USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 962 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot -40:sc= -0.677 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -0.461 K(o=-1.1,f=-1.9) USER MOD Set 2.1: A 30 THR OG1 : rot 125:sc= 0.867 USER MOD Set 2.2: A 109 GLN : amide:sc= -0.0521 K(o=0.81,f=-2!) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -1.92 X(o=-3.1,f=-3) USER MOD Set 3.2: A 13 MET CE :methyl -154:sc= -1.19 (180deg=-2.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 14:sc= 0.146 USER MOD Single : A 12 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 92:sc= 0.0336 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.77) USER MOD Single : A 49 SER OG : rot 130:sc= -0.801 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -11:sc= 0.99 USER MOD Single : A 63 THR OG1 : rot -160:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= -2.66! (180deg=-5.72!) USER MOD Single : A 68 MET CE :methyl -135:sc= -1.87! (180deg=-2.62!) USER MOD Single : A 69 CYS SG : rot 44:sc= 1.08 USER MOD Single : A 74 TYR OH : rot -43:sc= 0.0958 USER MOD Single : A 75 THR OG1 : rot 144:sc= 0.899 USER MOD Single : A 81 THR OG1 : rot -150:sc= 0 USER MOD Single : A 84 SER OG : rot -82:sc= 0.165 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.552 F(o=-1.5,f=-0.55) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -92:sc= 0.716 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 73:sc= 0.285 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.0798 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -80:sc= 0.393 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0779 X(o=-0.078,f=-0.15) USER MOD Single : B 4 GLN : amide:sc= -0.0467 X(o=-0.047,f=-0.52) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN :FLIP amide:sc= -2.18! C(o=-4!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.696 0.562 -27.014 1.00 0.00 N ATOM 2 CA GLY A 1 13.551 -0.322 -26.895 1.00 0.00 C ATOM 3 C GLY A 1 13.595 -1.158 -25.631 1.00 0.00 C ATOM 4 O GLY A 1 14.450 -2.031 -25.486 1.00 0.00 O ATOM 0 H1 GLY A 1 14.620 1.112 -27.893 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.720 1.210 -26.201 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.570 -0.002 -27.033 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.636 0.270 -26.904 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.513 -0.981 -27.762 1.00 0.00 H new ATOM 8 N SER A 2 12.669 -0.892 -24.715 1.00 0.00 N ATOM 9 CA SER A 2 12.609 -1.623 -23.455 1.00 0.00 C ATOM 10 C SER A 2 12.210 -3.077 -23.689 1.00 0.00 C ATOM 11 O SER A 2 11.777 -3.445 -24.781 1.00 0.00 O ATOM 12 CB SER A 2 11.614 -0.958 -22.503 1.00 0.00 C ATOM 13 OG SER A 2 11.969 0.392 -22.255 1.00 0.00 O ATOM 0 H SER A 2 11.950 -0.176 -24.822 1.00 0.00 H new ATOM 0 HA SER A 2 13.602 -1.604 -23.005 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.612 -1.001 -22.931 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.583 -1.508 -21.562 1.00 0.00 H new ATOM 0 HG SER A 2 11.316 0.795 -21.645 1.00 0.00 H new ATOM 19 N SER A 3 12.362 -3.899 -22.657 1.00 0.00 N ATOM 20 CA SER A 3 12.023 -5.315 -22.750 1.00 0.00 C ATOM 21 C SER A 3 11.494 -5.835 -21.417 1.00 0.00 C ATOM 22 O SER A 3 12.067 -5.568 -20.361 1.00 0.00 O ATOM 23 CB SER A 3 13.247 -6.127 -23.179 1.00 0.00 C ATOM 24 OG SER A 3 14.251 -6.103 -22.178 1.00 0.00 O ATOM 0 H SER A 3 12.718 -3.610 -21.746 1.00 0.00 H new ATOM 0 HA SER A 3 11.240 -5.428 -23.500 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.952 -7.157 -23.378 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.647 -5.724 -24.109 1.00 0.00 H new ATOM 0 HG SER A 3 15.022 -6.630 -22.475 1.00 0.00 H new ATOM 30 N GLY A 4 10.395 -6.581 -21.475 1.00 0.00 N ATOM 31 CA GLY A 4 9.805 -7.128 -20.266 1.00 0.00 C ATOM 32 C GLY A 4 8.746 -6.219 -19.675 1.00 0.00 C ATOM 33 O GLY A 4 8.299 -5.273 -20.323 1.00 0.00 O ATOM 0 H GLY A 4 9.903 -6.816 -22.337 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.363 -8.099 -20.489 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.588 -7.296 -19.527 1.00 0.00 H new ATOM 37 N SER A 5 8.342 -6.506 -18.442 1.00 0.00 N ATOM 38 CA SER A 5 7.325 -5.711 -17.765 1.00 0.00 C ATOM 39 C SER A 5 7.277 -6.044 -16.278 1.00 0.00 C ATOM 40 O SER A 5 7.298 -7.211 -15.890 1.00 0.00 O ATOM 41 CB SER A 5 5.953 -5.954 -18.398 1.00 0.00 C ATOM 42 OG SER A 5 5.654 -7.337 -18.453 1.00 0.00 O ATOM 0 H SER A 5 8.704 -7.284 -17.891 1.00 0.00 H new ATOM 0 HA SER A 5 7.588 -4.659 -17.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.186 -5.436 -17.822 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.934 -5.534 -19.404 1.00 0.00 H new ATOM 0 HG SER A 5 4.772 -7.465 -18.860 1.00 0.00 H new ATOM 48 N SER A 6 7.210 -5.007 -15.448 1.00 0.00 N ATOM 49 CA SER A 6 7.163 -5.187 -14.002 1.00 0.00 C ATOM 50 C SER A 6 5.848 -4.661 -13.432 1.00 0.00 C ATOM 51 O SER A 6 5.367 -3.600 -13.829 1.00 0.00 O ATOM 52 CB SER A 6 8.342 -4.473 -13.338 1.00 0.00 C ATOM 53 OG SER A 6 8.377 -3.103 -13.699 1.00 0.00 O ATOM 0 H SER A 6 7.187 -4.034 -15.753 1.00 0.00 H new ATOM 0 HA SER A 6 7.230 -6.254 -13.791 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.264 -4.565 -12.255 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.275 -4.954 -13.632 1.00 0.00 H new ATOM 0 HG SER A 6 9.138 -2.669 -13.261 1.00 0.00 H new ATOM 59 N GLY A 7 5.273 -5.410 -12.497 1.00 0.00 N ATOM 60 CA GLY A 7 4.021 -5.005 -11.886 1.00 0.00 C ATOM 61 C GLY A 7 4.218 -3.990 -10.777 1.00 0.00 C ATOM 62 O GLY A 7 4.965 -3.024 -10.935 1.00 0.00 O ATOM 0 H GLY A 7 5.652 -6.291 -12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.368 -4.582 -12.649 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.515 -5.883 -11.485 1.00 0.00 H new ATOM 66 N TRP A 8 3.547 -4.208 -9.652 1.00 0.00 N ATOM 67 CA TRP A 8 3.651 -3.304 -8.513 1.00 0.00 C ATOM 68 C TRP A 8 4.254 -4.015 -7.306 1.00 0.00 C ATOM 69 O TRP A 8 4.120 -3.556 -6.172 1.00 0.00 O ATOM 70 CB TRP A 8 2.274 -2.742 -8.153 1.00 0.00 C ATOM 71 CG TRP A 8 1.146 -3.660 -8.515 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.111 -3.391 -9.364 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.938 -4.992 -8.035 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.727 -4.477 -9.442 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.242 -5.473 -8.637 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.634 -5.828 -7.157 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.739 -6.749 -8.386 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.140 -7.094 -6.910 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.037 -7.546 -7.523 1.00 0.00 C ATOM 0 H TRP A 8 2.925 -5.003 -9.504 1.00 0.00 H new ATOM 0 HA TRP A 8 4.309 -2.482 -8.794 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.240 -2.541 -7.082 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.134 -1.788 -8.661 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.028 -2.461 -9.896 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.574 -4.532 -10.008 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.542 -5.490 -6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.647 -7.098 -8.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.670 -7.747 -6.233 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.396 -8.542 -7.310 1.00 0.00 H new ATOM 90 N TYR A 9 4.919 -5.137 -7.559 1.00 0.00 N ATOM 91 CA TYR A 9 5.540 -5.913 -6.492 1.00 0.00 C ATOM 92 C TYR A 9 6.992 -5.488 -6.284 1.00 0.00 C ATOM 93 O TYR A 9 7.795 -5.505 -7.217 1.00 0.00 O ATOM 94 CB TYR A 9 5.476 -7.407 -6.815 1.00 0.00 C ATOM 95 CG TYR A 9 5.510 -8.293 -5.590 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.484 -8.255 -4.654 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.567 -9.167 -5.370 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.511 -9.063 -3.533 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.601 -9.979 -4.253 1.00 0.00 C ATOM 100 CZ TYR A 9 5.571 -9.923 -3.337 1.00 0.00 C ATOM 101 OH TYR A 9 5.601 -10.729 -2.223 1.00 0.00 O ATOM 0 H TYR A 9 5.042 -5.529 -8.493 1.00 0.00 H new ATOM 0 HA TYR A 9 4.989 -5.723 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.563 -7.610 -7.375 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.313 -7.666 -7.464 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.652 -7.583 -4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.376 -9.212 -6.084 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.706 -9.021 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.430 -10.654 -4.098 1.00 0.00 H new ATOM 0 HH TYR A 9 4.717 -10.736 -1.801 1.00 0.00 H new ATOM 111 N HIS A 10 7.320 -5.108 -5.053 1.00 0.00 N ATOM 112 CA HIS A 10 8.673 -4.680 -4.721 1.00 0.00 C ATOM 113 C HIS A 10 9.425 -5.782 -3.979 1.00 0.00 C ATOM 114 O HIS A 10 10.497 -6.210 -4.405 1.00 0.00 O ATOM 115 CB HIS A 10 8.635 -3.410 -3.870 1.00 0.00 C ATOM 116 CG HIS A 10 8.154 -2.204 -4.615 1.00 0.00 C ATOM 117 ND1 HIS A 10 8.997 -1.207 -5.060 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.907 -1.837 -4.995 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.290 -0.280 -5.679 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.019 -0.639 -5.654 1.00 0.00 N ATOM 0 H HIS A 10 6.667 -5.088 -4.270 1.00 0.00 H new ATOM 0 HA HIS A 10 9.199 -4.469 -5.652 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.987 -3.578 -3.010 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.634 -3.213 -3.482 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.994 -2.385 -4.813 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.684 0.619 -6.129 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.246 -0.111 -6.059 1.00 0.00 H new ATOM 129 N GLY A 11 8.854 -6.234 -2.866 1.00 0.00 N ATOM 130 CA GLY A 11 9.486 -7.281 -2.083 1.00 0.00 C ATOM 131 C GLY A 11 10.104 -6.754 -0.803 1.00 0.00 C ATOM 132 O GLY A 11 9.449 -6.053 -0.031 1.00 0.00 O ATOM 0 H GLY A 11 7.967 -5.895 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.747 -8.044 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.257 -7.764 -2.683 1.00 0.00 H new ATOM 136 N HIS A 12 11.370 -7.093 -0.577 1.00 0.00 N ATOM 137 CA HIS A 12 12.077 -6.650 0.620 1.00 0.00 C ATOM 138 C HIS A 12 11.937 -5.142 0.807 1.00 0.00 C ATOM 139 O HIS A 12 12.621 -4.359 0.150 1.00 0.00 O ATOM 140 CB HIS A 12 13.555 -7.030 0.534 1.00 0.00 C ATOM 141 CG HIS A 12 14.342 -6.651 1.751 1.00 0.00 C ATOM 142 ND1 HIS A 12 15.704 -6.435 1.728 1.00 0.00 N ATOM 143 CD2 HIS A 12 13.952 -6.450 3.031 1.00 0.00 C ATOM 144 CE1 HIS A 12 16.117 -6.119 2.943 1.00 0.00 C ATOM 145 NE2 HIS A 12 15.073 -6.120 3.752 1.00 0.00 N ATOM 0 H HIS A 12 11.926 -7.672 -1.206 1.00 0.00 H new ATOM 0 HA HIS A 12 11.631 -7.148 1.481 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.637 -8.106 0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 12 13.996 -6.548 -0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 12 12.946 -6.534 3.414 1.00 0.00 H new ATOM 0 HE1 HIS A 12 17.135 -5.898 3.226 1.00 0.00 H new ATOM 0 HE2 HIS A 12 15.096 -5.910 4.750 1.00 0.00 H new ATOM 154 N MET A 13 11.044 -4.743 1.707 1.00 0.00 N ATOM 155 CA MET A 13 10.816 -3.329 1.980 1.00 0.00 C ATOM 156 C MET A 13 10.063 -3.144 3.295 1.00 0.00 C ATOM 157 O MET A 13 9.142 -3.899 3.605 1.00 0.00 O ATOM 158 CB MET A 13 10.031 -2.686 0.835 1.00 0.00 C ATOM 159 CG MET A 13 9.752 -1.207 1.043 1.00 0.00 C ATOM 160 SD MET A 13 8.375 -0.611 0.043 1.00 0.00 S ATOM 161 CE MET A 13 9.194 -0.327 -1.524 1.00 0.00 C ATOM 0 H MET A 13 10.467 -5.378 2.259 1.00 0.00 H new ATOM 0 HA MET A 13 11.786 -2.840 2.065 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.588 -2.815 -0.093 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.084 -3.212 0.715 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.536 -1.027 2.096 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.647 -0.635 0.799 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.654 0.436 -2.084 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.215 0.009 -1.345 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.212 -1.253 -2.098 1.00 0.00 H new ATOM 171 N SER A 14 10.461 -2.135 4.063 1.00 0.00 N ATOM 172 CA SER A 14 9.827 -1.853 5.345 1.00 0.00 C ATOM 173 C SER A 14 8.904 -0.643 5.241 1.00 0.00 C ATOM 174 O SER A 14 8.873 0.042 4.219 1.00 0.00 O ATOM 175 CB SER A 14 10.887 -1.610 6.420 1.00 0.00 C ATOM 176 OG SER A 14 11.681 -0.478 6.106 1.00 0.00 O ATOM 0 H SER A 14 11.220 -1.499 3.819 1.00 0.00 H new ATOM 0 HA SER A 14 9.229 -2.720 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.403 -1.462 7.386 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.523 -2.490 6.513 1.00 0.00 H new ATOM 0 HG SER A 14 12.350 -0.343 6.809 1.00 0.00 H new ATOM 182 N GLY A 15 8.153 -0.385 6.307 1.00 0.00 N ATOM 183 CA GLY A 15 7.240 0.742 6.316 1.00 0.00 C ATOM 184 C GLY A 15 7.941 2.060 6.052 1.00 0.00 C ATOM 185 O GLY A 15 7.646 2.742 5.071 1.00 0.00 O ATOM 0 H GLY A 15 8.161 -0.937 7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.469 0.587 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.736 0.789 7.281 1.00 0.00 H new ATOM 189 N GLY A 16 8.873 2.419 6.931 1.00 0.00 N ATOM 190 CA GLY A 16 9.603 3.663 6.770 1.00 0.00 C ATOM 191 C GLY A 16 10.057 3.889 5.342 1.00 0.00 C ATOM 192 O GLY A 16 9.941 4.994 4.815 1.00 0.00 O ATOM 0 H GLY A 16 9.135 1.871 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.971 4.494 7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.472 3.658 7.428 1.00 0.00 H new ATOM 196 N GLN A 17 10.578 2.839 4.715 1.00 0.00 N ATOM 197 CA GLN A 17 11.055 2.929 3.340 1.00 0.00 C ATOM 198 C GLN A 17 9.907 3.241 2.385 1.00 0.00 C ATOM 199 O GLN A 17 9.883 4.297 1.753 1.00 0.00 O ATOM 200 CB GLN A 17 11.736 1.623 2.927 1.00 0.00 C ATOM 201 CG GLN A 17 12.820 1.808 1.878 1.00 0.00 C ATOM 202 CD GLN A 17 14.183 2.070 2.487 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.482 1.610 3.589 1.00 0.00 O ATOM 204 NE2 GLN A 17 15.019 2.813 1.771 1.00 0.00 N ATOM 0 H GLN A 17 10.680 1.916 5.137 1.00 0.00 H new ATOM 0 HA GLN A 17 11.780 3.741 3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.172 1.155 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.983 0.936 2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.871 0.917 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.552 2.640 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.730 3.174 0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.950 3.023 2.130 1.00 0.00 H new ATOM 213 N ALA A 18 8.957 2.316 2.288 1.00 0.00 N ATOM 214 CA ALA A 18 7.805 2.495 1.413 1.00 0.00 C ATOM 215 C ALA A 18 7.335 3.945 1.410 1.00 0.00 C ATOM 216 O ALA A 18 7.038 4.509 0.358 1.00 0.00 O ATOM 217 CB ALA A 18 6.672 1.572 1.836 1.00 0.00 C ATOM 0 H ALA A 18 8.963 1.436 2.804 1.00 0.00 H new ATOM 0 HA ALA A 18 8.109 2.238 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.818 1.717 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.006 0.536 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.379 1.801 2.861 1.00 0.00 H new ATOM 223 N GLU A 19 7.272 4.543 2.597 1.00 0.00 N ATOM 224 CA GLU A 19 6.836 5.928 2.729 1.00 0.00 C ATOM 225 C GLU A 19 7.704 6.856 1.885 1.00 0.00 C ATOM 226 O GLU A 19 7.197 7.724 1.174 1.00 0.00 O ATOM 227 CB GLU A 19 6.885 6.362 4.196 1.00 0.00 C ATOM 228 CG GLU A 19 5.582 6.129 4.944 1.00 0.00 C ATOM 229 CD GLU A 19 5.550 6.826 6.291 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.475 6.596 7.098 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.602 7.598 6.537 1.00 0.00 O ATOM 0 H GLU A 19 7.517 4.091 3.478 1.00 0.00 H new ATOM 0 HA GLU A 19 5.809 5.994 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.685 5.820 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.138 7.421 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.750 6.483 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.437 5.058 5.089 1.00 0.00 H new ATOM 238 N THR A 20 9.018 6.665 1.966 1.00 0.00 N ATOM 239 CA THR A 20 9.958 7.483 1.211 1.00 0.00 C ATOM 240 C THR A 20 9.774 7.289 -0.289 1.00 0.00 C ATOM 241 O THR A 20 9.571 8.251 -1.031 1.00 0.00 O ATOM 242 CB THR A 20 11.415 7.156 1.586 1.00 0.00 C ATOM 243 OG1 THR A 20 11.609 7.328 2.995 1.00 0.00 O ATOM 244 CG2 THR A 20 12.384 8.048 0.824 1.00 0.00 C ATOM 0 H THR A 20 9.455 5.950 2.548 1.00 0.00 H new ATOM 0 HA THR A 20 9.750 8.522 1.468 1.00 0.00 H new ATOM 0 HB THR A 20 11.612 6.118 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.538 7.116 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.407 7.798 1.106 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.255 7.894 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.185 9.092 1.067 1.00 0.00 H new ATOM 252 N LEU A 21 9.848 6.039 -0.732 1.00 0.00 N ATOM 253 CA LEU A 21 9.690 5.717 -2.146 1.00 0.00 C ATOM 254 C LEU A 21 8.390 6.297 -2.694 1.00 0.00 C ATOM 255 O LEU A 21 8.336 6.756 -3.836 1.00 0.00 O ATOM 256 CB LEU A 21 9.711 4.200 -2.349 1.00 0.00 C ATOM 257 CG LEU A 21 10.991 3.483 -1.920 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.907 3.069 -0.459 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.246 2.272 -2.805 1.00 0.00 C ATOM 0 H LEU A 21 10.016 5.231 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 21 10.523 6.162 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.875 3.768 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.539 3.993 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 21 11.827 4.174 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.827 2.560 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.772 3.954 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.061 2.396 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.161 1.774 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.408 1.579 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.351 2.594 -3.841 1.00 0.00 H new ATOM 271 N LEU A 22 7.346 6.275 -1.874 1.00 0.00 N ATOM 272 CA LEU A 22 6.046 6.801 -2.275 1.00 0.00 C ATOM 273 C LEU A 22 6.037 8.325 -2.226 1.00 0.00 C ATOM 274 O LEU A 22 5.930 8.988 -3.256 1.00 0.00 O ATOM 275 CB LEU A 22 4.946 6.243 -1.369 1.00 0.00 C ATOM 276 CG LEU A 22 4.486 4.817 -1.673 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.706 4.247 -0.498 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.644 4.788 -2.940 1.00 0.00 C ATOM 0 H LEU A 22 7.374 5.898 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 22 5.856 6.488 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.299 6.278 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.081 6.904 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 22 5.368 4.196 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.386 3.231 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.341 4.233 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.831 4.868 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.325 3.765 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.767 5.422 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.236 5.155 -3.779 1.00 0.00 H new ATOM 290 N GLN A 23 6.152 8.874 -1.020 1.00 0.00 N ATOM 291 CA GLN A 23 6.159 10.321 -0.838 1.00 0.00 C ATOM 292 C GLN A 23 7.054 10.995 -1.871 1.00 0.00 C ATOM 293 O GLN A 23 6.668 11.988 -2.487 1.00 0.00 O ATOM 294 CB GLN A 23 6.631 10.676 0.573 1.00 0.00 C ATOM 295 CG GLN A 23 5.576 10.447 1.644 1.00 0.00 C ATOM 296 CD GLN A 23 6.096 10.715 3.043 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.304 10.732 3.276 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.182 10.928 3.983 1.00 0.00 N ATOM 0 H GLN A 23 6.241 8.339 -0.156 1.00 0.00 H new ATOM 0 HA GLN A 23 5.140 10.684 -0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.514 10.083 0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.935 11.722 0.593 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.720 11.093 1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.220 9.419 1.584 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.190 10.905 3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.472 11.115 4.943 1.00 0.00 H new ATOM 307 N ALA A 24 8.252 10.450 -2.055 1.00 0.00 N ATOM 308 CA ALA A 24 9.202 11.000 -3.015 1.00 0.00 C ATOM 309 C ALA A 24 8.567 11.144 -4.394 1.00 0.00 C ATOM 310 O ALA A 24 8.783 12.138 -5.088 1.00 0.00 O ATOM 311 CB ALA A 24 10.442 10.121 -3.093 1.00 0.00 C ATOM 0 H ALA A 24 8.588 9.628 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 24 9.494 11.993 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.143 10.543 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.915 10.072 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.157 9.117 -3.409 1.00 0.00 H new ATOM 317 N LYS A 25 7.782 10.146 -4.786 1.00 0.00 N ATOM 318 CA LYS A 25 7.114 10.162 -6.082 1.00 0.00 C ATOM 319 C LYS A 25 6.211 11.383 -6.215 1.00 0.00 C ATOM 320 O LYS A 25 6.145 12.008 -7.272 1.00 0.00 O ATOM 321 CB LYS A 25 6.293 8.884 -6.271 1.00 0.00 C ATOM 322 CG LYS A 25 5.712 8.735 -7.667 1.00 0.00 C ATOM 323 CD LYS A 25 6.751 8.223 -8.652 1.00 0.00 C ATOM 324 CE LYS A 25 6.481 8.730 -10.060 1.00 0.00 C ATOM 325 NZ LYS A 25 7.536 8.296 -11.017 1.00 0.00 N ATOM 0 H LYS A 25 7.593 9.316 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 25 7.880 10.213 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.924 8.022 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.480 8.874 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.866 8.048 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.330 9.697 -8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.744 8.541 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.750 7.133 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.511 8.364 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.425 9.819 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.316 8.662 -11.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.458 8.666 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.572 7.257 -11.046 1.00 0.00 H new ATOM 339 N GLY A 26 5.515 11.719 -5.132 1.00 0.00 N ATOM 340 CA GLY A 26 4.626 12.866 -5.149 1.00 0.00 C ATOM 341 C GLY A 26 3.394 12.633 -6.002 1.00 0.00 C ATOM 342 O GLY A 26 2.682 13.576 -6.346 1.00 0.00 O ATOM 0 H GLY A 26 5.551 11.218 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.319 13.099 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.166 13.735 -5.526 1.00 0.00 H new ATOM 346 N GLU A 27 3.146 11.374 -6.348 1.00 0.00 N ATOM 347 CA GLU A 27 1.994 11.022 -7.170 1.00 0.00 C ATOM 348 C GLU A 27 0.860 10.472 -6.310 1.00 0.00 C ATOM 349 O GLU A 27 1.012 9.477 -5.601 1.00 0.00 O ATOM 350 CB GLU A 27 2.390 9.992 -8.230 1.00 0.00 C ATOM 351 CG GLU A 27 2.909 10.611 -9.517 1.00 0.00 C ATOM 352 CD GLU A 27 1.793 11.032 -10.453 1.00 0.00 C ATOM 353 OE1 GLU A 27 1.120 12.041 -10.160 1.00 0.00 O ATOM 354 OE2 GLU A 27 1.593 10.349 -11.479 1.00 0.00 O ATOM 0 H GLU A 27 3.726 10.582 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 27 1.645 11.927 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.156 9.335 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.526 9.369 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.523 11.479 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.554 9.895 -10.026 1.00 0.00 H new ATOM 361 N PRO A 28 -0.305 11.134 -6.373 1.00 0.00 N ATOM 362 CA PRO A 28 -1.488 10.730 -5.607 1.00 0.00 C ATOM 363 C PRO A 28 -2.090 9.424 -6.116 1.00 0.00 C ATOM 364 O PRO A 28 -2.067 9.144 -7.314 1.00 0.00 O ATOM 365 CB PRO A 28 -2.464 11.889 -5.824 1.00 0.00 C ATOM 366 CG PRO A 28 -2.050 12.495 -7.120 1.00 0.00 C ATOM 367 CD PRO A 28 -0.557 12.327 -7.198 1.00 0.00 C ATOM 0 HA PRO A 28 -1.251 10.545 -4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.495 11.537 -5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.405 12.613 -5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.543 12.000 -7.957 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.327 13.548 -7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.222 12.183 -8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.033 13.201 -6.811 1.00 0.00 H new ATOM 375 N TRP A 29 -2.629 8.630 -5.198 1.00 0.00 N ATOM 376 CA TRP A 29 -3.237 7.353 -5.555 1.00 0.00 C ATOM 377 C TRP A 29 -2.186 6.370 -6.058 1.00 0.00 C ATOM 378 O TRP A 29 -2.453 5.559 -6.945 1.00 0.00 O ATOM 379 CB TRP A 29 -4.314 7.558 -6.623 1.00 0.00 C ATOM 380 CG TRP A 29 -5.177 8.757 -6.373 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.530 9.716 -7.278 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.794 9.125 -5.134 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.330 10.658 -6.677 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.507 10.318 -5.362 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.815 8.563 -3.855 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.232 10.956 -4.359 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.534 9.197 -2.860 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.235 10.384 -3.117 1.00 0.00 C ATOM 0 H TRP A 29 -2.658 8.847 -4.202 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.697 6.936 -4.659 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.835 7.661 -7.597 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.944 6.669 -6.669 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.225 9.732 -8.314 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.728 11.478 -7.136 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.279 7.649 -3.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.773 11.870 -4.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.557 8.771 -1.868 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.788 10.856 -2.318 1.00 0.00 H new ATOM 399 N THR A 30 -0.988 6.447 -5.486 1.00 0.00 N ATOM 400 CA THR A 30 0.104 5.564 -5.877 1.00 0.00 C ATOM 401 C THR A 30 0.221 4.380 -4.925 1.00 0.00 C ATOM 402 O THR A 30 0.820 4.488 -3.854 1.00 0.00 O ATOM 403 CB THR A 30 1.448 6.315 -5.912 1.00 0.00 C ATOM 404 OG1 THR A 30 1.379 7.399 -6.846 1.00 0.00 O ATOM 405 CG2 THR A 30 2.582 5.378 -6.299 1.00 0.00 C ATOM 0 H THR A 30 -0.750 7.112 -4.750 1.00 0.00 H new ATOM 0 HA THR A 30 -0.127 5.200 -6.878 1.00 0.00 H new ATOM 0 HB THR A 30 1.646 6.707 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.613 8.236 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.521 5.931 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.651 4.570 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.388 4.961 -7.287 1.00 0.00 H new ATOM 413 N PHE A 31 -0.353 3.249 -5.322 1.00 0.00 N ATOM 414 CA PHE A 31 -0.313 2.043 -4.502 1.00 0.00 C ATOM 415 C PHE A 31 0.933 1.217 -4.811 1.00 0.00 C ATOM 416 O PHE A 31 1.491 1.300 -5.906 1.00 0.00 O ATOM 417 CB PHE A 31 -1.568 1.200 -4.736 1.00 0.00 C ATOM 418 CG PHE A 31 -1.586 0.509 -6.070 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.923 1.203 -7.220 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.266 -0.836 -6.172 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.940 0.570 -8.449 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.282 -1.474 -7.398 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.620 -0.770 -8.537 1.00 0.00 C ATOM 0 H PHE A 31 -0.851 3.142 -6.206 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.277 2.346 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.646 0.452 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.446 1.840 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.176 2.251 -7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.001 -1.391 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.203 1.123 -9.339 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.030 -2.522 -7.465 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.634 -1.267 -9.496 1.00 0.00 H new ATOM 433 N LEU A 32 1.365 0.422 -3.838 1.00 0.00 N ATOM 434 CA LEU A 32 2.545 -0.419 -4.004 1.00 0.00 C ATOM 435 C LEU A 32 2.486 -1.628 -3.076 1.00 0.00 C ATOM 436 O LEU A 32 2.179 -1.501 -1.892 1.00 0.00 O ATOM 437 CB LEU A 32 3.814 0.389 -3.728 1.00 0.00 C ATOM 438 CG LEU A 32 4.282 0.428 -2.272 1.00 0.00 C ATOM 439 CD1 LEU A 32 4.933 -0.891 -1.886 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.245 1.585 -2.052 1.00 0.00 C ATOM 0 H LEU A 32 0.916 0.342 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 32 2.566 -0.775 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.620 -0.020 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.649 1.413 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 32 3.411 0.581 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.260 -0.845 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.213 -1.701 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.794 -1.074 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.567 1.597 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.113 1.464 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.745 2.524 -2.288 1.00 0.00 H new ATOM 452 N VAL A 33 2.785 -2.802 -3.624 1.00 0.00 N ATOM 453 CA VAL A 33 2.770 -4.035 -2.845 1.00 0.00 C ATOM 454 C VAL A 33 4.166 -4.383 -2.340 1.00 0.00 C ATOM 455 O VAL A 33 5.164 -4.116 -3.010 1.00 0.00 O ATOM 456 CB VAL A 33 2.226 -5.215 -3.671 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.993 -6.427 -2.784 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.945 -4.816 -4.390 1.00 0.00 C ATOM 0 H VAL A 33 3.040 -2.925 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 33 2.111 -3.863 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 33 2.970 -5.483 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.609 -7.250 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.933 -6.725 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.270 -6.176 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.574 -5.662 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.194 -4.520 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.149 -3.980 -5.059 1.00 0.00 H new ATOM 468 N ARG A 34 4.228 -4.982 -1.155 1.00 0.00 N ATOM 469 CA ARG A 34 5.503 -5.366 -0.560 1.00 0.00 C ATOM 470 C ARG A 34 5.295 -6.386 0.557 1.00 0.00 C ATOM 471 O ARG A 34 4.325 -6.305 1.311 1.00 0.00 O ATOM 472 CB ARG A 34 6.226 -4.135 -0.012 1.00 0.00 C ATOM 473 CG ARG A 34 5.513 -3.480 1.160 1.00 0.00 C ATOM 474 CD ARG A 34 6.495 -2.795 2.097 1.00 0.00 C ATOM 475 NE ARG A 34 5.981 -2.707 3.461 1.00 0.00 N ATOM 476 CZ ARG A 34 5.164 -1.747 3.879 1.00 0.00 C ATOM 477 NH1 ARG A 34 4.771 -0.797 3.042 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.739 -1.736 5.135 1.00 0.00 N ATOM 0 H ARG A 34 3.411 -5.212 -0.589 1.00 0.00 H new ATOM 0 HA ARG A 34 6.116 -5.822 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.230 -4.423 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.338 -3.404 -0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.794 -2.750 0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.948 -4.232 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.437 -3.344 2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.711 -1.793 1.726 1.00 0.00 H new ATOM 0 HE ARG A 34 6.265 -3.423 4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.096 -0.803 2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.143 -0.061 3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.040 -2.465 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.112 -0.998 5.455 1.00 0.00 H new ATOM 492 N GLU A 35 6.212 -7.343 0.656 1.00 0.00 N ATOM 493 CA GLU A 35 6.128 -8.378 1.678 1.00 0.00 C ATOM 494 C GLU A 35 6.692 -7.880 3.005 1.00 0.00 C ATOM 495 O GLU A 35 7.596 -7.044 3.033 1.00 0.00 O ATOM 496 CB GLU A 35 6.882 -9.632 1.230 1.00 0.00 C ATOM 497 CG GLU A 35 8.346 -9.381 0.914 1.00 0.00 C ATOM 498 CD GLU A 35 9.249 -9.606 2.112 1.00 0.00 C ATOM 499 OE1 GLU A 35 9.407 -10.774 2.524 1.00 0.00 O ATOM 500 OE2 GLU A 35 9.797 -8.615 2.638 1.00 0.00 O ATOM 0 H GLU A 35 7.022 -7.423 0.041 1.00 0.00 H new ATOM 0 HA GLU A 35 5.076 -8.626 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.812 -10.387 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.394 -10.043 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.656 -10.038 0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.467 -8.357 0.560 1.00 0.00 H new ATOM 507 N SER A 36 6.151 -8.396 4.104 1.00 0.00 N ATOM 508 CA SER A 36 6.597 -8.001 5.435 1.00 0.00 C ATOM 509 C SER A 36 8.011 -8.505 5.707 1.00 0.00 C ATOM 510 O SER A 36 8.615 -9.178 4.870 1.00 0.00 O ATOM 511 CB SER A 36 5.639 -8.539 6.498 1.00 0.00 C ATOM 512 OG SER A 36 4.355 -7.952 6.372 1.00 0.00 O ATOM 0 H SER A 36 5.403 -9.089 4.099 1.00 0.00 H new ATOM 0 HA SER A 36 6.603 -6.912 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.558 -9.622 6.404 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.040 -8.334 7.491 1.00 0.00 H new ATOM 0 HG SER A 36 3.794 -8.512 5.796 1.00 0.00 H new ATOM 518 N LEU A 37 8.534 -8.175 6.882 1.00 0.00 N ATOM 519 CA LEU A 37 9.878 -8.594 7.267 1.00 0.00 C ATOM 520 C LEU A 37 9.826 -9.648 8.367 1.00 0.00 C ATOM 521 O LEU A 37 10.530 -10.656 8.310 1.00 0.00 O ATOM 522 CB LEU A 37 10.694 -7.390 7.736 1.00 0.00 C ATOM 523 CG LEU A 37 10.742 -6.197 6.781 1.00 0.00 C ATOM 524 CD1 LEU A 37 9.514 -5.319 6.961 1.00 0.00 C ATOM 525 CD2 LEU A 37 12.014 -5.390 6.999 1.00 0.00 C ATOM 0 H LEU A 37 8.048 -7.618 7.585 1.00 0.00 H new ATOM 0 HA LEU A 37 10.359 -9.032 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.288 -7.051 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.716 -7.720 7.924 1.00 0.00 H new ATOM 0 HG LEU A 37 10.746 -6.575 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.566 -4.475 6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.617 -5.902 6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.478 -4.950 7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.031 -4.545 6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.041 -5.023 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.882 -6.023 6.818 1.00 0.00 H new ATOM 537 N SER A 38 8.985 -9.410 9.369 1.00 0.00 N ATOM 538 CA SER A 38 8.840 -10.338 10.484 1.00 0.00 C ATOM 539 C SER A 38 8.129 -11.614 10.041 1.00 0.00 C ATOM 540 O SER A 38 8.711 -12.698 10.060 1.00 0.00 O ATOM 541 CB SER A 38 8.065 -9.679 11.627 1.00 0.00 C ATOM 542 OG SER A 38 7.977 -10.542 12.747 1.00 0.00 O ATOM 0 H SER A 38 8.393 -8.581 9.431 1.00 0.00 H new ATOM 0 HA SER A 38 9.837 -10.602 10.836 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.558 -8.751 11.917 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.063 -9.416 11.287 1.00 0.00 H new ATOM 0 HG SER A 38 7.479 -10.097 13.464 1.00 0.00 H new ATOM 548 N GLN A 39 6.869 -11.473 9.644 1.00 0.00 N ATOM 549 CA GLN A 39 6.078 -12.613 9.198 1.00 0.00 C ATOM 550 C GLN A 39 6.194 -12.800 7.688 1.00 0.00 C ATOM 551 O GLN A 39 5.643 -12.031 6.900 1.00 0.00 O ATOM 552 CB GLN A 39 4.611 -12.428 9.589 1.00 0.00 C ATOM 553 CG GLN A 39 3.813 -13.722 9.592 1.00 0.00 C ATOM 554 CD GLN A 39 4.376 -14.752 10.552 1.00 0.00 C ATOM 555 OE1 GLN A 39 4.929 -14.407 11.597 1.00 0.00 O ATOM 556 NE2 GLN A 39 4.238 -16.026 10.203 1.00 0.00 N ATOM 0 H GLN A 39 6.374 -10.581 9.622 1.00 0.00 H new ATOM 0 HA GLN A 39 6.467 -13.506 9.687 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.562 -11.979 10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.145 -11.726 8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.779 -13.506 9.862 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.800 -14.139 8.585 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.773 -16.268 9.328 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.597 -16.763 10.810 1.00 0.00 H new ATOM 565 N PRO A 40 6.928 -13.843 7.275 1.00 0.00 N ATOM 566 CA PRO A 40 7.135 -14.154 5.857 1.00 0.00 C ATOM 567 C PRO A 40 5.862 -14.657 5.184 1.00 0.00 C ATOM 568 O PRO A 40 5.872 -15.019 4.008 1.00 0.00 O ATOM 569 CB PRO A 40 8.196 -15.256 5.886 1.00 0.00 C ATOM 570 CG PRO A 40 8.041 -15.896 7.223 1.00 0.00 C ATOM 571 CD PRO A 40 7.614 -14.799 8.159 1.00 0.00 C ATOM 0 HA PRO A 40 7.431 -13.275 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.041 -15.976 5.082 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.197 -14.845 5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.298 -16.693 7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.978 -16.347 7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.950 -15.172 8.939 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.468 -14.342 8.659 1.00 0.00 H new ATOM 579 N GLY A 41 4.768 -14.677 5.937 1.00 0.00 N ATOM 580 CA GLY A 41 3.502 -15.137 5.395 1.00 0.00 C ATOM 581 C GLY A 41 2.471 -14.029 5.306 1.00 0.00 C ATOM 582 O GLY A 41 1.333 -14.262 4.901 1.00 0.00 O ATOM 0 H GLY A 41 4.735 -14.383 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.666 -15.556 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.114 -15.941 6.020 1.00 0.00 H new ATOM 586 N ASP A 42 2.871 -12.820 5.687 1.00 0.00 N ATOM 587 CA ASP A 42 1.973 -11.671 5.648 1.00 0.00 C ATOM 588 C ASP A 42 2.502 -10.600 4.700 1.00 0.00 C ATOM 589 O ASP A 42 3.712 -10.438 4.543 1.00 0.00 O ATOM 590 CB ASP A 42 1.799 -11.088 7.051 1.00 0.00 C ATOM 591 CG ASP A 42 0.855 -11.910 7.908 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.053 -12.551 7.340 1.00 0.00 O ATOM 593 OD2 ASP A 42 1.025 -11.911 9.145 1.00 0.00 O ATOM 0 H ASP A 42 3.810 -12.611 6.026 1.00 0.00 H new ATOM 0 HA ASP A 42 1.004 -12.009 5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.771 -11.030 7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.420 -10.069 6.973 1.00 0.00 H new ATOM 598 N PHE A 43 1.587 -9.872 4.069 1.00 0.00 N ATOM 599 CA PHE A 43 1.961 -8.818 3.134 1.00 0.00 C ATOM 600 C PHE A 43 1.363 -7.479 3.557 1.00 0.00 C ATOM 601 O PHE A 43 0.626 -7.398 4.540 1.00 0.00 O ATOM 602 CB PHE A 43 1.496 -9.172 1.719 1.00 0.00 C ATOM 603 CG PHE A 43 2.030 -10.487 1.226 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.339 -11.663 1.463 1.00 0.00 C ATOM 605 CD2 PHE A 43 3.223 -10.544 0.523 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.828 -12.874 1.009 1.00 0.00 C ATOM 607 CE2 PHE A 43 3.716 -11.752 0.066 1.00 0.00 C ATOM 608 CZ PHE A 43 3.018 -12.918 0.311 1.00 0.00 C ATOM 0 H PHE A 43 0.581 -9.993 4.188 1.00 0.00 H new ATOM 0 HA PHE A 43 3.047 -8.730 3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.407 -9.201 1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.807 -8.383 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.407 -11.634 2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.773 -9.635 0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.279 -13.784 1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.646 -11.784 -0.482 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.403 -13.863 -0.043 1.00 0.00 H new ATOM 618 N VAL A 44 1.686 -6.430 2.808 1.00 0.00 N ATOM 619 CA VAL A 44 1.183 -5.095 3.103 1.00 0.00 C ATOM 620 C VAL A 44 1.035 -4.269 1.830 1.00 0.00 C ATOM 621 O VAL A 44 1.765 -4.468 0.859 1.00 0.00 O ATOM 622 CB VAL A 44 2.110 -4.348 4.082 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.603 -2.935 4.325 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.229 -5.114 5.391 1.00 0.00 C ATOM 0 H VAL A 44 2.295 -6.480 1.991 1.00 0.00 H new ATOM 0 HA VAL A 44 0.205 -5.222 3.566 1.00 0.00 H new ATOM 0 HB VAL A 44 3.102 -4.280 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.270 -2.423 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.575 -2.391 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.600 -2.976 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.887 -4.573 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.243 -5.215 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.642 -6.104 5.197 1.00 0.00 H new ATOM 634 N LEU A 45 0.085 -3.339 1.842 1.00 0.00 N ATOM 635 CA LEU A 45 -0.160 -2.481 0.688 1.00 0.00 C ATOM 636 C LEU A 45 -0.139 -1.009 1.090 1.00 0.00 C ATOM 637 O LEU A 45 -0.937 -0.571 1.918 1.00 0.00 O ATOM 638 CB LEU A 45 -1.504 -2.827 0.046 1.00 0.00 C ATOM 639 CG LEU A 45 -1.979 -1.889 -1.064 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.271 -2.207 -2.372 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.488 -1.987 -1.235 1.00 0.00 C ATOM 0 H LEU A 45 -0.527 -3.160 2.638 1.00 0.00 H new ATOM 0 HA LEU A 45 0.636 -2.652 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.440 -3.836 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.263 -2.846 0.828 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.731 -0.866 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.622 -1.529 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.196 -2.085 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.487 -3.235 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.809 -1.313 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.759 -3.010 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.979 -1.709 -0.302 1.00 0.00 H new ATOM 653 N SER A 46 0.777 -0.252 0.496 1.00 0.00 N ATOM 654 CA SER A 46 0.903 1.169 0.793 1.00 0.00 C ATOM 655 C SER A 46 0.356 2.015 -0.354 1.00 0.00 C ATOM 656 O SER A 46 0.521 1.675 -1.525 1.00 0.00 O ATOM 657 CB SER A 46 2.367 1.531 1.054 1.00 0.00 C ATOM 658 OG SER A 46 2.931 0.686 2.042 1.00 0.00 O ATOM 0 H SER A 46 1.443 -0.599 -0.194 1.00 0.00 H new ATOM 0 HA SER A 46 0.319 1.380 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.937 1.445 0.129 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.437 2.570 1.376 1.00 0.00 H new ATOM 0 HG SER A 46 2.275 0.532 2.754 1.00 0.00 H new ATOM 664 N VAL A 47 -0.298 3.119 -0.007 1.00 0.00 N ATOM 665 CA VAL A 47 -0.869 4.015 -1.006 1.00 0.00 C ATOM 666 C VAL A 47 -0.672 5.474 -0.613 1.00 0.00 C ATOM 667 O VAL A 47 -0.913 5.858 0.531 1.00 0.00 O ATOM 668 CB VAL A 47 -2.374 3.748 -1.205 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.963 4.732 -2.203 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.604 2.313 -1.657 1.00 0.00 C ATOM 0 H VAL A 47 -0.446 3.414 0.958 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.345 3.820 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.881 3.890 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.026 4.528 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.830 5.749 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.455 4.626 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.672 2.141 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.086 2.141 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.219 1.628 -0.902 1.00 0.00 H new ATOM 680 N LEU A 48 -0.231 6.284 -1.569 1.00 0.00 N ATOM 681 CA LEU A 48 0.000 7.704 -1.324 1.00 0.00 C ATOM 682 C LEU A 48 -1.259 8.517 -1.611 1.00 0.00 C ATOM 683 O LEU A 48 -1.525 8.884 -2.755 1.00 0.00 O ATOM 684 CB LEU A 48 1.155 8.209 -2.189 1.00 0.00 C ATOM 685 CG LEU A 48 1.767 9.548 -1.776 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.417 9.438 -0.406 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.778 10.016 -2.813 1.00 0.00 C ATOM 0 H LEU A 48 -0.026 5.982 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 48 0.260 7.829 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.943 7.455 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.802 8.295 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 48 0.968 10.288 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.847 10.401 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.667 9.150 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.204 8.684 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.203 10.970 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.574 9.277 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.282 10.136 -3.776 1.00 0.00 H new ATOM 699 N SER A 49 -2.027 8.796 -0.563 1.00 0.00 N ATOM 700 CA SER A 49 -3.258 9.565 -0.702 1.00 0.00 C ATOM 701 C SER A 49 -2.969 10.961 -1.244 1.00 0.00 C ATOM 702 O SER A 49 -1.859 11.475 -1.105 1.00 0.00 O ATOM 703 CB SER A 49 -3.976 9.667 0.645 1.00 0.00 C ATOM 704 OG SER A 49 -3.107 10.161 1.649 1.00 0.00 O ATOM 0 H SER A 49 -1.819 8.501 0.391 1.00 0.00 H new ATOM 0 HA SER A 49 -3.903 9.046 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.840 10.325 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.352 8.686 0.935 1.00 0.00 H new ATOM 0 HG SER A 49 -3.542 10.901 2.123 1.00 0.00 H new ATOM 710 N ASP A 50 -3.976 11.569 -1.861 1.00 0.00 N ATOM 711 CA ASP A 50 -3.830 12.908 -2.424 1.00 0.00 C ATOM 712 C ASP A 50 -3.917 13.969 -1.332 1.00 0.00 C ATOM 713 O ASP A 50 -3.859 15.166 -1.611 1.00 0.00 O ATOM 714 CB ASP A 50 -4.905 13.157 -3.483 1.00 0.00 C ATOM 715 CG ASP A 50 -5.007 14.620 -3.871 1.00 0.00 C ATOM 716 OD1 ASP A 50 -3.962 15.222 -4.192 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.132 15.162 -3.851 1.00 0.00 O ATOM 0 H ASP A 50 -4.901 11.158 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.848 12.975 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.682 12.564 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.869 12.816 -3.105 1.00 0.00 H new ATOM 722 N GLN A 51 -4.061 13.521 -0.089 1.00 0.00 N ATOM 723 CA GLN A 51 -4.158 14.433 1.045 1.00 0.00 C ATOM 724 C GLN A 51 -2.779 14.726 1.628 1.00 0.00 C ATOM 725 O GLN A 51 -2.104 13.843 2.158 1.00 0.00 O ATOM 726 CB GLN A 51 -5.067 13.843 2.124 1.00 0.00 C ATOM 727 CG GLN A 51 -6.544 13.879 1.762 1.00 0.00 C ATOM 728 CD GLN A 51 -7.419 13.236 2.819 1.00 0.00 C ATOM 729 OE1 GLN A 51 -6.940 12.838 3.882 1.00 0.00 O ATOM 730 NE2 GLN A 51 -8.711 13.129 2.533 1.00 0.00 N ATOM 0 H GLN A 51 -4.113 12.533 0.158 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.588 15.370 0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.772 12.810 2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.916 14.391 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.854 14.914 1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.694 13.367 0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.066 13.472 1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.349 12.704 3.206 1.00 0.00 H new ATOM 739 N PRO A 52 -2.351 15.992 1.530 1.00 0.00 N ATOM 740 CA PRO A 52 -1.049 16.430 2.043 1.00 0.00 C ATOM 741 C PRO A 52 -0.996 16.427 3.567 1.00 0.00 C ATOM 742 O PRO A 52 -1.991 16.711 4.234 1.00 0.00 O ATOM 743 CB PRO A 52 -0.919 17.858 1.506 1.00 0.00 C ATOM 744 CG PRO A 52 -2.322 18.317 1.306 1.00 0.00 C ATOM 745 CD PRO A 52 -3.105 17.096 0.911 1.00 0.00 C ATOM 0 HA PRO A 52 -0.243 15.767 1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.389 18.499 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.358 17.880 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.722 18.759 2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.376 19.082 0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.130 17.139 1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.160 16.987 -0.172 1.00 0.00 H new ATOM 753 N LYS A 53 0.172 16.105 4.113 1.00 0.00 N ATOM 754 CA LYS A 53 0.356 16.066 5.559 1.00 0.00 C ATOM 755 C LYS A 53 -0.010 17.406 6.190 1.00 0.00 C ATOM 756 O LYS A 53 -0.729 17.456 7.187 1.00 0.00 O ATOM 757 CB LYS A 53 1.805 15.708 5.899 1.00 0.00 C ATOM 758 CG LYS A 53 2.084 14.216 5.877 1.00 0.00 C ATOM 759 CD LYS A 53 3.377 13.880 6.601 1.00 0.00 C ATOM 760 CE LYS A 53 3.143 13.665 8.089 1.00 0.00 C ATOM 761 NZ LYS A 53 4.366 13.169 8.777 1.00 0.00 N ATOM 0 H LYS A 53 1.006 15.867 3.576 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.306 15.301 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.469 16.204 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.045 16.099 6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.256 13.683 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.144 13.871 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.815 12.981 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.096 14.687 6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.824 14.602 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.332 12.950 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.165 13.035 9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.656 12.262 8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.133 13.863 8.665 1.00 0.00 H new ATOM 775 N ALA A 54 0.489 18.488 5.601 1.00 0.00 N ATOM 776 CA ALA A 54 0.211 19.827 6.104 1.00 0.00 C ATOM 777 C ALA A 54 -0.531 20.661 5.065 1.00 0.00 C ATOM 778 O ALA A 54 -1.648 21.119 5.305 1.00 0.00 O ATOM 779 CB ALA A 54 1.505 20.517 6.510 1.00 0.00 C ATOM 0 H ALA A 54 1.088 18.463 4.775 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.429 19.733 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.283 21.516 6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.996 19.938 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.164 20.592 5.645 1.00 0.00 H new ATOM 785 N GLY A 55 0.097 20.854 3.909 1.00 0.00 N ATOM 786 CA GLY A 55 -0.519 21.634 2.852 1.00 0.00 C ATOM 787 C GLY A 55 0.236 21.532 1.542 1.00 0.00 C ATOM 788 O GLY A 55 0.821 20.499 1.216 1.00 0.00 O ATOM 0 H GLY A 55 1.021 20.484 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.544 21.295 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.570 22.679 3.158 1.00 0.00 H new ATOM 792 N PRO A 56 0.227 22.624 0.762 1.00 0.00 N ATOM 793 CA PRO A 56 0.911 22.677 -0.533 1.00 0.00 C ATOM 794 C PRO A 56 2.429 22.672 -0.388 1.00 0.00 C ATOM 795 O PRO A 56 3.064 23.726 -0.370 1.00 0.00 O ATOM 796 CB PRO A 56 0.435 24.003 -1.131 1.00 0.00 C ATOM 797 CG PRO A 56 0.074 24.842 0.047 1.00 0.00 C ATOM 798 CD PRO A 56 -0.450 23.891 1.087 1.00 0.00 C ATOM 0 HA PRO A 56 0.682 21.808 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.218 24.473 -1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.421 23.856 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.942 25.387 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.679 25.584 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.211 24.227 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.534 23.793 1.032 1.00 0.00 H new ATOM 806 N GLY A 57 3.006 21.479 -0.286 1.00 0.00 N ATOM 807 CA GLY A 57 4.445 21.360 -0.144 1.00 0.00 C ATOM 808 C GLY A 57 4.849 20.156 0.684 1.00 0.00 C ATOM 809 O GLY A 57 5.957 19.640 0.541 1.00 0.00 O ATOM 0 H GLY A 57 2.502 20.592 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.900 21.287 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.837 22.265 0.321 1.00 0.00 H new ATOM 813 N SER A 58 3.948 19.709 1.553 1.00 0.00 N ATOM 814 CA SER A 58 4.219 18.562 2.412 1.00 0.00 C ATOM 815 C SER A 58 4.061 17.256 1.639 1.00 0.00 C ATOM 816 O SER A 58 3.318 17.169 0.661 1.00 0.00 O ATOM 817 CB SER A 58 3.280 18.569 3.620 1.00 0.00 C ATOM 818 OG SER A 58 1.925 18.491 3.213 1.00 0.00 O ATOM 0 H SER A 58 3.025 20.123 1.681 1.00 0.00 H new ATOM 0 HA SER A 58 5.249 18.636 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.516 17.729 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.437 19.478 4.201 1.00 0.00 H new ATOM 0 HG SER A 58 1.866 18.627 2.244 1.00 0.00 H new ATOM 824 N PRO A 59 4.775 16.213 2.087 1.00 0.00 N ATOM 825 CA PRO A 59 4.732 14.893 1.453 1.00 0.00 C ATOM 826 C PRO A 59 3.394 14.192 1.665 1.00 0.00 C ATOM 827 O PRO A 59 3.031 13.855 2.793 1.00 0.00 O ATOM 828 CB PRO A 59 5.855 14.124 2.155 1.00 0.00 C ATOM 829 CG PRO A 59 6.001 14.793 3.479 1.00 0.00 C ATOM 830 CD PRO A 59 5.682 16.244 3.247 1.00 0.00 C ATOM 0 HA PRO A 59 4.852 14.957 0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.602 13.070 2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.783 14.169 1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.324 14.357 4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.012 14.673 3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.206 16.695 4.118 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.581 16.825 3.039 1.00 0.00 H new ATOM 838 N LEU A 60 2.666 13.974 0.575 1.00 0.00 N ATOM 839 CA LEU A 60 1.369 13.311 0.643 1.00 0.00 C ATOM 840 C LEU A 60 1.377 12.200 1.688 1.00 0.00 C ATOM 841 O LEU A 60 2.390 11.530 1.888 1.00 0.00 O ATOM 842 CB LEU A 60 0.996 12.737 -0.725 1.00 0.00 C ATOM 843 CG LEU A 60 0.510 13.745 -1.767 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.262 13.058 -3.100 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.753 14.445 -1.283 1.00 0.00 C ATOM 0 H LEU A 60 2.952 14.247 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 60 0.625 14.052 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.866 12.219 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.217 11.988 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 60 1.287 14.496 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.083 13.791 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.188 12.604 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.497 12.285 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.085 15.159 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.536 13.706 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.543 14.972 -0.352 1.00 0.00 H new ATOM 857 N ARG A 61 0.241 12.010 2.350 1.00 0.00 N ATOM 858 CA ARG A 61 0.117 10.980 3.375 1.00 0.00 C ATOM 859 C ARG A 61 0.232 9.587 2.762 1.00 0.00 C ATOM 860 O ARG A 61 -0.130 9.375 1.604 1.00 0.00 O ATOM 861 CB ARG A 61 -1.219 11.117 4.108 1.00 0.00 C ATOM 862 CG ARG A 61 -1.169 10.656 5.556 1.00 0.00 C ATOM 863 CD ARG A 61 -0.538 11.708 6.454 1.00 0.00 C ATOM 864 NE ARG A 61 -0.747 11.415 7.870 1.00 0.00 N ATOM 865 CZ ARG A 61 -1.921 11.534 8.480 1.00 0.00 C ATOM 866 NH1 ARG A 61 -2.986 11.937 7.801 1.00 0.00 N ATOM 867 NH2 ARG A 61 -2.031 11.247 9.771 1.00 0.00 N ATOM 0 H ARG A 61 -0.607 12.555 2.195 1.00 0.00 H new ATOM 0 HA ARG A 61 0.930 11.113 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.535 12.160 4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.976 10.539 3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.178 10.437 5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.600 9.729 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.531 11.765 6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.960 12.685 6.220 1.00 0.00 H new ATOM 0 HE ARG A 61 0.053 11.102 8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.905 12.156 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.886 12.028 8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.214 10.935 10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.933 11.339 10.239 1.00 0.00 H new ATOM 881 N VAL A 62 0.738 8.641 3.546 1.00 0.00 N ATOM 882 CA VAL A 62 0.900 7.269 3.081 1.00 0.00 C ATOM 883 C VAL A 62 0.099 6.298 3.941 1.00 0.00 C ATOM 884 O VAL A 62 0.404 6.094 5.117 1.00 0.00 O ATOM 885 CB VAL A 62 2.381 6.843 3.091 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.514 5.365 2.758 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.185 7.692 2.118 1.00 0.00 C ATOM 0 H VAL A 62 1.043 8.800 4.506 1.00 0.00 H new ATOM 0 HA VAL A 62 0.527 7.237 2.057 1.00 0.00 H new ATOM 0 HB VAL A 62 2.780 7.002 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.567 5.083 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.972 4.775 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.099 5.176 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.229 7.378 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.787 7.567 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.116 8.741 2.407 1.00 0.00 H new ATOM 897 N THR A 63 -0.930 5.700 3.348 1.00 0.00 N ATOM 898 CA THR A 63 -1.776 4.752 4.059 1.00 0.00 C ATOM 899 C THR A 63 -1.187 3.346 4.014 1.00 0.00 C ATOM 900 O THR A 63 -0.948 2.797 2.937 1.00 0.00 O ATOM 901 CB THR A 63 -3.200 4.718 3.471 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.777 6.027 3.512 1.00 0.00 O ATOM 903 CG2 THR A 63 -4.081 3.745 4.241 1.00 0.00 C ATOM 0 H THR A 63 -1.197 5.856 2.376 1.00 0.00 H new ATOM 0 HA THR A 63 -1.826 5.089 5.094 1.00 0.00 H new ATOM 0 HB THR A 63 -3.134 4.382 2.436 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.752 5.957 3.445 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.081 3.738 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.654 2.744 4.183 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.140 4.055 5.284 1.00 0.00 H new ATOM 911 N HIS A 64 -0.956 2.768 5.188 1.00 0.00 N ATOM 912 CA HIS A 64 -0.395 1.425 5.281 1.00 0.00 C ATOM 913 C HIS A 64 -1.483 0.402 5.594 1.00 0.00 C ATOM 914 O HIS A 64 -1.985 0.339 6.716 1.00 0.00 O ATOM 915 CB HIS A 64 0.691 1.377 6.357 1.00 0.00 C ATOM 916 CG HIS A 64 1.845 2.291 6.085 1.00 0.00 C ATOM 917 ND1 HIS A 64 2.846 1.993 5.184 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.154 3.504 6.600 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.721 2.982 5.157 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.324 3.911 6.008 1.00 0.00 N ATOM 0 H HIS A 64 -1.148 3.208 6.088 1.00 0.00 H new ATOM 0 HA HIS A 64 0.047 1.175 4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.250 1.639 7.319 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.060 0.355 6.443 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.902 1.141 4.625 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.586 4.050 7.339 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.609 3.024 4.544 1.00 0.00 H new ATOM 929 N ILE A 65 -1.843 -0.395 4.593 1.00 0.00 N ATOM 930 CA ILE A 65 -2.872 -1.414 4.762 1.00 0.00 C ATOM 931 C ILE A 65 -2.276 -2.815 4.671 1.00 0.00 C ATOM 932 O ILE A 65 -1.995 -3.313 3.580 1.00 0.00 O ATOM 933 CB ILE A 65 -3.984 -1.272 3.706 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.582 0.136 3.752 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.064 -2.320 3.930 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.226 0.561 2.451 1.00 0.00 C ATOM 0 H ILE A 65 -1.438 -0.355 3.658 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.303 -1.267 5.753 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.551 -1.431 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.326 0.180 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.797 0.847 4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.843 -2.207 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.627 -3.315 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.497 -2.190 4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.628 1.569 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.481 0.549 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.033 -0.128 2.203 1.00 0.00 H new ATOM 948 N LYS A 66 -2.088 -3.448 5.824 1.00 0.00 N ATOM 949 CA LYS A 66 -1.530 -4.794 5.877 1.00 0.00 C ATOM 950 C LYS A 66 -2.463 -5.797 5.204 1.00 0.00 C ATOM 951 O LYS A 66 -3.667 -5.810 5.462 1.00 0.00 O ATOM 952 CB LYS A 66 -1.280 -5.208 7.328 1.00 0.00 C ATOM 953 CG LYS A 66 -2.506 -5.085 8.216 1.00 0.00 C ATOM 954 CD LYS A 66 -2.138 -5.157 9.689 1.00 0.00 C ATOM 955 CE LYS A 66 -1.888 -3.774 10.270 1.00 0.00 C ATOM 956 NZ LYS A 66 -3.038 -2.858 10.035 1.00 0.00 N ATOM 0 H LYS A 66 -2.314 -3.050 6.735 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.582 -4.789 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.930 -6.240 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.480 -4.592 7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.011 -4.141 8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.211 -5.881 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.940 -5.645 10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.246 -5.771 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.703 -3.858 11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.989 -3.350 9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.052 -2.123 10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.941 -2.411 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.925 -3.399 10.069 1.00 0.00 H new ATOM 970 N VAL A 67 -1.899 -6.637 4.342 1.00 0.00 N ATOM 971 CA VAL A 67 -2.680 -7.644 3.635 1.00 0.00 C ATOM 972 C VAL A 67 -2.517 -9.017 4.278 1.00 0.00 C ATOM 973 O VAL A 67 -1.441 -9.612 4.233 1.00 0.00 O ATOM 974 CB VAL A 67 -2.271 -7.733 2.152 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.210 -8.658 1.394 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.249 -6.349 1.523 1.00 0.00 C ATOM 0 H VAL A 67 -0.904 -6.640 4.117 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.724 -7.337 3.699 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.265 -8.149 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.906 -8.708 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.170 -9.655 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.228 -8.274 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.958 -6.430 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.241 -5.903 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.532 -5.721 2.051 1.00 0.00 H new ATOM 986 N MET A 68 -3.594 -9.514 4.878 1.00 0.00 N ATOM 987 CA MET A 68 -3.571 -10.819 5.529 1.00 0.00 C ATOM 988 C MET A 68 -3.727 -11.940 4.507 1.00 0.00 C ATOM 989 O MET A 68 -4.255 -11.728 3.415 1.00 0.00 O ATOM 990 CB MET A 68 -4.683 -10.910 6.577 1.00 0.00 C ATOM 991 CG MET A 68 -4.292 -10.337 7.930 1.00 0.00 C ATOM 992 SD MET A 68 -5.636 -10.408 9.129 1.00 0.00 S ATOM 993 CE MET A 68 -6.807 -9.271 8.391 1.00 0.00 C ATOM 0 H MET A 68 -4.492 -9.034 4.927 1.00 0.00 H new ATOM 0 HA MET A 68 -2.606 -10.933 6.023 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.562 -10.382 6.208 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.968 -11.955 6.703 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.434 -10.886 8.319 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.977 -9.301 7.804 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.205 -8.609 9.160 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.306 -8.679 7.625 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.624 -9.833 7.938 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.265 -13.132 4.868 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.351 -14.287 3.982 1.00 0.00 C ATOM 1005 C CYS A 69 -4.033 -15.459 4.680 1.00 0.00 C ATOM 1006 O CYS A 69 -3.773 -15.730 5.852 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.957 -14.700 3.509 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.936 -16.183 2.476 1.00 0.00 S ATOM 0 H CYS A 69 -2.827 -13.324 5.769 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.950 -14.005 3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.516 -13.875 2.950 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.325 -14.869 4.381 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.902 -16.121 1.609 1.00 0.00 H new ATOM 1014 N GLU A 70 -4.908 -16.148 3.953 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.628 -17.289 4.505 1.00 0.00 C ATOM 1016 C GLU A 70 -5.501 -18.505 3.593 1.00 0.00 C ATOM 1017 O GLU A 70 -6.442 -18.864 2.885 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.103 -16.939 4.706 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.345 -15.933 5.820 1.00 0.00 C ATOM 1020 CD GLU A 70 -6.830 -16.413 7.162 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -7.120 -17.572 7.527 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -6.139 -15.631 7.847 1.00 0.00 O ATOM 0 H GLU A 70 -5.135 -15.936 2.981 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.185 -17.534 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.503 -16.539 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.657 -17.851 4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.860 -14.991 5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.413 -15.731 5.896 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.330 -19.135 3.614 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.101 -20.304 2.785 1.00 0.00 C ATOM 1031 C GLY A 71 -3.966 -19.954 1.316 1.00 0.00 C ATOM 1032 O GLY A 71 -4.723 -20.448 0.480 1.00 0.00 O ATOM 0 H GLY A 71 -3.536 -18.856 4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.196 -20.811 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.926 -21.005 2.914 1.00 0.00 H new ATOM 1036 N GLY A 72 -2.999 -19.099 0.999 1.00 0.00 N ATOM 1037 CA GLY A 72 -2.786 -18.697 -0.379 1.00 0.00 C ATOM 1038 C GLY A 72 -3.534 -17.427 -0.735 1.00 0.00 C ATOM 1039 O GLY A 72 -2.979 -16.527 -1.365 1.00 0.00 O ATOM 0 H GLY A 72 -2.359 -18.677 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.720 -18.547 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.105 -19.501 -1.042 1.00 0.00 H new ATOM 1043 N ARG A 73 -4.799 -17.355 -0.332 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.625 -16.187 -0.615 1.00 0.00 C ATOM 1045 C ARG A 73 -5.182 -14.991 0.223 1.00 0.00 C ATOM 1046 O ARG A 73 -4.304 -15.110 1.077 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.098 -16.499 -0.339 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.679 -17.559 -1.261 1.00 0.00 C ATOM 1049 CD ARG A 73 -8.882 -18.244 -0.633 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.517 -19.184 -1.551 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.335 -20.156 -1.159 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -10.615 -20.313 0.126 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -10.875 -20.971 -2.056 1.00 0.00 N ATOM 0 H ARG A 73 -5.274 -18.091 0.191 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.505 -15.935 -1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.203 -16.831 0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.680 -15.583 -0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.972 -17.100 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.915 -18.302 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.569 -18.772 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.608 -17.491 -0.325 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.323 -19.090 -2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.203 -19.687 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.243 -21.060 0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.663 -20.852 -3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.503 -21.717 -1.755 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.793 -13.839 -0.030 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.460 -12.622 0.698 1.00 0.00 C ATOM 1069 C TYR A 74 -6.721 -11.842 1.063 1.00 0.00 C ATOM 1070 O TYR A 74 -7.666 -11.765 0.280 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.528 -11.742 -0.137 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.254 -12.438 -0.558 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.431 -13.050 0.381 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.871 -12.484 -1.892 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.265 -13.686 0.001 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.709 -13.121 -2.281 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.909 -13.720 -1.331 1.00 0.00 C ATOM 1078 OH TYR A 74 0.251 -14.353 -1.715 1.00 0.00 O ATOM 0 H TYR A 74 -6.522 -13.723 -0.734 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.952 -12.908 1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.060 -11.406 -1.027 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.273 -10.851 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.708 -13.028 1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.493 -12.013 -2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.635 -14.154 0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.428 -13.150 -3.324 1.00 0.00 H new ATOM 0 HH TYR A 74 0.971 -14.123 -1.091 1.00 0.00 H new ATOM 1088 N THR A 75 -6.725 -11.266 2.262 1.00 0.00 N ATOM 1089 CA THR A 75 -7.867 -10.494 2.734 1.00 0.00 C ATOM 1090 C THR A 75 -7.417 -9.303 3.572 1.00 0.00 C ATOM 1091 O THR A 75 -6.290 -9.269 4.066 1.00 0.00 O ATOM 1092 CB THR A 75 -8.827 -11.363 3.569 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.089 -10.702 3.710 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.240 -11.647 4.944 1.00 0.00 C ATOM 0 H THR A 75 -5.950 -11.320 2.923 1.00 0.00 H new ATOM 0 HA THR A 75 -8.392 -10.134 1.849 1.00 0.00 H new ATOM 0 HB THR A 75 -8.971 -12.310 3.050 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.810 -11.366 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.935 -12.262 5.516 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.293 -12.176 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.071 -10.707 5.469 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.307 -8.327 3.731 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.001 -7.134 4.511 1.00 0.00 C ATOM 1104 C VAL A 76 -9.051 -6.901 5.592 1.00 0.00 C ATOM 1105 O VAL A 76 -10.019 -6.170 5.384 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.914 -5.884 3.616 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.558 -5.810 2.933 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.038 -5.885 2.591 1.00 0.00 C ATOM 0 H VAL A 76 -9.245 -8.340 3.330 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.032 -7.302 4.980 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.026 -5.000 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.515 -4.920 2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.773 -5.760 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.412 -6.697 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.962 -4.995 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.960 -6.774 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.999 -5.886 3.105 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.854 -7.527 6.748 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.792 -7.374 7.845 1.00 0.00 C ATOM 1120 C GLY A 77 -11.057 -8.184 7.641 1.00 0.00 C ATOM 1121 O GLY A 77 -11.416 -9.008 8.481 1.00 0.00 O ATOM 0 H GLY A 77 -8.061 -8.138 6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.313 -7.681 8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.052 -6.321 7.953 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.737 -7.946 6.523 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.963 -8.665 6.234 1.00 0.00 C ATOM 1127 C GLY A 78 -12.732 -10.151 6.043 1.00 0.00 C ATOM 1128 O GLY A 78 -11.595 -10.594 5.877 1.00 0.00 O ATOM 0 H GLY A 78 -11.460 -7.268 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.671 -8.512 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.419 -8.253 5.334 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.813 -10.924 6.067 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.723 -12.371 5.897 1.00 0.00 C ATOM 1134 C LEU A 79 -13.497 -12.734 4.433 1.00 0.00 C ATOM 1135 O LEU A 79 -12.983 -13.807 4.122 1.00 0.00 O ATOM 1136 CB LEU A 79 -14.997 -13.044 6.410 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.213 -13.005 7.925 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.669 -13.286 8.263 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.299 -14.005 8.619 1.00 0.00 C ATOM 0 H LEU A 79 -14.761 -10.573 6.202 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.872 -12.728 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.853 -12.571 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.987 -14.086 6.091 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.964 -12.006 8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.804 -13.254 9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.303 -12.532 7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.945 -14.273 7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.466 -13.964 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.517 -15.010 8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.259 -13.758 8.403 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.884 -11.830 3.538 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.722 -12.055 2.106 1.00 0.00 C ATOM 1153 C GLU A 80 -12.296 -12.493 1.782 1.00 0.00 C ATOM 1154 O GLU A 80 -11.441 -12.566 2.666 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.067 -10.786 1.325 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.534 -10.685 0.944 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.831 -11.312 -0.405 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.211 -12.347 -0.726 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.682 -10.767 -1.138 1.00 0.00 O ATOM 0 H GLU A 80 -14.311 -10.936 3.779 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.405 -12.851 1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.795 -9.916 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.462 -10.751 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.138 -11.173 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.829 -9.636 0.926 1.00 0.00 H new ATOM 1166 N THR A 81 -12.048 -12.785 0.510 1.00 0.00 N ATOM 1167 CA THR A 81 -10.728 -13.216 0.067 1.00 0.00 C ATOM 1168 C THR A 81 -10.515 -12.913 -1.411 1.00 0.00 C ATOM 1169 O THR A 81 -11.452 -12.540 -2.119 1.00 0.00 O ATOM 1170 CB THR A 81 -10.522 -14.725 0.305 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.304 -15.478 -0.629 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.911 -15.107 1.725 1.00 0.00 C ATOM 0 H THR A 81 -12.745 -12.731 -0.233 1.00 0.00 H new ATOM 0 HA THR A 81 -10.000 -12.658 0.656 1.00 0.00 H new ATOM 0 HB THR A 81 -9.466 -14.953 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.563 -16.333 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.757 -16.176 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.294 -14.553 2.433 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.961 -14.866 1.892 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.280 -13.075 -1.872 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.945 -12.818 -3.268 1.00 0.00 C ATOM 1182 C PHE A 82 -7.854 -13.769 -3.750 1.00 0.00 C ATOM 1183 O PHE A 82 -6.923 -14.088 -3.011 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.489 -11.368 -3.446 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.512 -10.359 -3.008 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.670 -10.051 -1.667 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.314 -9.719 -3.938 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.611 -9.123 -1.261 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.257 -8.790 -3.539 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.405 -8.492 -2.199 1.00 0.00 C ATOM 0 H PHE A 82 -8.494 -13.383 -1.300 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.840 -12.987 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.571 -11.212 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.249 -11.198 -4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.051 -10.541 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.202 -9.948 -4.987 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.725 -8.892 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.877 -8.298 -4.274 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.141 -7.766 -1.885 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.978 -14.220 -4.994 1.00 0.00 N ATOM 1201 CA ASP A 83 -7.003 -15.135 -5.576 1.00 0.00 C ATOM 1202 C ASP A 83 -5.586 -14.756 -5.159 1.00 0.00 C ATOM 1203 O ASP A 83 -4.842 -15.582 -4.629 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.117 -15.133 -7.101 1.00 0.00 C ATOM 1205 CG ASP A 83 -5.978 -15.879 -7.768 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -5.729 -17.041 -7.389 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -5.335 -15.298 -8.669 1.00 0.00 O ATOM 0 H ASP A 83 -8.744 -13.967 -5.618 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.216 -16.138 -5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.064 -15.587 -7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.133 -14.104 -7.460 1.00 0.00 H new ATOM 1212 N SER A 84 -5.218 -13.502 -5.402 1.00 0.00 N ATOM 1213 CA SER A 84 -3.887 -13.015 -5.056 1.00 0.00 C ATOM 1214 C SER A 84 -3.862 -11.490 -5.011 1.00 0.00 C ATOM 1215 O SER A 84 -4.883 -10.834 -5.220 1.00 0.00 O ATOM 1216 CB SER A 84 -2.857 -13.525 -6.065 1.00 0.00 C ATOM 1217 OG SER A 84 -3.286 -13.290 -7.395 1.00 0.00 O ATOM 0 H SER A 84 -5.822 -12.805 -5.837 1.00 0.00 H new ATOM 0 HA SER A 84 -3.633 -13.394 -4.066 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.901 -13.030 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.694 -14.592 -5.915 1.00 0.00 H new ATOM 0 HG SER A 84 -3.906 -13.998 -7.669 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.688 -10.932 -4.737 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.527 -9.485 -4.665 1.00 0.00 C ATOM 1225 C LEU A 85 -3.186 -8.803 -5.859 1.00 0.00 C ATOM 1226 O LEU A 85 -3.667 -7.674 -5.757 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.043 -9.119 -4.609 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.400 -9.133 -3.222 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.152 -8.209 -2.276 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.359 -10.549 -2.667 1.00 0.00 C ATOM 0 H LEU A 85 -1.833 -11.460 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.016 -9.135 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.494 -9.810 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.919 -8.123 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 85 0.624 -8.771 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.680 -8.232 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.129 -7.192 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.187 -8.541 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.102 -10.539 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.374 -10.939 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.224 -11.184 -3.333 1.00 0.00 H new ATOM 1242 N THR A 86 -3.207 -9.498 -6.993 1.00 0.00 N ATOM 1243 CA THR A 86 -3.808 -8.961 -8.208 1.00 0.00 C ATOM 1244 C THR A 86 -5.318 -8.823 -8.059 1.00 0.00 C ATOM 1245 O THR A 86 -5.864 -7.723 -8.157 1.00 0.00 O ATOM 1246 CB THR A 86 -3.502 -9.851 -9.427 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.086 -10.010 -9.575 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.085 -9.249 -10.696 1.00 0.00 C ATOM 0 H THR A 86 -2.815 -10.434 -7.095 1.00 0.00 H new ATOM 0 HA THR A 86 -3.370 -7.976 -8.369 1.00 0.00 H new ATOM 0 HB THR A 86 -3.961 -10.826 -9.262 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.900 -10.578 -10.351 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.856 -9.895 -11.544 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.166 -9.157 -10.592 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.651 -8.263 -10.864 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.990 -9.945 -7.822 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.439 -9.949 -7.658 1.00 0.00 C ATOM 1258 C ASP A 87 -7.860 -9.015 -6.528 1.00 0.00 C ATOM 1259 O ASP A 87 -8.892 -8.348 -6.612 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.937 -11.367 -7.376 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.434 -11.504 -7.574 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.150 -10.497 -7.396 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.889 -12.620 -7.906 1.00 0.00 O ATOM 0 H ASP A 87 -5.554 -10.863 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.886 -9.593 -8.586 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.421 -12.068 -8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.682 -11.642 -6.353 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.056 -8.973 -5.471 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.346 -8.120 -4.324 1.00 0.00 C ATOM 1270 C LEU A 88 -7.198 -6.647 -4.688 1.00 0.00 C ATOM 1271 O LEU A 88 -8.163 -5.883 -4.637 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.416 -8.465 -3.159 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.664 -7.709 -1.854 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.273 -8.563 -0.658 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.900 -6.394 -1.846 1.00 0.00 C ATOM 0 H LEU A 88 -6.199 -9.519 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.378 -8.298 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.500 -9.533 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.389 -8.279 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.729 -7.488 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.457 -8.007 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.866 -9.477 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.215 -8.817 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.089 -5.869 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.833 -6.593 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.231 -5.776 -2.681 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.983 -6.253 -5.057 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.709 -4.871 -5.434 1.00 0.00 C ATOM 1289 C VAL A 89 -6.662 -4.399 -6.527 1.00 0.00 C ATOM 1290 O VAL A 89 -7.386 -3.421 -6.352 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.258 -4.700 -5.924 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.011 -3.268 -6.369 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.278 -5.106 -4.833 1.00 0.00 C ATOM 0 H VAL A 89 -5.173 -6.871 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.857 -4.264 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.102 -5.353 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.981 -3.166 -6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.691 -3.018 -7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.183 -2.592 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.258 -4.979 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.432 -4.480 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.442 -6.150 -4.567 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.654 -5.105 -7.654 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.519 -4.757 -8.777 1.00 0.00 C ATOM 1305 C GLU A 90 -8.931 -4.438 -8.297 1.00 0.00 C ATOM 1306 O GLU A 90 -9.449 -3.346 -8.539 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.560 -5.902 -9.791 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.308 -6.004 -10.645 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.569 -6.656 -11.989 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.716 -6.569 -12.475 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.629 -7.250 -12.554 1.00 0.00 O ATOM 0 H GLU A 90 -6.060 -5.919 -7.814 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.108 -3.869 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.704 -6.842 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.424 -5.769 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.898 -5.006 -10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.552 -6.577 -10.108 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.551 -5.397 -7.616 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.904 -5.218 -7.101 1.00 0.00 C ATOM 1320 C HIS A 91 -10.994 -3.966 -6.234 1.00 0.00 C ATOM 1321 O HIS A 91 -12.070 -3.393 -6.063 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.332 -6.444 -6.295 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.613 -6.250 -5.545 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.879 -5.568 -4.406 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.813 -6.794 -5.952 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.220 -5.711 -4.149 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.761 -6.455 -5.098 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.138 -6.306 -7.408 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.577 -5.099 -7.950 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.441 -7.293 -6.970 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.542 -6.698 -5.589 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.955 -7.403 -6.833 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.747 -5.285 -3.308 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.744 -6.722 -5.160 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.857 -3.548 -5.686 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.809 -2.365 -4.835 1.00 0.00 C ATOM 1338 C PHE A 92 -9.450 -1.125 -5.647 1.00 0.00 C ATOM 1339 O PHE A 92 -9.632 0.005 -5.192 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.792 -2.563 -3.709 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.391 -3.127 -2.452 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.456 -2.493 -1.832 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.891 -4.292 -1.892 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.008 -3.011 -0.675 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.439 -4.814 -0.736 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.500 -4.172 -0.127 1.00 0.00 C ATOM 0 H PHE A 92 -8.957 -4.011 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.798 -2.219 -4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.003 -3.229 -4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.324 -1.606 -3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.859 -1.585 -2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.063 -4.798 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.837 -2.507 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.039 -5.722 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.931 -4.578 0.776 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.937 -1.342 -6.853 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.552 -0.244 -7.731 1.00 0.00 C ATOM 1358 C LYS A 93 -9.782 0.423 -8.340 1.00 0.00 C ATOM 1359 O LYS A 93 -9.717 1.562 -8.805 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.631 -0.751 -8.844 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.303 -1.285 -8.337 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.202 -1.110 -9.370 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.311 -2.141 -10.481 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.419 -1.817 -11.629 1.00 0.00 N ATOM 0 H LYS A 93 -8.778 -2.270 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.017 0.494 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.143 -1.539 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.442 0.061 -9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.028 -0.766 -7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.405 -2.341 -8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.257 -0.108 -9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.230 -1.198 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.055 -3.125 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.343 -2.194 -10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.523 -2.544 -12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.679 -0.889 -12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.431 -1.791 -11.305 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.902 -0.292 -8.332 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.147 0.231 -8.880 1.00 0.00 C ATOM 1380 C LYS A 94 -13.115 0.613 -7.764 1.00 0.00 C ATOM 1381 O LYS A 94 -13.852 1.593 -7.875 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.798 -0.805 -9.801 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.989 -2.163 -9.150 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.475 -3.198 -10.151 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.328 -4.264 -9.480 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.070 -5.087 -10.474 1.00 0.00 N ATOM 0 H LYS A 94 -10.973 -1.236 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.913 1.126 -9.457 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.767 -0.429 -10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.183 -0.923 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.047 -2.493 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.707 -2.079 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.054 -2.706 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.619 -3.667 -10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.692 -4.911 -8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.036 -3.789 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.639 -5.802 -9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.696 -4.474 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.394 -5.561 -11.106 1.00 0.00 H new ATOM 1400 N THR A 95 -13.107 -0.167 -6.688 1.00 0.00 N ATOM 1401 CA THR A 95 -13.983 0.089 -5.551 1.00 0.00 C ATOM 1402 C THR A 95 -13.332 1.045 -4.560 1.00 0.00 C ATOM 1403 O THR A 95 -13.891 2.091 -4.229 1.00 0.00 O ATOM 1404 CB THR A 95 -14.354 -1.216 -4.821 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.174 -1.837 -4.299 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.067 -2.177 -5.761 1.00 0.00 C ATOM 0 H THR A 95 -12.503 -0.982 -6.580 1.00 0.00 H new ATOM 0 HA THR A 95 -14.890 0.544 -5.948 1.00 0.00 H new ATOM 0 HB THR A 95 -15.027 -0.970 -4.000 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.825 -2.478 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.319 -3.091 -5.224 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.979 -1.712 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.414 -2.417 -6.600 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.143 0.681 -4.086 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.434 1.519 -3.137 1.00 0.00 C ATOM 1416 C GLY A 96 -11.546 1.005 -1.715 1.00 0.00 C ATOM 1417 O GLY A 96 -12.518 0.334 -1.365 1.00 0.00 O ATOM 0 H GLY A 96 -11.659 -0.179 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.383 1.573 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.830 2.533 -3.186 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.551 1.321 -0.893 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.543 0.887 0.499 1.00 0.00 C ATOM 1423 C ILE A 97 -10.975 2.014 1.429 1.00 0.00 C ATOM 1424 O ILE A 97 -10.591 3.169 1.241 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.149 0.389 0.925 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.734 -0.819 0.083 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.141 0.039 2.405 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.236 -0.962 -0.072 1.00 0.00 C ATOM 0 H ILE A 97 -9.740 1.876 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.253 0.064 0.577 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.427 1.189 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.132 -1.725 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.187 -0.736 -0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.149 -0.311 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.396 0.923 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.872 -0.746 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.015 -1.839 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.834 -0.073 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.778 -1.077 0.910 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.774 1.672 2.435 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.257 2.656 3.396 1.00 0.00 C ATOM 1442 C GLU A 98 -11.647 2.417 4.774 1.00 0.00 C ATOM 1443 O GLU A 98 -11.844 1.363 5.377 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.784 2.607 3.487 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.344 3.323 4.704 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.860 3.343 4.722 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.470 2.973 3.697 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.437 3.727 5.761 1.00 0.00 O ATOM 0 H GLU A 98 -12.100 0.721 2.605 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.952 3.643 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.208 3.052 2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.105 1.566 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.980 2.835 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.970 4.347 4.722 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.902 3.404 5.265 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.261 3.299 6.570 1.00 0.00 C ATOM 1457 C GLU A 99 -11.200 3.774 7.676 1.00 0.00 C ATOM 1458 O GLU A 99 -11.855 4.807 7.547 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.969 4.119 6.596 1.00 0.00 C ATOM 1460 CG GLU A 99 -8.043 3.831 5.427 1.00 0.00 C ATOM 1461 CD GLU A 99 -8.366 4.670 4.205 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -9.204 4.233 3.390 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -7.778 5.764 4.066 1.00 0.00 O ATOM 0 H GLU A 99 -10.728 4.284 4.779 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.021 2.250 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.221 5.179 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.439 3.917 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.013 4.019 5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.111 2.775 5.166 1.00 0.00 H new ATOM 1470 N ALA A 100 -11.258 3.011 8.762 1.00 0.00 N ATOM 1471 CA ALA A 100 -12.114 3.353 9.891 1.00 0.00 C ATOM 1472 C ALA A 100 -12.084 4.852 10.169 1.00 0.00 C ATOM 1473 O ALA A 100 -13.128 5.500 10.242 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.691 2.577 11.129 1.00 0.00 C ATOM 0 H ALA A 100 -10.722 2.152 8.884 1.00 0.00 H new ATOM 0 HA ALA A 100 -13.137 3.078 9.635 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.339 2.843 11.964 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.771 1.508 10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.659 2.824 11.378 1.00 0.00 H new ATOM 1480 N SER A 101 -10.881 5.396 10.323 1.00 0.00 N ATOM 1481 CA SER A 101 -10.716 6.819 10.597 1.00 0.00 C ATOM 1482 C SER A 101 -11.695 7.649 9.773 1.00 0.00 C ATOM 1483 O SER A 101 -12.263 8.625 10.260 1.00 0.00 O ATOM 1484 CB SER A 101 -9.280 7.255 10.294 1.00 0.00 C ATOM 1485 OG SER A 101 -8.409 6.913 11.358 1.00 0.00 O ATOM 0 H SER A 101 -10.007 4.874 10.263 1.00 0.00 H new ATOM 0 HA SER A 101 -10.925 6.986 11.654 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.939 6.781 9.374 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.251 8.332 10.128 1.00 0.00 H new ATOM 0 HG SER A 101 -7.498 7.200 11.140 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.889 7.251 8.519 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.800 7.968 7.645 1.00 0.00 C ATOM 1493 C GLY A 102 -12.133 8.429 6.364 1.00 0.00 C ATOM 1494 O GLY A 102 -12.526 9.439 5.781 1.00 0.00 O ATOM 0 H GLY A 102 -11.432 6.445 8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.645 7.325 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.201 8.833 8.174 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.121 7.688 5.927 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.398 8.026 4.707 1.00 0.00 C ATOM 1500 C ALA A 103 -10.651 6.992 3.615 1.00 0.00 C ATOM 1501 O ALA A 103 -10.921 5.826 3.901 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.908 8.143 4.992 1.00 0.00 C ATOM 0 H ALA A 103 -10.783 6.850 6.399 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.765 8.989 4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.380 8.396 4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.740 8.924 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.535 7.193 5.375 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.561 7.428 2.363 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.782 6.540 1.227 1.00 0.00 C ATOM 1510 C PHE A 104 -9.554 6.499 0.321 1.00 0.00 C ATOM 1511 O PHE A 104 -9.271 7.453 -0.402 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.005 6.995 0.427 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.287 6.354 0.876 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.678 5.126 0.366 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.101 6.980 1.806 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.858 4.535 0.777 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.282 6.393 2.221 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.660 5.168 1.705 1.00 0.00 C ATOM 0 H PHE A 104 -10.337 8.390 2.109 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.961 5.536 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.101 8.078 0.510 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.845 6.769 -0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.054 4.626 -0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.810 7.938 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.152 3.578 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.908 6.891 2.947 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.582 4.707 2.027 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.830 5.386 0.369 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.632 5.219 -0.446 1.00 0.00 C ATOM 1530 C VAL A 105 -7.990 4.822 -1.874 1.00 0.00 C ATOM 1531 O VAL A 105 -8.741 3.871 -2.096 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.691 4.155 0.149 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.498 3.925 -0.766 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.234 4.568 1.540 1.00 0.00 C ATOM 0 H VAL A 105 -9.051 4.587 0.963 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.120 6.181 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.239 3.217 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.844 3.170 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.847 3.583 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.946 4.857 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.570 3.805 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.703 5.518 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.102 4.677 2.191 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.449 5.556 -2.840 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.713 5.282 -4.248 1.00 0.00 C ATOM 1546 C TYR A 106 -6.447 4.815 -4.958 1.00 0.00 C ATOM 1547 O TYR A 106 -5.403 5.463 -4.881 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.267 6.531 -4.937 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.562 7.030 -4.336 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.522 6.141 -3.867 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.825 8.391 -4.236 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.706 6.593 -3.317 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -11.006 8.852 -3.685 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.943 7.949 -3.229 1.00 0.00 C ATOM 1555 OH TYR A 106 -13.121 8.404 -2.681 1.00 0.00 O ATOM 0 H TYR A 106 -6.825 6.345 -2.674 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.454 4.485 -4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.522 7.325 -4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.427 6.313 -5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.339 5.079 -3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.094 9.101 -4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.442 5.889 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.194 9.913 -3.612 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.130 9.384 -2.693 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.548 3.686 -5.652 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.412 3.131 -6.378 1.00 0.00 C ATOM 1567 C LEU A 107 -5.564 3.353 -7.880 1.00 0.00 C ATOM 1568 O LEU A 107 -6.090 2.498 -8.593 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.275 1.635 -6.084 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.467 1.219 -4.625 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.928 0.899 -4.349 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.586 0.024 -4.292 1.00 0.00 C ATOM 0 H LEU A 107 -7.405 3.138 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.512 3.646 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.001 1.097 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.286 1.310 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.172 2.052 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.045 0.605 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.537 1.780 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.250 0.082 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.735 -0.259 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.851 -0.814 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.540 0.288 -4.450 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.100 4.505 -8.353 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.183 4.839 -9.769 1.00 0.00 C ATOM 1586 C ARG A 108 -4.055 4.175 -10.552 1.00 0.00 C ATOM 1587 O ARG A 108 -4.290 3.533 -11.576 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.129 6.356 -9.961 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.284 7.095 -9.306 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.564 8.418 -10.000 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.427 8.253 -11.166 1.00 0.00 N ATOM 1592 CZ ARG A 108 -7.693 9.228 -12.027 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -7.166 10.432 -11.855 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -8.489 9.001 -13.065 1.00 0.00 N ATOM 0 H ARG A 108 -4.662 5.223 -7.776 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.134 4.465 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.191 6.732 -9.553 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.125 6.579 -11.028 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.178 6.472 -9.333 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.053 7.275 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.034 9.104 -9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.622 8.872 -10.308 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.849 7.338 -11.328 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.554 10.612 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.373 11.179 -12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.897 8.076 -13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.692 9.751 -13.725 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.829 4.336 -10.064 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.664 3.753 -10.718 1.00 0.00 C ATOM 1610 C GLN A 109 -0.660 3.241 -9.690 1.00 0.00 C ATOM 1611 O GLN A 109 -0.472 3.829 -8.625 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.996 4.783 -11.631 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.276 5.888 -10.875 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.190 7.044 -10.520 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.279 7.183 -11.078 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -0.752 7.882 -9.587 1.00 0.00 N ATOM 0 H GLN A 109 -2.617 4.865 -9.218 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.002 2.909 -11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.283 4.274 -12.280 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.752 5.229 -12.277 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.155 5.477 -9.962 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.552 6.257 -11.480 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.157 7.729 -9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.325 8.678 -9.307 1.00 0.00 H new ATOM 1625 N PRO A 110 0.000 2.120 -10.014 1.00 0.00 N ATOM 1626 CA PRO A 110 0.996 1.504 -9.131 1.00 0.00 C ATOM 1627 C PRO A 110 2.268 2.338 -9.022 1.00 0.00 C ATOM 1628 O PRO A 110 2.286 3.512 -9.391 1.00 0.00 O ATOM 1629 CB PRO A 110 1.292 0.164 -9.810 1.00 0.00 C ATOM 1630 CG PRO A 110 0.969 0.388 -11.247 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.173 1.366 -11.267 1.00 0.00 C ATOM 0 HA PRO A 110 0.630 1.408 -8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.335 -0.124 -9.679 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.685 -0.636 -9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.831 0.784 -11.784 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.691 -0.546 -11.735 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.127 2.019 -12.138 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.137 0.858 -11.300 1.00 0.00 H new ATOM 1639 N TYR A 111 3.330 1.724 -8.512 1.00 0.00 N ATOM 1640 CA TYR A 111 4.606 2.412 -8.352 1.00 0.00 C ATOM 1641 C TYR A 111 5.758 1.546 -8.854 1.00 0.00 C ATOM 1642 O TYR A 111 6.188 0.612 -8.177 1.00 0.00 O ATOM 1643 CB TYR A 111 4.831 2.778 -6.884 1.00 0.00 C ATOM 1644 CG TYR A 111 6.162 3.446 -6.624 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.385 4.765 -7.000 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.198 2.758 -6.004 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.600 5.380 -6.765 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.416 3.364 -5.764 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.612 4.675 -6.146 1.00 0.00 C ATOM 1650 OH TYR A 111 9.825 5.282 -5.911 1.00 0.00 O ATOM 0 H TYR A 111 3.333 0.752 -8.203 1.00 0.00 H new ATOM 0 HA TYR A 111 4.575 3.325 -8.947 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.031 3.442 -6.557 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.763 1.874 -6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.595 5.319 -7.484 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.048 1.731 -5.704 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.757 6.406 -7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.210 2.815 -5.280 1.00 0.00 H new ATOM 0 HH TYR A 111 9.729 5.934 -5.186 1.00 0.00 H new ATOM 1660 N TYR A 112 6.252 1.864 -10.046 1.00 0.00 N ATOM 1661 CA TYR A 112 7.352 1.115 -10.641 1.00 0.00 C ATOM 1662 C TYR A 112 8.698 1.661 -10.173 1.00 0.00 C ATOM 1663 O TYR A 112 9.086 2.775 -10.527 1.00 0.00 O ATOM 1664 CB TYR A 112 7.268 1.172 -12.168 1.00 0.00 C ATOM 1665 CG TYR A 112 5.856 1.089 -12.700 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.054 -0.014 -12.428 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.323 2.110 -13.475 1.00 0.00 C ATOM 1668 CE1 TYR A 112 3.763 -0.094 -12.913 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.033 2.039 -13.963 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.257 0.935 -13.679 1.00 0.00 C ATOM 1671 OH TYR A 112 1.972 0.859 -14.164 1.00 0.00 O ATOM 0 H TYR A 112 5.908 2.635 -10.618 1.00 0.00 H new ATOM 0 HA TYR A 112 7.269 0.077 -10.318 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.724 2.100 -12.514 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.854 0.354 -12.587 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.447 -0.821 -11.828 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.928 2.976 -13.700 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.153 -0.958 -12.693 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.634 2.843 -14.563 1.00 0.00 H new ATOM 0 HH TYR A 112 1.770 1.665 -14.683 1.00 0.00 H new ATOM 1681 N SER A 113 9.407 0.867 -9.378 1.00 0.00 N ATOM 1682 CA SER A 113 10.708 1.270 -8.857 1.00 0.00 C ATOM 1683 C SER A 113 11.716 1.440 -9.990 1.00 0.00 C ATOM 1684 O SER A 113 12.333 2.494 -10.135 1.00 0.00 O ATOM 1685 CB SER A 113 11.222 0.238 -7.852 1.00 0.00 C ATOM 1686 OG SER A 113 12.441 0.660 -7.265 1.00 0.00 O ATOM 0 H SER A 113 9.102 -0.060 -9.080 1.00 0.00 H new ATOM 0 HA SER A 113 10.589 2.228 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.475 0.081 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.368 -0.720 -8.352 1.00 0.00 H new ATOM 0 HG SER A 113 12.747 -0.016 -6.625 1.00 0.00 H new ATOM 1692 N GLY A 114 11.879 0.391 -10.792 1.00 0.00 N ATOM 1693 CA GLY A 114 12.813 0.442 -11.901 1.00 0.00 C ATOM 1694 C GLY A 114 14.107 -0.289 -11.603 1.00 0.00 C ATOM 1695 O GLY A 114 14.624 -0.249 -10.487 1.00 0.00 O ATOM 0 H GLY A 114 11.380 -0.493 -10.693 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.348 0.005 -12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.034 1.483 -12.139 1.00 0.00 H new ATOM 1699 N PRO A 115 14.650 -0.976 -12.619 1.00 0.00 N ATOM 1700 CA PRO A 115 15.898 -1.733 -12.484 1.00 0.00 C ATOM 1701 C PRO A 115 17.112 -0.825 -12.322 1.00 0.00 C ATOM 1702 O PRO A 115 18.185 -1.275 -11.920 1.00 0.00 O ATOM 1703 CB PRO A 115 15.984 -2.511 -13.800 1.00 0.00 C ATOM 1704 CG PRO A 115 15.195 -1.703 -14.771 1.00 0.00 C ATOM 1705 CD PRO A 115 14.087 -1.068 -13.977 1.00 0.00 C ATOM 0 HA PRO A 115 15.897 -2.367 -11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.018 -2.623 -14.127 1.00 0.00 H new ATOM 0 HB3 PRO A 115 15.573 -3.515 -13.694 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.818 -0.945 -15.246 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.795 -2.331 -15.567 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.823 -0.086 -14.370 1.00 0.00 H new ATOM 0 HD3 PRO A 115 13.181 -1.673 -13.996 1.00 0.00 H new ATOM 1713 N SER A 116 16.935 0.454 -12.637 1.00 0.00 N ATOM 1714 CA SER A 116 18.017 1.425 -12.528 1.00 0.00 C ATOM 1715 C SER A 116 18.563 1.474 -11.104 1.00 0.00 C ATOM 1716 O SER A 116 19.773 1.417 -10.888 1.00 0.00 O ATOM 1717 CB SER A 116 17.531 2.812 -12.948 1.00 0.00 C ATOM 1718 OG SER A 116 18.617 3.645 -13.315 1.00 0.00 O ATOM 0 H SER A 116 16.052 0.842 -12.970 1.00 0.00 H new ATOM 0 HA SER A 116 18.820 1.112 -13.195 1.00 0.00 H new ATOM 0 HB2 SER A 116 16.840 2.720 -13.786 1.00 0.00 H new ATOM 0 HB3 SER A 116 16.978 3.270 -12.128 1.00 0.00 H new ATOM 0 HG SER A 116 18.279 4.525 -13.581 1.00 0.00 H new ATOM 1724 N SER A 117 17.659 1.580 -10.134 1.00 0.00 N ATOM 1725 CA SER A 117 18.047 1.642 -8.730 1.00 0.00 C ATOM 1726 C SER A 117 19.204 0.690 -8.445 1.00 0.00 C ATOM 1727 O SER A 117 20.239 1.092 -7.917 1.00 0.00 O ATOM 1728 CB SER A 117 16.855 1.298 -7.835 1.00 0.00 C ATOM 1729 OG SER A 117 16.369 -0.005 -8.109 1.00 0.00 O ATOM 0 H SER A 117 16.653 1.625 -10.296 1.00 0.00 H new ATOM 0 HA SER A 117 18.374 2.659 -8.512 1.00 0.00 H new ATOM 0 HB2 SER A 117 17.151 1.366 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 117 16.059 2.026 -7.989 1.00 0.00 H new ATOM 0 HG SER A 117 15.804 0.018 -8.909 1.00 0.00 H new ATOM 1735 N GLY A 118 19.020 -0.579 -8.800 1.00 0.00 N ATOM 1736 CA GLY A 118 20.056 -1.570 -8.574 1.00 0.00 C ATOM 1737 C GLY A 118 20.127 -2.016 -7.127 1.00 0.00 C ATOM 1738 O GLY A 118 20.564 -3.135 -6.865 1.00 0.00 O ATOM 0 H GLY A 118 18.172 -0.938 -9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 118 19.870 -2.436 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 118 21.020 -1.157 -8.871 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 17.075 8.351 19.005 1.00 0.00 N ATOM 1744 CA MET B 1 16.726 7.497 17.876 1.00 0.00 C ATOM 1745 C MET B 1 15.560 6.578 18.230 1.00 0.00 C ATOM 1746 O MET B 1 15.600 5.868 19.234 1.00 0.00 O ATOM 1747 CB MET B 1 17.934 6.663 17.446 1.00 0.00 C ATOM 1748 CG MET B 1 17.692 5.845 16.187 1.00 0.00 C ATOM 1749 SD MET B 1 18.911 4.537 15.963 1.00 0.00 S ATOM 1750 CE MET B 1 18.146 3.201 16.881 1.00 0.00 C ATOM 0 H1 MET B 1 17.870 8.967 18.741 1.00 0.00 H new ATOM 0 H2 MET B 1 16.255 8.936 19.265 1.00 0.00 H new ATOM 0 H3 MET B 1 17.349 7.760 19.816 1.00 0.00 H new ATOM 0 HA MET B 1 16.423 8.138 17.048 1.00 0.00 H new ATOM 0 HB2 MET B 1 18.783 7.327 17.281 1.00 0.00 H new ATOM 0 HB3 MET B 1 18.209 5.991 18.259 1.00 0.00 H new ATOM 0 HG2 MET B 1 16.696 5.404 16.231 1.00 0.00 H new ATOM 0 HG3 MET B 1 17.710 6.506 15.320 1.00 0.00 H new ATOM 0 HE1 MET B 1 18.783 2.317 16.836 1.00 0.00 H new ATOM 0 HE2 MET B 1 18.015 3.502 17.920 1.00 0.00 H new ATOM 0 HE3 MET B 1 17.174 2.970 16.445 1.00 0.00 H new ATOM 1760 N ASP B 2 14.524 6.598 17.399 1.00 0.00 N ATOM 1761 CA ASP B 2 13.347 5.766 17.625 1.00 0.00 C ATOM 1762 C ASP B 2 13.285 4.626 16.611 1.00 0.00 C ATOM 1763 O ASP B 2 13.516 4.829 15.421 1.00 0.00 O ATOM 1764 CB ASP B 2 12.075 6.611 17.539 1.00 0.00 C ATOM 1765 CG ASP B 2 12.044 7.716 18.576 1.00 0.00 C ATOM 1766 OD1 ASP B 2 11.572 7.459 19.703 1.00 0.00 O ATOM 1767 OD2 ASP B 2 12.491 8.840 18.260 1.00 0.00 O ATOM 0 H ASP B 2 14.475 7.181 16.563 1.00 0.00 H new ATOM 0 HA ASP B 2 13.422 5.337 18.624 1.00 0.00 H new ATOM 0 HB2 ASP B 2 11.999 7.048 16.544 1.00 0.00 H new ATOM 0 HB3 ASP B 2 11.205 5.968 17.671 1.00 0.00 H new ATOM 1772 N ASN B 3 12.972 3.428 17.095 1.00 0.00 N ATOM 1773 CA ASN B 3 12.881 2.257 16.232 1.00 0.00 C ATOM 1774 C ASN B 3 11.967 2.528 15.041 1.00 0.00 C ATOM 1775 O ASN B 3 11.032 3.322 15.132 1.00 0.00 O ATOM 1776 CB ASN B 3 12.364 1.053 17.023 1.00 0.00 C ATOM 1777 CG ASN B 3 13.182 0.789 18.273 1.00 0.00 C ATOM 1778 OD1 ASN B 3 12.800 1.189 19.373 1.00 0.00 O ATOM 1779 ND2 ASN B 3 14.312 0.113 18.108 1.00 0.00 N ATOM 0 H ASN B 3 12.777 3.243 18.079 1.00 0.00 H new ATOM 0 HA ASN B 3 13.880 2.035 15.857 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.324 1.224 17.302 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.382 0.168 16.386 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.904 -0.095 18.912 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.589 -0.199 17.177 1.00 0.00 H new ATOM 1786 N GLN B 4 12.244 1.860 13.925 1.00 0.00 N ATOM 1787 CA GLN B 4 11.446 2.029 12.716 1.00 0.00 C ATOM 1788 C GLN B 4 10.058 1.421 12.891 1.00 0.00 C ATOM 1789 O GLN B 4 9.922 0.266 13.293 1.00 0.00 O ATOM 1790 CB GLN B 4 12.151 1.387 11.521 1.00 0.00 C ATOM 1791 CG GLN B 4 13.508 1.998 11.215 1.00 0.00 C ATOM 1792 CD GLN B 4 13.400 3.382 10.604 1.00 0.00 C ATOM 1793 OE1 GLN B 4 13.113 4.358 11.298 1.00 0.00 O ATOM 1794 NE2 GLN B 4 13.631 3.474 9.300 1.00 0.00 N ATOM 0 H GLN B 4 13.014 1.198 13.833 1.00 0.00 H new ATOM 0 HA GLN B 4 11.334 3.097 12.531 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.277 0.322 11.713 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.514 1.479 10.641 1.00 0.00 H new ATOM 0 HG2 GLN B 4 14.092 2.055 12.133 1.00 0.00 H new ATOM 0 HG3 GLN B 4 14.051 1.345 10.532 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.866 2.639 8.763 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.574 4.380 8.835 1.00 0.00 H new ATOM 1803 N GLY B 5 9.029 2.207 12.585 1.00 0.00 N ATOM 1804 CA GLY B 5 7.666 1.727 12.714 1.00 0.00 C ATOM 1805 C GLY B 5 6.649 2.727 12.199 1.00 0.00 C ATOM 1806 O GLY B 5 6.706 3.910 12.533 1.00 0.00 O ATOM 0 H GLY B 5 9.116 3.167 12.250 1.00 0.00 H new ATOM 0 HA2 GLY B 5 7.560 0.791 12.166 1.00 0.00 H new ATOM 0 HA3 GLY B 5 7.458 1.509 13.762 1.00 0.00 H new ATOM 1810 N VAL B 6 5.717 2.250 11.379 1.00 0.00 N ATOM 1811 CA VAL B 6 4.683 3.109 10.816 1.00 0.00 C ATOM 1812 C VAL B 6 3.292 2.630 11.214 1.00 0.00 C ATOM 1813 O VAL B 6 3.028 1.429 11.259 1.00 0.00 O ATOM 1814 CB VAL B 6 4.775 3.164 9.279 1.00 0.00 C ATOM 1815 CG1 VAL B 6 5.903 4.088 8.844 1.00 0.00 C ATOM 1816 CG2 VAL B 6 4.968 1.768 8.707 1.00 0.00 C ATOM 0 H VAL B 6 5.658 1.274 11.090 1.00 0.00 H new ATOM 0 HA VAL B 6 4.848 4.108 11.219 1.00 0.00 H new ATOM 0 HB VAL B 6 3.839 3.565 8.890 1.00 0.00 H new ATOM 0 HG11 VAL B 6 5.953 4.114 7.755 1.00 0.00 H new ATOM 0 HG12 VAL B 6 5.717 5.093 9.223 1.00 0.00 H new ATOM 0 HG13 VAL B 6 6.849 3.720 9.242 1.00 0.00 H new ATOM 0 HG21 VAL B 6 5.031 1.826 7.620 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.888 1.337 9.101 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.123 1.139 8.989 1.00 0.00 H new ATOM 1826 N ILE B 7 2.406 3.578 11.503 1.00 0.00 N ATOM 1827 CA ILE B 7 1.040 3.252 11.897 1.00 0.00 C ATOM 1828 C ILE B 7 0.250 2.686 10.721 1.00 0.00 C ATOM 1829 O ILE B 7 0.550 2.973 9.562 1.00 0.00 O ATOM 1830 CB ILE B 7 0.304 4.485 12.450 1.00 0.00 C ATOM 1831 CG1 ILE B 7 1.170 5.201 13.488 1.00 0.00 C ATOM 1832 CG2 ILE B 7 -1.031 4.078 13.054 1.00 0.00 C ATOM 1833 CD1 ILE B 7 1.248 4.475 14.813 1.00 0.00 C ATOM 0 H ILE B 7 2.609 4.577 11.472 1.00 0.00 H new ATOM 0 HA ILE B 7 1.109 2.499 12.682 1.00 0.00 H new ATOM 0 HB ILE B 7 0.113 5.175 11.628 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.177 5.321 13.089 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.771 6.202 13.654 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -1.540 4.961 13.441 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -1.649 3.610 12.288 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.862 3.371 13.867 1.00 0.00 H new ATOM 0 HD11 ILE B 7 1.878 5.039 15.501 1.00 0.00 H new ATOM 0 HD12 ILE B 7 0.247 4.378 15.234 1.00 0.00 H new ATOM 0 HD13 ILE B 7 1.675 3.484 14.660 1.00 0.00 H new HETATM 1845 N PTR B 8 -0.762 1.882 11.029 1.00 0.00 N HETATM 1846 CA PTR B 8 -1.595 1.275 9.998 1.00 0.00 C HETATM 1847 C PTR B 8 -3.040 1.753 10.115 1.00 0.00 C HETATM 1848 O PTR B 8 -3.608 1.789 11.206 1.00 0.00 O HETATM 1849 CB PTR B 8 -1.541 -0.250 10.101 1.00 0.00 C HETATM 1850 CG PTR B 8 -0.366 -0.864 9.375 1.00 0.00 C HETATM 1851 CD1 PTR B 8 -0.558 -1.675 8.263 1.00 0.00 C HETATM 1852 CD2 PTR B 8 0.936 -0.636 9.801 1.00 0.00 C HETATM 1853 CE1 PTR B 8 0.511 -2.240 7.597 1.00 0.00 C HETATM 1854 CE2 PTR B 8 2.013 -1.194 9.140 1.00 0.00 C HETATM 1855 CZ PTR B 8 1.796 -1.996 8.039 1.00 0.00 C HETATM 1856 OH PTR B 8 2.865 -2.555 7.378 1.00 0.00 O HETATM 1857 P PTR B 8 4.212 -3.061 8.076 1.00 0.00 P HETATM 1858 O1P PTR B 8 4.973 -3.924 7.145 1.00 0.00 O HETATM 1859 O2P PTR B 8 5.053 -1.903 8.454 1.00 0.00 O HETATM 1860 O3P PTR B 8 3.890 -3.838 9.295 1.00 0.00 O HETATM 0 HE2 PTR B 8 3.028 -1.002 9.486 1.00 0.00 H new HETATM 0 HE1 PTR B 8 0.342 -2.875 6.727 1.00 0.00 H new HETATM 0 HD2 PTR B 8 1.111 -0.005 10.673 1.00 0.00 H new HETATM 0 HD1 PTR B 8 -1.571 -1.868 7.910 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -1.496 -0.533 11.153 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -2.464 -0.666 9.698 1.00 0.00 H new HETATM 0 HA PTR B 8 -1.207 1.580 9.026 1.00 0.00 H new ATOM 1869 N SER B 9 -3.629 2.119 8.980 1.00 0.00 N ATOM 1870 CA SER B 9 -5.006 2.598 8.954 1.00 0.00 C ATOM 1871 C SER B 9 -5.981 1.438 8.776 1.00 0.00 C ATOM 1872 O SER B 9 -6.185 0.949 7.664 1.00 0.00 O ATOM 1873 CB SER B 9 -5.193 3.615 7.827 1.00 0.00 C ATOM 1874 OG SER B 9 -4.642 4.873 8.178 1.00 0.00 O ATOM 0 H SER B 9 -3.174 2.093 8.067 1.00 0.00 H new ATOM 0 HA SER B 9 -5.215 3.082 9.908 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.717 3.247 6.918 1.00 0.00 H new ATOM 0 HB3 SER B 9 -6.255 3.728 7.607 1.00 0.00 H new ATOM 0 HG SER B 9 -4.773 5.505 7.440 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.580 1.003 9.878 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.535 -0.098 9.845 1.00 0.00 C ATOM 1882 C ASP B 10 -8.663 0.188 8.856 1.00 0.00 C ATOM 1883 O ASP B 10 -8.705 1.254 8.241 1.00 0.00 O ATOM 1884 CB ASP B 10 -8.113 -0.344 11.240 1.00 0.00 C ATOM 1885 CG ASP B 10 -7.315 -1.363 12.027 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -7.140 -2.493 11.526 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -6.866 -1.032 13.144 1.00 0.00 O ATOM 0 H ASP B 10 -6.421 1.396 10.806 1.00 0.00 H new ATOM 0 HA ASP B 10 -7.007 -0.993 9.517 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -8.138 0.597 11.790 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -9.143 -0.687 11.148 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.572 -0.769 8.710 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.698 -0.621 7.795 1.00 0.00 C ATOM 1894 C LEU B 11 -11.998 -0.403 8.564 1.00 0.00 C ATOM 1895 O LEU B 11 -11.994 -0.280 9.788 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.821 -1.855 6.900 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.799 -1.968 5.768 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.471 -1.357 6.187 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.615 -3.422 5.360 1.00 0.00 C ATOM 0 H LEU B 11 -9.552 -1.656 9.213 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.515 0.254 7.171 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.739 -2.743 7.527 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.820 -1.864 6.463 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.174 -1.415 4.907 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.755 -1.446 5.370 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.615 -0.304 6.430 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -8.089 -1.882 7.062 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.884 -3.484 4.553 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -9.261 -3.998 6.215 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -10.567 -3.827 5.019 1.00 0.00 H new ATOM 1911 N ASN B 12 -13.109 -0.361 7.837 1.00 0.00 N ATOM 1912 CA ASN B 12 -14.417 -0.162 8.450 1.00 0.00 C ATOM 1913 C ASN B 12 -14.945 -1.465 9.041 1.00 0.00 C ATOM 1914 O ASN B 12 -15.307 -1.525 10.218 1.00 0.00 O ATOM 1915 CB ASN B 12 -15.410 0.384 7.420 1.00 0.00 C ATOM 1916 CG ASN B 12 -16.040 -0.716 6.588 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -15.298 -1.216 5.608 1.00 0.00 O flip ATOM 1918 ND2 ASN B 12 -17.183 -1.109 6.823 1.00 0.00 N flip ATOM 0 H ASN B 12 -13.130 -0.462 6.822 1.00 0.00 H new ATOM 0 HA ASN B 12 -14.305 0.563 9.256 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -16.193 0.942 7.934 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.898 1.086 6.762 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.717 -0.696 7.587 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -17.595 -1.848 6.254 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.988 -2.507 8.219 1.00 0.00 N ATOM 1926 CA LEU B 13 -15.471 -3.811 8.659 1.00 0.00 C ATOM 1927 C LEU B 13 -14.921 -4.157 10.040 1.00 0.00 C ATOM 1928 O LEU B 13 -15.661 -4.507 10.959 1.00 0.00 O ATOM 1929 CB LEU B 13 -15.071 -4.891 7.653 1.00 0.00 C ATOM 1930 CG LEU B 13 -14.852 -4.421 6.215 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -13.403 -4.008 6.004 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -15.245 -5.513 5.231 1.00 0.00 C ATOM 0 H LEU B 13 -14.694 -2.474 7.243 1.00 0.00 H new ATOM 0 HA LEU B 13 -16.558 -3.767 8.721 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -14.153 -5.363 8.003 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.844 -5.660 7.649 1.00 0.00 H new ATOM 0 HG LEU B 13 -15.486 -3.553 6.036 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -13.265 -3.676 4.975 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -13.154 -3.193 6.684 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -12.750 -4.858 6.202 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -15.082 -5.161 4.212 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -14.637 -6.400 5.410 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -16.298 -5.762 5.365 1.00 0.00 H new ATOM 1944 N PRO B 14 -13.592 -4.055 10.191 1.00 0.00 N ATOM 1945 CA PRO B 14 -12.914 -4.351 11.456 1.00 0.00 C ATOM 1946 C PRO B 14 -13.215 -3.311 12.531 1.00 0.00 C ATOM 1947 O PRO B 14 -12.779 -2.163 12.457 1.00 0.00 O ATOM 1948 CB PRO B 14 -11.432 -4.318 11.081 1.00 0.00 C ATOM 1949 CG PRO B 14 -11.363 -3.430 9.886 1.00 0.00 C ATOM 1950 CD PRO B 14 -12.650 -3.643 9.138 1.00 0.00 C ATOM 0 HA PRO B 14 -13.239 -5.301 11.880 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -10.825 -3.929 11.899 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -11.059 -5.317 10.854 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -11.251 -2.387 10.181 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -10.504 -3.679 9.263 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -12.980 -2.732 8.638 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -12.546 -4.409 8.370 1.00 0.00 H new ATOM 1958 N PRO B 15 -13.977 -3.722 13.555 1.00 0.00 N ATOM 1959 CA PRO B 15 -14.351 -2.841 14.666 1.00 0.00 C ATOM 1960 C PRO B 15 -13.165 -2.498 15.559 1.00 0.00 C ATOM 1961 O PRO B 15 -12.516 -1.468 15.376 1.00 0.00 O ATOM 1962 CB PRO B 15 -15.383 -3.666 15.441 1.00 0.00 C ATOM 1963 CG PRO B 15 -15.052 -5.083 15.119 1.00 0.00 C ATOM 1964 CD PRO B 15 -14.532 -5.077 13.709 1.00 0.00 C ATOM 0 HA PRO B 15 -14.729 -1.881 14.315 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.317 -3.477 16.513 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -16.399 -3.417 15.135 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -14.305 -5.476 15.809 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -15.933 -5.719 15.207 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -13.771 -5.842 13.558 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -15.326 -5.270 12.987 1.00 0.00 H new TER 1972 PRO B 15