA ASP B 32 -14.674 7.271 5.705 1.00 0.87 C ATOM 1512 C ASP B 32 -13.911 6.402 6.673 1.00 0.79 C ATOM 1513 O ASP B 32 -12.801 6.726 7.040 1.00 0.74 O ATOM 1514 CB ASP B 32 -15.541 8.203 6.536 1.00 1.11 C ATOM 1515 CG ASP B 32 -16.307 7.362 7.553 1.00 2.05 C ATOM 1516 OD1 ASP B 32 -17.036 6.493 7.103 1.00 2.57 O ATOM 1517 OD2 ASP B 32 -16.115 7.631 8.724 1.00 2.83 O ATOM 0 H ASP B 32 -16.502 6.581 4.862 1.00 0.85 H new ATOM 0 HA ASP B 32 -13.996 7.848 5.076 1.00 0.87 H new ATOM 0 HB2 ASP B 32 -14.924 8.944 7.044 1.00 1.11 H new ATOM 0 HB3 ASP B 32 -16.234 8.749 5.896 1.00 1.11 H new ATOM 1522 N GLU B 33 -14.505 5.320 7.077 1.00 0.86 N ATOM 1523 CA GLU B 33 -13.782 4.441 8.022 1.00 0.90 C ATOM 1524 C GLU B 33 -12.546 4.018 7.267 1.00 0.78 C ATOM 1525 O GLU B 33 -11.427 4.145 7.723 1.00 0.79 O ATOM 1526 CB GLU B 33 -14.686 3.237 8.372 1.00 1.07 C ATOM 1527 CG GLU B 33 -13.970 2.222 9.271 1.00 1.58 C ATOM 1528 CD GLU B 33 -13.536 1.041 8.407 1.00 1.74 C ATOM 1529 OE1 GLU B 33 -12.526 1.167 7.740 1.00 2.15 O ATOM 1530 OE2 GLU B 33 -14.252 0.058 8.457 1.00 2.11 O ATOM 0 H GLU B 33 -15.438 5.012 6.801 1.00 0.86 H new ATOM 0 HA GLU B 33 -13.519 4.921 8.965 1.00 0.90 H new ATOM 0 HB2 GLU B 33 -15.586 3.593 8.873 1.00 1.07 H new ATOM 0 HB3 GLU B 33 -15.006 2.745 7.453 1.00 1.07 H new ATOM 0 HG2 GLU B 33 -13.105 2.682 9.749 1.00 1.58 H new ATOM 0 HG3 GLU B 33 -14.633 1.886 10.068 1.00 1.58 H new ATOM 1537 N GLN B 34 -12.793 3.529 6.094 1.00 0.71 N ATOM 1538 CA GLN B 34 -11.655 3.060 5.282 1.00 0.67 C ATOM 1539 C GLN B 34 -10.775 4.226 4.892 1.00 0.57 C ATOM 1540 O GLN B 34 -9.652 4.024 4.480 1.00 0.53 O ATOM 1541 CB GLN B 34 -12.169 2.370 4.029 1.00 0.72 C ATOM 1542 CG GLN B 34 -12.959 1.127 4.444 1.00 0.88 C ATOM 1543 CD GLN B 34 -14.357 1.498 4.950 1.00 1.49 C ATOM 1544 OE1 GLN B 34 -14.964 2.441 4.485 1.00 2.26 O ATOM 1545 NE2 GLN B 34 -14.914 0.798 5.893 1.00 1.80 N ATOM 0 H GLN B 34 -13.716 3.435 5.670 1.00 0.71 H new ATOM 0 HA GLN B 34 -11.069 2.355 5.872 1.00 0.67 H new ATOM 0 HB2 GLN B 34 -12.803 3.048 3.457 1.00 0.72 H new ATOM 0 HB3 GLN B 34 -11.337 2.091 3.383 1.00 0.72 H new ATOM 0 HG2 GLN B 34 -13.045 0.449 3.595 1.00 0.88 H new ATOM 0 HG3 GLN B 34 -12.417 0.593 5.225 1.00 0.88 H new ATOM 0 HE21 GLN B 34 -14.420 0.002 6.297 1.00 1.80 H new ATOM 0 HE22 GLN B 34 -15.845 1.045 6.229 1.00 1.80 H new ATOM 1554 N ALA B 35 -11.287 5.417 5.018 1.00 0.58 N ATOM 1555 CA ALA B 35 -10.437 6.576 4.654 1.00 0.56 C ATOM 1556 C ALA B 35 -9.362 6.640 5.715 1.00 0.56 C ATOM 1557 O ALA B 35 -8.205 6.814 5.401 1.00 0.54 O ATOM 1558 CB ALA B 35 -11.222 7.885 4.683 1.00 0.65 C ATOM 0 H ALA B 35 -12.228 5.633 5.347 1.00 0.58 H new ATOM 0 HA ALA B 35 -10.044 6.453 3.645 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -10.564 8.710 4.411 1.00 0.65 H new ATOM 0 HB2 ALA B 35 -12.048 7.830 3.974 1.00 0.65 H new ATOM 0 HB3 ALA B 35 -11.616 8.051 5.686 1.00 0.65 H new ATOM 1564 N ASP B 36 -9.774 6.494 6.945 1.00 0.62 N ATOM 1565 CA ASP B 36 -8.760 6.538 8.039 1.00 0.67 C ATOM 1566 C ASP B 36 -7.749 5.475 7.742 1.00 0.60 C ATOM 1567 O ASP B 36 -6.565 5.713 7.638 1.00 0.62 O ATOM 1568 CB ASP B 36 -9.341 6.199 9.401 1.00 0.79 C ATOM 1569 CG ASP B 36 -8.154 5.989 10.352 1.00 1.21 C ATOM 1570 OD1 ASP B 36 -7.737 6.994 10.901 1.00 1.65 O ATOM 1571 OD2 ASP B 36 -7.729 4.850 10.481 1.00 1.67 O ATOM 0 H ASP B 36 -10.741 6.350 7.236 1.00 0.62 H new ATOM 0 HA ASP B 36 -8.354 7.549 8.076 1.00 0.67 H new ATOM 0 HB2 ASP B 36 -9.984 7.004 9.758 1.00 0.79 H new ATOM 0 HB3 ASP B 36 -9.956 5.300 9.346 1.00 0.79 H new ATOM 1576 N ILE B 37 -8.283 4.299 7.614 1.00 0.55 N ATOM 1577 CA ILE B 37 -7.427 3.130 7.330 1.00 0.52 C ATOM 1578 C ILE B 37 -6.552 3.431 6.119 1.00 0.47 C ATOM 1579 O ILE B 37 -5.439 2.955 6.022 1.00 0.50 O ATOM 1580 CB ILE B 37 -8.338 1.924 7.058 1.00 0.53 C ATOM 1581 CG1 ILE B 37 -9.306 1.674 8.240 1.00 0.68 C ATOM 1582 CG2 ILE B 37 -7.502 0.676 6.821 1.00 0.57 C ATOM 1583 CD1 ILE B 37 -8.551 1.408 9.549 1.00 1.12 C ATOM 0 H ILE B 37 -9.280 4.099 7.695 1.00 0.55 H new ATOM 0 HA ILE B 37 -6.777 2.909 8.176 1.00 0.52 H new ATOM 0 HB ILE B 37 -8.925 2.147 6.167 1.00 0.53 H new ATOM 0 HG12 ILE B 37 -9.957 2.539 8.365 1.00 0.68 H new ATOM 0 HG13 ILE B 37 -9.947 0.823 8.011 1.00 0.68 H new ATOM 0 HG21 ILE B 37 -8.160 -0.172 6.629 1.00 0.57 H new ATOM 0 HG22 ILE B 37 -6.851 0.832 5.961 1.00 0.57 H new ATOM 0 HG23 ILE B 37 -6.895 0.472 7.703 1.00 0.57 H new ATOM 0 HD11 ILE B 37 -9.266 1.238 10.353 1.00 1.12 H new ATOM 0 HD12 ILE B 37 -7.920 0.527 9.432 1.00 1.12 H new ATOM 0 HD13 ILE B 37 -7.930 2.270 9.792 1.00 1.12 H new ATOM 1595 N CYS B 38 -7.062 4.216 5.217 1.00 0.45 N ATOM 1596 CA CYS B 38 -6.257 4.516 4.012 1.00 0.47 C ATOM 1597 C CYS B 38 -5.070 5.349 4.425 1.00 0.50 C ATOM 1598 O CYS B 38 -3.972 5.087 3.990 1.00 0.57 O ATOM 1599 CB CYS B 38 -7.080 5.302 2.985 1.00 0.48 C ATOM 1600 SG CYS B 38 -6.337 5.574 1.359 1.00 0.70 S ATOM 0 H CYS B 38 -7.982 4.654 5.261 1.00 0.45 H new ATOM 0 HA CYS B 38 -5.938 3.578 3.557 1.00 0.47 H new ATOM 0 HB2 CYS B 38 -8.026 4.780 2.840 1.00 0.48 H new ATOM 0 HB3 CYS B 38 -7.315 6.275 3.415 1.00 0.48 H new ATOM 0 HG CYS B 38 -5.895 4.445 0.890 1.00 0.70 H new ATOM 1606 N GLU B 39 -5.290 6.327 5.250 1.00 0.54 N ATOM 1607 CA GLU B 39 -4.138 7.164 5.654 1.00 0.62 C ATOM 1608 C GLU B 39 -3.223 6.358 6.568 1.00 0.58 C ATOM 1609 O GLU B 39 -2.023 6.532 6.585 1.00 0.57 O ATOM 1610 CB GLU B 39 -4.693 8.398 6.349 1.00 0.75 C ATOM 1611 CG GLU B 39 -5.584 9.096 5.318 1.00 1.35 C ATOM 1612 CD GLU B 39 -6.157 10.363 5.938 1.00 2.07 C ATOM 1613 OE1 GLU B 39 -5.358 11.257 6.163 1.00 2.82 O ATOM 1614 OE2 GLU B 39 -7.359 10.356 6.144 1.00 2.39 O ATOM 0 H GLU B 39 -6.193 6.578 5.653 1.00 0.54 H new ATOM 0 HA GLU B 39 -3.543 7.474 4.795 1.00 0.62 H new ATOM 0 HB2 GLU B 39 -5.264 8.123 7.236 1.00 0.75 H new ATOM 0 HB3 GLU B 39 -3.889 9.055 6.679 1.00 0.75 H new ATOM 0 HG2 GLU B 39 -5.008 9.340 4.426 1.00 1.35 H new ATOM 0 HG3 GLU B 39 -6.390 8.432 5.005 1.00 1.35 H new ATOM 1621 N SER B 40 -3.793 5.473 7.319 1.00 0.63 N ATOM 1622 CA SER B 40 -2.933 4.671 8.209 1.00 0.64 C ATOM 1623 C SER B 40 -2.077 3.759 7.332 1.00 0.58 C ATOM 1624 O SER B 40 -0.943 3.455 7.642 1.00 0.63 O ATOM 1625 CB SER B 40 -3.862 3.893 9.130 1.00 0.72 C ATOM 1626 OG SER B 40 -4.626 4.941 9.714 1.00 0.77 O ATOM 0 H SER B 40 -4.792 5.273 7.356 1.00 0.63 H new ATOM 0 HA SER B 40 -2.259 5.272 8.819 1.00 0.64 H new ATOM 0 HB2 SER B 40 -4.486 3.187 8.582 1.00 0.72 H new ATOM 0 HB3 SER B 40 -3.313 3.320 9.877 1.00 0.72 H new ATOM 0 HG SER B 40 -5.395 5.144 9.141 1.00 0.77 H new ATOM 1632 N LEU B 41 -2.650 3.345 6.242 1.00 0.54 N ATOM 1633 CA LEU B 41 -1.903 2.448 5.324 1.00 0.53 C ATOM 1634 C LEU B 41 -0.858 3.321 4.662 1.00 0.50 C ATOM 1635 O LEU B 41 0.276 2.938 4.460 1.00 0.55 O ATOM 1636 CB LEU B 41 -2.909 1.872 4.302 1.00 0.56 C ATOM 1637 CG LEU B 41 -2.351 0.773 3.348 1.00 0.63 C ATOM 1638 CD1 LEU B 41 -1.395 1.325 2.264 1.00 1.05 C ATOM 1639 CD2 LEU B 41 -1.619 -0.291 4.171 1.00 1.22 C ATOM 0 H LEU B 41 -3.596 3.586 5.948 1.00 0.54 H new ATOM 0 HA LEU B 41 -1.421 1.608 5.824 1.00 0.53 H new ATOM 0 HB2 LEU B 41 -3.756 1.457 4.848 1.00 0.56 H new ATOM 0 HB3 LEU B 41 -3.292 2.693 3.696 1.00 0.56 H new ATOM 0 HG LEU B 41 -3.208 0.347 2.827 1.00 0.63 H new ATOM 0 HD11 LEU B 41 -1.045 0.506 1.636 1.00 1.05 H new ATOM 0 HD12 LEU B 41 -1.924 2.053 1.649 1.00 1.05 H new ATOM 0 HD13 LEU B 41 -0.542 1.806 2.742 1.00 1.05 H new ATOM 0 HD21 LEU B 41 -1.228 -1.061 3.505 1.00 1.22 H new ATOM 0 HD22 LEU B 41 -0.795 0.172 4.714 1.00 1.22 H new ATOM 0 HD23 LEU B 41 -2.312 -0.743 4.880 1.00 1.22 H new ATOM 1651 N HIS B 42 -1.313 4.496 4.354 1.00 0.50 N ATOM 1652 CA HIS B 42 -0.470 5.501 3.665 1.00 0.53 C ATOM 1653 C HIS B 42 0.869 5.619 4.357 1.00 0.55 C ATOM 1654 O HIS B 42 1.896 5.386 3.757 1.00 0.63 O ATOM 1655 CB HIS B 42 -1.203 6.841 3.690 1.00 0.54 C ATOM 1656 CG HIS B 42 -0.561 7.866 2.773 1.00 0.60 C ATOM 1657 ND1 HIS B 42 -0.006 7.623 1.632 1.00 0.61 N ATOM 1658 CD2 HIS B 42 -0.436 9.233 2.941 1.00 1.21 C ATOM 1659 CE1 HIS B 42 0.427 8.732 1.127 1.00 0.64 C ATOM 1660 NE2 HIS B 42 0.183 9.757 1.904 1.00 1.13 N ATOM 0 H HIS B 42 -2.262 4.810 4.557 1.00 0.50 H new ATOM 0 HA HIS B 42 -0.291 5.197 2.634 1.00 0.53 H new ATOM 0 HB2 HIS B 42 -2.241 6.690 3.393 1.00 0.54 H new ATOM 0 HB3 HIS B 42 -1.216 7.227 4.709 1.00 0.54 H new ATOM 0 HD2 HIS B 42 -0.793 9.788 3.796 1.00 1.21 H new ATOM 0 HE1 HIS B 42 0.931 8.804 0.175 1.00 0.64 H new ATOM 0 HE2 HIS B 42 0.418 10.736 1.743 1.00 1.13 H new ATOM 1668 N ASP B 43 0.851 5.971 5.606 1.00 0.56 N ATOM 1669 CA ASP B 43 2.168 6.108 6.279 1.00 0.64 C ATOM 1670 C ASP B 43 2.735 4.785 6.699 1.00 0.60 C ATOM 1671 O ASP B 43 3.913 4.686 6.965 1.00 0.62 O ATOM 1672 CB ASP B 43 2.019 7.005 7.482 1.00 0.80 C ATOM 1673 CG ASP B 43 1.834 8.386 6.876 1.00 1.22 C ATOM 1674 OD1 ASP B 43 0.723 8.656 6.454 1.00 1.51 O ATOM 1675 OD2 ASP B 43 2.817 9.104 6.843 1.00 1.86 O ATOM 0 H ASP B 43 0.024 6.163 6.171 1.00 0.56 H new ATOM 0 HA ASP B 43 2.864 6.543 5.563 1.00 0.64 H new ATOM 0 HB2 ASP B 43 1.164 6.717 8.093 1.00 0.80 H new ATOM 0 HB3 ASP B 43 2.898 6.964 8.125 1.00 0.80 H new ATOM 1680 N HIS B 44 1.912 3.779 6.759 1.00 0.60 N ATOM 1681 CA HIS B 44 2.494 2.469 7.147 1.00 0.63 C ATOM 1682 C HIS B 44 3.452 2.134 6.015 1.00 0.60 C ATOM 1683 O HIS B 44 4.465 1.488 6.184 1.00 0.68 O ATOM 1684 CB HIS B 44 1.397 1.409 7.238 1.00 0.65 C ATOM 1685 CG HIS B 44 2.011 0.044 7.565 1.00 1.02 C ATOM 1686 ND1 HIS B 44 3.221 -0.184 7.964 1.00 1.67 N ATOM 1687 CD2 HIS B 44 1.435 -1.214 7.509 1.00 1.54 C ATOM 1688 CE1 HIS B 44 3.391 -1.454 8.140 1.00 2.24 C ATOM 1689 NE2 HIS B 44 2.306 -2.134 7.869 1.00 2.16 N ATOM 0 H HIS B 44 0.910 3.800 6.567 1.00 0.60 H new ATOM 0 HA HIS B 44 2.987 2.502 8.119 1.00 0.63 H new ATOM 0 HB2 HIS B 44 0.676 1.686 8.007 1.00 0.65 H new ATOM 0 HB3 HIS B 44 0.853 1.355 6.295 1.00 0.65 H new ATOM 0 HD1 HIS B 44 3.933 0.530 8.117 1.00 1.67 H new ATOM 0 HD2 HIS B 44 0.416 -1.413 7.212 1.00 1.54 H new ATOM 0 HE1 HIS B 44 4.317 -1.900 8.471 1.00 2.24 H new ATOM 1697 N ALA B 45 3.099 2.599 4.850 1.00 0.57 N ATOM 1698 CA ALA B 45 3.973 2.320 3.683 1.00 0.62 C ATOM 1699 C ALA B 45 5.238 3.136 3.828 1.00 0.59 C ATOM 1700 O ALA B 45 6.293 2.765 3.352 1.00 0.61 O ATOM 1701 CB ALA B 45 3.285 2.725 2.386 1.00 0.70 C ATOM 0 H ALA B 45 2.261 3.148 4.659 1.00 0.57 H new ATOM 0 HA ALA B 45 4.192 1.253 3.650 1.00 0.62 H new ATOM 0 HB1 ALA B 45 3.943 2.512 1.543 1.00 0.70 H new ATOM 0 HB2 ALA B 45 2.358 2.162 2.274 1.00 0.70 H new ATOM 0 HB3 ALA B 45 3.061 3.791 2.411 1.00 0.70 H new ATOM 1707 N ASP B 46 5.089 4.243 4.493 1.00 0.60 N ATOM 1708 CA ASP B 46 6.265 5.129 4.680 1.00 0.65 C ATOM 1709 C ASP B 46 7.293 4.412 5.506 1.00 0.65 C ATOM 1710 O ASP B 46 8.476 4.597 5.314 1.00 0.65 O ATOM 1711 CB ASP B 46 5.902 6.377 5.425 1.00 0.76 C ATOM 1712 CG ASP B 46 7.086 7.322 5.310 1.00 0.88 C ATOM 1713 OD1 ASP B 46 7.210 7.898 4.239 1.00 1.04 O ATOM 1714 OD2 ASP B 46 7.806 7.419 6.288 1.00 1.45 O ATOM 0 H ASP B 46 4.217 4.569 4.910 1.00 0.60 H new ATOM 0 HA ASP B 46 6.641 5.388 3.690 1.00 0.65 H new ATOM 0 HB2 ASP B 46 5.004 6.830 5.004 1.00 0.76 H new ATOM 0 HB3 ASP B 46 5.687 6.154 6.470 1.00 0.76 H new ATOM 1719 N GLU B 47 6.811 3.610 6.411 1.00 0.71 N ATOM 1720 CA GLU B 47 7.753 2.859 7.275 1.00 0.81 C ATOM 1721 C GLU B 47 8.718 2.097 6.392 1.00 0.75 C ATOM 1722 O GLU B 47 9.912 2.110 6.611 1.00 0.81 O ATOM 1723 CB GLU B 47 7.003 1.860 8.130 1.00 0.97 C ATOM 1724 CG GLU B 47 5.950 2.576 8.969 1.00 1.17 C ATOM 1725 CD GLU B 47 5.149 1.494 9.684 1.00 1.52 C ATOM 1726 OE1 GLU B 47 5.635 0.375 9.676 1.00 1.97 O ATOM 1727 OE2 GLU B 47 4.099 1.843 10.189 1.00 2.02 O ATOM 0 H GLU B 47 5.820 3.445 6.587 1.00 0.71 H new ATOM 0 HA GLU B 47 8.281 3.562 7.919 1.00 0.81 H new ATOM 0 HB2 GLU B 47 6.527 1.112 7.496 1.00 0.97 H new ATOM 0 HB3 GLU B 47 7.699 1.331 8.780 1.00 0.97 H new ATOM 0 HG2 GLU B 47 6.419 3.248 9.687 1.00 1.17 H new ATOM 0 HG3 GLU B 47 5.302 3.185 8.339 1.00 1.17 H new ATOM 1734 N LEU B 48 8.168 1.446 5.407 1.00 0.72 N ATOM 1735 CA LEU B 48 9.050 0.665 4.504 1.00 0.77 C ATOM 1736 C LEU B 48 10.074 1.602 3.922 1.00 0.68 C ATOM 1737 O LEU B 48 11.241 1.284 3.862 1.00 0.93 O ATOM 1738 CB LEU B 48 8.307 0.062 3.312 1.00 0.85 C ATOM 1739 CG LEU B 48 7.391 -1.121 3.676 1.00 0.87 C ATOM 1740 CD1 LEU B 48 6.325 -0.726 4.708 1.00 1.52 C ATOM 1741 CD2 LEU B 48 6.709 -1.550 2.366 1.00 1.40 C ATOM 0 H LEU B 48 7.171 1.421 5.192 1.00 0.72 H new ATOM 0 HA LEU B 48 9.477 -0.141 5.100 1.00 0.77 H new ATOM 0 HB2 LEU B 48 7.707 0.840 2.840 1.00 0.85 H new ATOM 0 HB3 LEU B 48 9.036 -0.271 2.573 1.00 0.85 H new ATOM 0 HG LEU B 48 7.975 -1.925 4.124 1.00 0.87 H new ATOM 0 HD11 LEU B 48 5.701 -1.590 4.936 1.00 1.52 H new ATOM 0 HD12 LEU B 48 6.812 -0.380 5.620 1.00 1.52 H new ATOM 0 HD13 LEU B 48 5.704 0.073 4.302 1.00 1.52 H new ATOM 0 HD21 LEU B 48 6.043 -2.390 2.561 1.00 1.40 H new ATOM 0 HD22 LEU B 48 6.133 -0.716 1.965 1.00 1.40 H new ATOM 0 HD23 LEU B 48 7.467 -1.848 1.642 1.00 1.40 H new ATOM 1753 N TYR B 49 9.591 2.736 3.511 1.00 0.59 N ATOM 1754 CA TYR B 49 10.496 3.728 2.885 1.00 0.54 C ATOM 1755 C TYR B 49 11.644 4.081 3.819 1.00 0.59 C ATOM 1756 O TYR B 49 12.786 4.049 3.410 1.00 0.82 O ATOM 1757 CB TYR B 49 9.694 4.979 2.551 1.00 0.61 C ATOM 1758 CG TYR B 49 10.478 5.854 1.574 1.00 0.64 C ATOM 1759 CD1 TYR B 49 11.452 6.716 2.023 1.00 1.33 C ATOM 1760 CD2 TYR B 49 10.210 5.794 0.224 1.00 1.29 C ATOM 1761 CE1 TYR B 49 12.145 7.509 1.141 1.00 1.40 C ATOM 1762 CE2 TYR B 49 10.904 6.587 -0.662 1.00 1.32 C ATOM 1763 CZ TYR B 49 11.877 7.450 -0.208 1.00 0.85 C ATOM 1764 OH TYR B 49 12.577 8.250 -1.086 1.00 0.99 O ATOM 0 H TYR B 49 8.613 3.017 3.581 1.00 0.59 H new ATOM 0 HA TYR B 49 10.922 3.301 1.977 1.00 0.54 H new ATOM 0 HB2 TYR B 49 8.735 4.701 2.114 1.00 0.61 H new ATOM 0 HB3 TYR B 49 9.480 5.538 3.462 1.00 0.61 H new ATOM 0 HD1 TYR B 49 11.674 6.770 3.079 1.00 1.33 H new ATOM 0 HD2 TYR B 49 9.450 5.120 -0.142 1.00 1.29 H new ATOM 0 HE1 TYR B 49 12.905 8.183 1.508 1.00 1.40 H new ATOM 0 HE2 TYR B 49 10.685 6.532 -1.718 1.00 1.32 H new ATOM 0 HH TYR B 49 12.265 8.084 -2.000 1.00 0.99 H new ATOM 1774 N ARG B 50 11.343 4.409 5.044 1.00 0.71 N ATOM 1775 CA ARG B 50 12.447 4.778 5.975 1.00 0.95 C ATOM 1776 C ARG B 50 13.400 3.602 6.067 1.00 1.15 C ATOM 1777 O ARG B 50 14.596 3.728 5.899 1.00 1.19 O ATOM 1778 CB ARG B 50 11.920 5.059 7.390 1.00 1.20 C ATOM 1779 CG ARG B 50 10.747 6.065 7.437 1.00 1.44 C ATOM 1780 CD ARG B 50 11.197 7.531 7.227 1.00 1.54 C ATOM 1781 NE ARG B 50 11.835 7.706 5.895 1.00 1.70 N ATOM 1782 CZ ARG B 50 11.105 8.229 4.938 1.00 1.79 C ATOM 1783 NH1 ARG B 50 9.923 7.701 4.721 1.00 2.21 N ATOM 1784 NH2 ARG B 50 11.580 9.245 4.247 1.00 2.29 N ATOM 0 H ARG B 50 10.402 4.438 5.436 1.00 0.71 H new ATOM 0 HA ARG B 50 12.934 5.676 5.593 1.00 0.95 H new ATOM 0 HB2 ARG B 50 11.598 4.120 7.839 1.00 1.20 H new ATOM 0 HB3 ARG B 50 12.737 5.441 8.002 1.00 1.20 H new ATOM 0 HG2 ARG B 50 10.019 5.801 6.670 1.00 1.44 H new ATOM 0 HG3 ARG B 50 10.242 5.980 8.399 1.00 1.44 H new ATOM 0 HD2 ARG B 50 10.337 8.195 7.313 1.00 1.54 H new ATOM 0 HD3 ARG B 50 11.899 7.816 8.011 1.00 1.54 H new ATOM 0 HE ARG B 50 12.803 7.430 5.731 1.00 1.70 H new ATOM 0 HH11 ARG B 50 9.604 6.914 5.287 1.00 2.21 H new ATOM 0 HH12 ARG B 50 9.323 8.077 3.987 1.00 2.21 H new ATOM 0 HH21 ARG B 50 12.506 9.617 4.458 1.00 2.29 H new ATOM 0 HH22 ARG B 50 11.022 9.660 3.501 1.00 2.29 H new ATOM 1798 N SER B 51 12.825 2.473 6.336 1.00 1.40 N ATOM 1799 CA SER B 51 13.646 1.257 6.466 1.00 1.77 C ATOM 1800 C SER B 51 14.409 0.994 5.166 1.00 1.70 C ATOM 1801 O SER B 51 15.460 0.387 5.176 1.00 1.91 O ATOM 1802 CB SER B 51 12.681 0.143 6.814 1.00 2.04 C ATOM 1803 OG SER B 51 11.960 0.720 7.893 1.00 2.11 O ATOM 0 H SER B 51 11.822 2.342 6.471 1.00 1.40 H new ATOM 0 HA SER B 51 14.407 1.347 7.241 1.00 1.77 H new ATOM 0 HB2 SER B 51 12.031 -0.113 5.977 1.00 2.04 H new ATOM 0 HB3 SER B 51 13.198 -0.771 7.108 1.00 2.04 H new ATOM 0 HG SER B 51 11.123 1.104 7.559 1.00 2.11 H new ATOM 1809 N CYS B 52 13.879 1.452 4.070 1.00 1.50 N ATOM 1810 CA CYS B 52 14.596 1.203 2.798 1.00 1.60 C ATOM 1811 C CYS B 52 15.759 2.162 2.736 1.00 1.30 C ATOM 1812 O CYS B 52 16.752 1.872 2.107 1.00 1.42 O ATOM 1813 CB CYS B 52 13.664 1.439 1.610 1.00 1.71 C ATOM 1814 SG CYS B 52 12.296 0.276 1.371 1.00 2.41 S ATOM 0 H CYS B 52 13.005 1.973 4.000 1.00 1.50 H new ATOM 0 HA CYS B 52 14.944 0.171 2.755 1.00 1.60 H new ATOM 0 HB2 CYS B 52 13.241 2.439 1.709 1.00 1.71 H new ATOM 0 HB3 CYS B 52 14.269 1.437 0.703 1.00 1.71 H new ATOM 0 HG CYS B 52 11.531 0.284 2.422 1.00 2.41 H new ATOM 1820 N LEU B 53 15.632 3.287 3.376 1.00 1.00 N ATOM 1821 CA LEU B 53 16.786 4.222 3.336 1.00 0.95 C ATOM 1822 C LEU B 53 17.884 3.535 4.117 1.00 1.09 C ATOM 1823 O LEU B 53 19.044 3.626 3.778 1.00 1.19 O ATOM 1824 CB LEU B 53 16.476 5.551 4.030 1.00 0.98 C ATOM 1825 CG LEU B 53 15.275 6.249 3.367 1.00 1.21 C ATOM 1826 CD1 LEU B 53 14.945 7.527 4.152 1.00 1.56 C ATOM 1827 CD2 LEU B 53 15.636 6.629 1.920 1.00 1.58 C ATOM 0 H LEU B 53 14.815 3.592 3.905 1.00 1.00 H new ATOM 0 HA LEU B 53 17.049 4.446 2.302 1.00 0.95 H new ATOM 0 HB2 LEU B 53 16.263 5.374 5.084 1.00 0.98 H new ATOM 0 HB3 LEU B 53 17.350 6.201 3.986 1.00 0.98 H new ATOM 0 HG LEU B 53 14.416 5.578 3.365 1.00 1.21 H new ATOM 0 HD11 LEU B 53 14.095 8.029 3.690 1.00 1.56 H new ATOM 0 HD12 LEU B 53 14.697 7.268 5.181 1.00 1.56 H new ATOM 0 HD13 LEU B 53 15.808 8.193 4.143 1.00 1.56 H new ATOM 0 HD21 LEU B 53 14.785 7.123 1.451 1.00 1.58 H new ATOM 0 HD22 LEU B 53 16.491 7.305 1.924 1.00 1.58 H new ATOM 0 HD23 LEU B 53 15.887 5.729 1.359 1.00 1.58 H new ATOM 1839 N ALA B 54 17.481 2.852 5.152 1.00 1.32 N ATOM 1840 CA ALA B 54 18.499 2.154 5.991 1.00 1.66 C ATOM 1841 C ALA B 54 19.188 1.000 5.268 1.00 1.77 C ATOM 1842 O ALA B 54 19.954 0.279 5.876 1.00 2.00 O ATOM 1843 CB ALA B 54 17.844 1.593 7.251 1.00 1.85 C ATOM 0 H ALA B 54 16.511 2.747 5.451 1.00 1.32 H new ATOM 0 HA ALA B 54 19.253 2.904 6.232 1.00 1.66 H new ATOM 0 HB1 ALA B 54 18.595 1.086 7.856 1.00 1.85 H new ATOM 0 HB2 ALA B 54 17.404 2.408 7.826 1.00 1.85 H new ATOM 0 HB3 ALA B 54 17.064 0.884 6.971 1.00 1.85 H new ATOM 1849 N ARG B 55 18.912 0.830 4.008 1.00 1.75 N ATOM 1850 CA ARG B 55 19.567 -0.270 3.243 1.00 1.93 C ATOM 1851 C ARG B 55 20.146 0.356 1.989 1.00 1.58 C ATOM 1852 O ARG B 55 21.316 0.256 1.685 1.00 1.71 O ATOM 1853 CB ARG B 55 18.548 -1.336 2.817 1.00 2.36 C ATOM 1854 CG ARG B 55 17.993 -2.114 4.016 1.00 2.73 C ATOM 1855 CD ARG B 55 19.105 -2.997 4.634 1.00 3.04 C ATOM 1856 NE ARG B 55 18.516 -3.835 5.725 1.00 2.92 N ATOM 1857 CZ ARG B 55 18.587 -5.156 5.714 1.00 3.13 C ATOM 1858 NH1 ARG B 55 19.112 -5.797 4.691 1.00 3.65 N ATOM 1859 NH2 ARG B 55 18.120 -5.802 6.756 1.00 3.41 N ATOM 0 H ARG B 55 18.261 1.404 3.472 1.00 1.75 H new ATOM 0 HA ARG B 55 20.324 -0.749 3.864 1.00 1.93 H new ATOM 0 HB2 ARG B 55 17.726 -0.859 2.283 1.00 2.36 H new ATOM 0 HB3 ARG B 55 19.019 -2.030 2.121 1.00 2.36 H new ATOM 0 HG2 ARG B 55 17.610 -1.420 4.764 1.00 2.73 H new ATOM 0 HG3 ARG B 55 17.156 -2.737 3.700 1.00 2.73 H new ATOM 0 HD2 ARG B 55 19.548 -3.634 3.868 1.00 3.04 H new ATOM 0 HD3 ARG B 55 19.905 -2.372 5.031 1.00 3.04 H new ATOM 0 HE ARG B 55 18.044 -3.373 6.502 1.00 2.92 H new ATOM 0 HH11 ARG B 55 19.471 -5.275 3.892 1.00 3.65 H new ATOM 0 HH12 ARG B 55 19.160 -6.816 4.698 1.00 3.65 H new ATOM 0 HH21 ARG B 55 17.719 -5.285 7.539 1.00 3.41 H new ATOM 0 HH22 ARG B 55 18.158 -6.821 6.783 1.00 3.41 H new ATOM 1873 N PHE B 56 19.260 0.998 1.294 1.00 1.42 N ATOM 1874 CA PHE B 56 19.624 1.667 0.026 1.00 1.63 C ATOM 1875 C PHE B 56 20.313 2.990 0.299 1.00 2.45 C ATOM 1876 O PHE B 56 20.606 3.722 -0.625 1.00 3.11 O ATOM 1877 CB PHE B 56 18.364 1.917 -0.772 1.00 1.48 C ATOM 1878 CG PHE B 56 17.521 0.628 -0.861 1.00 1.19 C ATOM 1879 CD1 PHE B 56 18.092 -0.634 -0.787 1.00 1.30 C ATOM 1880 CD2 PHE B 56 16.151 0.729 -1.016 1.00 1.63 C ATOM 1881 CE1 PHE B 56 17.307 -1.763 -0.866 1.00 1.24 C ATOM 1882 CE2 PHE B 56 15.367 -0.403 -1.097 1.00 1.51 C ATOM 1883 CZ PHE B 56 15.944 -1.653 -1.021 1.00 0.99 C ATOM 0 H PHE B 56 18.279 1.089 1.557 1.00 1.42 H new ATOM 0 HA PHE B 56 20.308 1.027 -0.531 1.00 1.63 H new ATOM 0 HB2 PHE B 56 17.780 2.710 -0.304 1.00 1.48 H new ATOM 0 HB3 PHE B 56 18.622 2.261 -1.774 1.00 1.48 H new ATOM 0 HD1 PHE B 56 19.161 -0.732 -0.666 1.00 1.30 H new ATOM 0 HD2 PHE B 56 15.690 1.704 -1.074 1.00 1.63 H new ATOM 0 HE1 PHE B 56 17.764 -2.740 -0.806 1.00 1.24 H new ATOM 0 HE2 PHE B 56 14.298 -0.310 -1.220 1.00 1.51 H new ATOM 0 HZ PHE B 56 15.330 -2.540 -1.083 1.00 0.99 H new ATOM 1893 N GLY B 57 20.552 3.281 1.543 1.00 2.70 N ATOM 1894 CA GLY B 57 21.225 4.559 1.867 1.00 3.77 C ATOM 1895 C GLY B 57 22.468 4.193 2.643 1.00 4.43 C ATOM 1896 O GLY B 57 22.579 3.084 3.129 1.00 4.85 O ATOM 0 H GLY B 57 20.312 2.694 2.342 1.00 2.70 H new ATOM 0 HA2 GLY B 57 21.479 5.107 0.959 1.00 3.77 H new ATOM 0 HA3 GLY B 57 20.573 5.204 2.456 1.00 3.77 H new ATOM 1900 N ASP B 58 23.368 5.131 2.730 1.00 4.82 N ATOM 1901 CA ASP B 58 24.622 4.875 3.482 1.00 5.78 C ATOM 1902 C ASP B 58 24.207 4.959 4.930 1.00 6.31 C ATOM 1903 O ASP B 58 24.732 4.267 5.780 1.00 6.58 O ATOM 1904 CB ASP B 58 25.666 5.954 3.201 1.00 6.24 C ATOM 1905 CG ASP B 58 25.123 7.309 3.653 1.00 6.76 C ATOM 1906 OD1 ASP B 58 24.171 7.748 3.025 1.00 6.88 O ATOM 1907 OD2 ASP B 58 25.687 7.829 4.597 1.00 7.19 O ATOM 0 H ASP B 58 23.289 6.059 2.314 1.00 4.82 H new ATOM 0 HA ASP B 58 25.068 3.919 3.207 1.00 5.78 H new ATOM 0 HB2 ASP B 58 26.593 5.726 3.728 1.00 6.24 H new ATOM 0 HB3 ASP B 58 25.902 5.980 2.137 1.00 6.24 H new ATOM 1912 N ASP B 59 23.264 5.826 5.162 1.00 6.74 N ATOM 1913 CA ASP B 59 22.755 5.985 6.547 1.00 7.58 C ATOM 1914 C ASP B 59 22.083 4.691 6.934 1.00 8.01 C ATOM 1915 O ASP B 59 21.522 4.013 6.095 1.00 8.18 O ATOM 1916 CB ASP B 59 21.709 7.080 6.649 1.00 8.09 C ATOM 1917 CG ASP B 59 21.071 6.933 8.024 1.00 8.40 C ATOM 1918 OD1 ASP B 59 21.763 7.205 8.989 1.00 8.56 O ATOM 1919 OD2 ASP B 59 19.917 6.548 8.053 1.00 8.62 O ATOM 0 H ASP B 59 22.829 6.425 4.460 1.00 6.74 H new ATOM 0 HA ASP B 59 23.594 6.243 7.193 1.00 7.58 H new ATOM 0 HB2 ASP B 59 22.163 8.064 6.534 1.00 8.09 H new ATOM 0 HB3 ASP B 59 20.963 6.980 5.861 1.00 8.09 H new ATOM 1924 N GLY B 60 22.144 4.373 8.190 1.00 8.32 N ATOM 1925 CA GLY B 60 21.502 3.120 8.639 1.00 8.93 C ATOM 1926 C GLY B 60 21.058 3.344 10.070 1.00 9.28 C ATOM 1927 O GLY B 60 20.832 2.401 10.802 1.00 9.74 O ATOM 0 H GLY B 60 22.605 4.920 8.917 1.00 8.32 H new ATOM 0 HA2 GLY B 60 20.651 2.873 8.004 1.00 8.93 H new ATOM 0 HA3 GLY B 60 22.199 2.285 8.577 1.00 8.93 H new ATOM 1931 N GLU B 61 20.943 4.592 10.430 1.00 9.25 N ATOM 1932 CA GLU B 61 20.523 4.918 11.817 1.00 9.85 C ATOM 1933 C GLU B 61 19.327 5.848 11.740 1.00 10.44 C ATOM 1934 O GLU B 61 18.400 5.743 12.516 1.00 10.96 O ATOM 1935 CB GLU B 61 21.656 5.626 12.546 1.00 9.95 C ATOM 1936 CG GLU B 61 22.920 4.781 12.470 1.00 9.52 C ATOM 1937 CD GLU B 61 23.984 5.536 13.253 1.00 9.36 C ATOM 1938 OE1 GLU B 61 23.915 5.451 14.468 1.00 9.14 O ATOM 1939 OE2 GLU B 61 24.798 6.155 12.592 1.00 9.60 O ATOM 0 H GLU B 61 21.121 5.395 9.826 1.00 9.25 H new ATOM 0 HA GLU B 61 20.269 4.005 12.355 1.00 9.85 H new ATOM 0 HB2 GLU B 61 21.833 6.605 12.100 1.00 9.95 H new ATOM 0 HB3 GLU B 61 21.382 5.795 13.587 1.00 9.95 H new ATOM 0 HG2 GLU B 61 22.753 3.791 12.895 1.00 9.52 H new ATOM 0 HG3 GLU B 61 23.229 4.635 11.435 1.00 9.52 H new ATOM 1946 N ASN B 62 19.419 6.724 10.782 1.00 10.52 N ATOM 1947 CA ASN B 62 18.384 7.759 10.516 1.00 11.24 C ATOM 1948 C ASN B 62 18.469 8.709 11.681 1.00 11.48 C ATOM 1949 O ASN B 62 17.925 8.473 12.743 1.00 11.62 O ATOM 1950 CB ASN B 62 16.964 7.184 10.471 1.00 11.72 C ATOM 1951 CG ASN B 62 16.004 8.272 9.946 1.00 12.30 C ATOM 1952 OD1 ASN B 62 16.232 9.547 10.144 1.00 12.60 O flip ATOM 1953 ND2 ASN B 62 15.003 7.958 9.325 1.00 12.60 N flip ATOM 0 H ASN B 62 20.211 6.765 10.141 1.00 10.52 H new ATOM 0 HA ASN B 62 18.567 8.221 9.546 1.00 11.24 H new ATOM 0 HB2 ASN B 62 16.932 6.308 9.823 1.00 11.72 H new ATOM 0 HB3 ASN B 62 16.657 6.857 11.465 1.00 11.72 H new ATOM 0 HD21 ASN B 62 14.797 6.974 9.154 1.00 12.60 H new ATOM 0 HD22 ASN B 62 14.372 8.679 8.977 1.00 12.60 H new ATOM 1960 N LEU B 63 19.167 9.771 11.419 1.00 11.67 N ATOM 1961 CA LEU B 63 19.368 10.824 12.437 1.00 12.09 C ATOM 1962 C LEU B 63 18.614 11.970 11.803 1.00 12.33 C ATOM 1963 O LEU B 63 18.441 12.980 12.458 1.00 12.50 O ATOM 1964 CB LEU B 63 20.870 11.111 12.552 1.00 12.49 C ATOM 1965 CG LEU B 63 21.201 12.106 13.687 1.00 12.64 C ATOM 1966 CD1 LEU B 63 20.731 11.559 15.047 1.00 12.78 C ATOM 1967 CD2 LEU B 63 22.728 12.297 13.731 1.00 12.96 C ATOM 1968 OXT LEU B 63 18.259 11.726 10.661 1.00 12.46 O ATOM 0 H LEU B 63 19.616 9.955 10.522 1.00 11.67 H new ATOM 0 HA LEU B 63 19.031 10.596 13.448 1.00 12.09 H new ATOM 0 HB2 LEU B 63 21.402 10.176 12.727 1.00 12.49 H new ATOM 0 HB3 LEU B 63 21.233 11.512 11.606 1.00 12.49 H new ATOM 0 HG LEU B 63 20.691 13.050 13.495 1.00 12.64 H new ATOM 0 HD11 LEU B 63 20.974 12.276 15.831 1.00 12.78 H new ATOM 0 HD12 LEU B 63 19.653 11.400 15.022 1.00 12.78 H new ATOM 0 HD13 LEU B 63 21.233 10.613 15.252 1.00 12.78 H new ATOM 0 HD21 LEU B 63 22.984 12.997 14.526 1.00 12.96 H new ATOM 0 HD22 LEU B 63 23.209 11.338 13.922 1.00 12.96 H new ATOM 0 HD23 LEU B 63 23.073 12.692 12.775 1.00 12.96 H new TER 1980 LEU B 63