USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot -3:sc= -0.992 USER MOD Set 1.2: A 97 MET CE :methyl 141:sc= -2.85 (180deg=-6.14!) USER MOD Single : A 3 HIS : no HE2:sc= -2.07 K(o=-2.1,f=-2.9!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 137:sc= 0.48 (180deg=-0.112) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.43) USER MOD Single : A 23 SER OG : rot 46:sc= 0.194 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 31 SER OG : rot -136:sc= -0.0582 USER MOD Single : A 32 THR OG1 : rot 112:sc= -0.255 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.53 X(o=-0.53,f=-0.37) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 110:sc= -7.83! USER MOD Single : A 44 THR OG1 : rot -32:sc= 0.0567 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.51! C(o=-5.5!,f=-4.2!) USER MOD Single : A 58 MET CE :methyl -134:sc= -4.37 (180deg=-9.09!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= 0.107 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -7.9! C(o=-7.9!,f=-7.1!) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 98:sc= 0.00374 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.9!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 99 ASN : amide:sc= -1.54 K(o=-1.5,f=-1) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -165:sc= -3.52! (180deg=-4.31!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.11) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -81:sc= 0.803 USER MOD Single : A 111 TYR OH : rot 114:sc= -3.76! USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= -0.434 (180deg=-1.83) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -2.943 -13.415 -6.578 1.00 0.00 N ATOM 29 CA HIS A 3 -2.449 -12.293 -7.368 1.00 0.00 C ATOM 30 C HIS A 3 -3.569 -11.302 -7.682 1.00 0.00 C ATOM 31 O HIS A 3 -3.405 -10.420 -8.524 1.00 0.00 O ATOM 32 CB HIS A 3 -1.822 -12.800 -8.667 1.00 0.00 C ATOM 33 CG HIS A 3 -0.451 -13.370 -8.482 1.00 0.00 C ATOM 34 ND1 HIS A 3 0.040 -14.415 -9.236 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.536 -13.035 -7.617 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.269 -14.699 -8.843 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.593 -13.876 -7.862 1.00 0.00 N ATOM 0 HA HIS A 3 -1.691 -11.775 -6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.469 -13.563 -9.101 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.773 -11.979 -9.383 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -0.466 -14.894 -9.981 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.498 -12.253 -6.874 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.901 -15.472 -9.254 1.00 0.00 H new ATOM 46 N SER A 4 -4.706 -11.446 -7.002 1.00 0.00 N ATOM 47 CA SER A 4 -5.836 -10.551 -7.220 1.00 0.00 C ATOM 48 C SER A 4 -6.756 -10.507 -6.006 1.00 0.00 C ATOM 49 O SER A 4 -6.838 -11.462 -5.233 1.00 0.00 O ATOM 50 CB SER A 4 -6.628 -10.967 -8.460 1.00 0.00 C ATOM 51 OG SER A 4 -7.027 -12.325 -8.381 1.00 0.00 O ATOM 0 H SER A 4 -4.866 -12.169 -6.301 1.00 0.00 H new ATOM 0 HA SER A 4 -5.432 -9.551 -7.378 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.508 -10.332 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.019 -10.815 -9.351 1.00 0.00 H new ATOM 0 HG SER A 4 -7.533 -12.565 -9.185 1.00 0.00 H new ATOM 57 N GLY A 5 -7.445 -9.383 -5.853 1.00 0.00 N ATOM 58 CA GLY A 5 -8.358 -9.198 -4.745 1.00 0.00 C ATOM 59 C GLY A 5 -9.099 -7.889 -4.878 1.00 0.00 C ATOM 60 O GLY A 5 -8.880 -7.159 -5.836 1.00 0.00 O ATOM 0 H GLY A 5 -7.385 -8.587 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.070 -10.023 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.806 -9.215 -3.805 1.00 0.00 H new ATOM 64 N ALA A 6 -9.974 -7.579 -3.937 1.00 0.00 N ATOM 65 CA ALA A 6 -10.721 -6.329 -4.003 1.00 0.00 C ATOM 66 C ALA A 6 -10.463 -5.460 -2.778 1.00 0.00 C ATOM 67 O ALA A 6 -10.550 -5.927 -1.642 1.00 0.00 O ATOM 68 CB ALA A 6 -12.198 -6.613 -4.196 1.00 0.00 C ATOM 0 H ALA A 6 -10.185 -8.164 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.372 -5.762 -4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.746 -5.672 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.344 -7.166 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.567 -7.206 -3.359 1.00 0.00 H new ATOM 74 N ALA A 7 -10.120 -4.197 -3.022 1.00 0.00 N ATOM 75 CA ALA A 7 -9.819 -3.261 -1.944 1.00 0.00 C ATOM 76 C ALA A 7 -10.358 -1.863 -2.237 1.00 0.00 C ATOM 77 O ALA A 7 -10.820 -1.581 -3.343 1.00 0.00 O ATOM 78 CB ALA A 7 -8.319 -3.207 -1.721 1.00 0.00 C ATOM 0 H ALA A 7 -10.044 -3.799 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.314 -3.618 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.096 -2.507 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.955 -4.199 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.827 -2.876 -2.636 1.00 0.00 H new ATOM 84 N ILE A 8 -10.292 -0.989 -1.233 1.00 0.00 N ATOM 85 CA ILE A 8 -10.769 0.386 -1.375 1.00 0.00 C ATOM 86 C ILE A 8 -9.607 1.347 -1.609 1.00 0.00 C ATOM 87 O ILE A 8 -8.697 1.438 -0.787 1.00 0.00 O ATOM 88 CB ILE A 8 -11.543 0.860 -0.119 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.746 -0.050 0.202 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.005 2.302 -0.294 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.035 -1.123 -0.828 1.00 0.00 C ATOM 0 H ILE A 8 -9.913 -1.209 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.439 0.391 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.856 0.801 0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.571 -0.530 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.633 0.573 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.547 2.621 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.138 2.946 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.660 2.371 -1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.898 -1.709 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.247 -0.656 -1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.168 -1.777 -0.925 1.00 0.00 H new ATOM 103 N PHE A 9 -9.645 2.070 -2.724 1.00 0.00 N ATOM 104 CA PHE A 9 -8.588 3.025 -3.036 1.00 0.00 C ATOM 105 C PHE A 9 -9.129 4.447 -3.175 1.00 0.00 C ATOM 106 O PHE A 9 -9.757 4.792 -4.176 1.00 0.00 O ATOM 107 CB PHE A 9 -7.859 2.625 -4.320 1.00 0.00 C ATOM 108 CG PHE A 9 -6.466 3.190 -4.430 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.080 4.291 -3.679 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.542 2.613 -5.285 1.00 0.00 C ATOM 111 CE1 PHE A 9 -4.800 4.804 -3.781 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.261 3.121 -5.390 1.00 0.00 C ATOM 113 CZ PHE A 9 -3.890 4.217 -4.638 1.00 0.00 C ATOM 0 H PHE A 9 -10.388 2.014 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.887 3.008 -2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.805 1.538 -4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.444 2.957 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.788 4.753 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.826 1.755 -5.877 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.512 5.662 -3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.551 2.660 -6.060 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.889 4.615 -4.720 1.00 0.00 H new ATOM 123 N GLU A 10 -8.854 5.270 -2.165 1.00 0.00 N ATOM 124 CA GLU A 10 -9.278 6.670 -2.159 1.00 0.00 C ATOM 125 C GLU A 10 -10.791 6.796 -2.042 1.00 0.00 C ATOM 126 O GLU A 10 -11.435 7.475 -2.843 1.00 0.00 O ATOM 127 CB GLU A 10 -8.781 7.386 -3.420 1.00 0.00 C ATOM 128 CG GLU A 10 -7.490 8.162 -3.209 1.00 0.00 C ATOM 129 CD GLU A 10 -7.709 9.663 -3.185 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.810 10.096 -2.783 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.780 10.404 -3.569 1.00 0.00 O ATOM 0 H GLU A 10 -8.335 4.989 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.835 7.145 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.628 6.650 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.554 8.071 -3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.032 7.850 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.787 7.914 -4.004 1.00 0.00 H new ATOM 138 N LYS A 11 -11.354 6.143 -1.033 1.00 0.00 N ATOM 139 CA LYS A 11 -12.793 6.183 -0.795 1.00 0.00 C ATOM 140 C LYS A 11 -13.568 5.395 -1.851 1.00 0.00 C ATOM 141 O LYS A 11 -14.787 5.255 -1.747 1.00 0.00 O ATOM 142 CB LYS A 11 -13.290 7.631 -0.760 1.00 0.00 C ATOM 143 CG LYS A 11 -12.421 8.552 0.083 1.00 0.00 C ATOM 144 CD LYS A 11 -11.843 9.691 -0.743 1.00 0.00 C ATOM 145 CE LYS A 11 -10.414 10.007 -0.331 1.00 0.00 C ATOM 146 NZ LYS A 11 -10.057 11.425 -0.612 1.00 0.00 N ATOM 0 H LYS A 11 -10.834 5.577 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.973 5.714 0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.332 8.017 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.308 7.648 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.012 8.960 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.609 7.978 0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.868 9.425 -1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.463 10.580 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.290 9.805 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.728 9.347 -0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.531 11.817 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.466 11.471 -1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.925 11.978 -0.761 1.00 0.00 H new ATOM 160 N VAL A 12 -12.872 4.871 -2.860 1.00 0.00 N ATOM 161 CA VAL A 12 -13.534 4.099 -3.900 1.00 0.00 C ATOM 162 C VAL A 12 -13.291 2.622 -3.699 1.00 0.00 C ATOM 163 O VAL A 12 -12.247 2.210 -3.196 1.00 0.00 O ATOM 164 CB VAL A 12 -13.071 4.514 -5.310 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.459 3.469 -6.354 1.00 0.00 C ATOM 166 CG2 VAL A 12 -13.678 5.852 -5.657 1.00 0.00 C ATOM 0 H VAL A 12 -11.863 4.967 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.601 4.306 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.984 4.590 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.118 3.793 -7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.994 2.515 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.543 3.352 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.354 6.151 -6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.765 5.775 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.354 6.598 -4.931 1.00 0.00 H new ATOM 176 N SER A 13 -14.265 1.829 -4.098 1.00 0.00 N ATOM 177 CA SER A 13 -14.161 0.387 -3.962 1.00 0.00 C ATOM 178 C SER A 13 -14.137 -0.290 -5.322 1.00 0.00 C ATOM 179 O SER A 13 -15.121 -0.267 -6.061 1.00 0.00 O ATOM 180 CB SER A 13 -15.312 -0.161 -3.125 1.00 0.00 C ATOM 181 OG SER A 13 -15.694 0.755 -2.115 1.00 0.00 O ATOM 0 H SER A 13 -15.135 2.156 -4.518 1.00 0.00 H new ATOM 0 HA SER A 13 -13.222 0.169 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.165 -0.372 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.016 -1.106 -2.669 1.00 0.00 H new ATOM 0 HG SER A 13 -16.435 0.379 -1.595 1.00 0.00 H new ATOM 187 N GLY A 14 -13.004 -0.897 -5.638 1.00 0.00 N ATOM 188 CA GLY A 14 -12.858 -1.582 -6.903 1.00 0.00 C ATOM 189 C GLY A 14 -12.236 -2.948 -6.736 1.00 0.00 C ATOM 190 O GLY A 14 -12.755 -3.791 -6.004 1.00 0.00 O ATOM 0 H GLY A 14 -12.180 -0.927 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.835 -1.683 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.241 -0.982 -7.572 1.00 0.00 H new ATOM 194 N ILE A 15 -11.118 -3.162 -7.411 1.00 0.00 N ATOM 195 CA ILE A 15 -10.411 -4.426 -7.340 1.00 0.00 C ATOM 196 C ILE A 15 -8.913 -4.214 -7.336 1.00 0.00 C ATOM 197 O ILE A 15 -8.384 -3.453 -8.142 1.00 0.00 O ATOM 198 CB ILE A 15 -10.741 -5.343 -8.537 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.249 -5.365 -8.810 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.206 -6.752 -8.294 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.072 -5.920 -7.668 1.00 0.00 C ATOM 0 H ILE A 15 -10.680 -2.469 -8.018 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.737 -4.897 -6.413 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.250 -4.941 -9.423 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.584 -4.350 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.438 -5.960 -9.703 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.448 -7.385 -9.148 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.124 -6.713 -8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.664 -7.165 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.128 -5.902 -7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.767 -6.946 -7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.915 -5.312 -6.777 1.00 0.00 H new ATOM 213 N ILE A 16 -8.230 -4.943 -6.477 1.00 0.00 N ATOM 214 CA ILE A 16 -6.787 -4.889 -6.425 1.00 0.00 C ATOM 215 C ILE A 16 -6.290 -6.111 -7.162 1.00 0.00 C ATOM 216 O ILE A 16 -6.895 -7.177 -7.073 1.00 0.00 O ATOM 217 CB ILE A 16 -6.234 -4.892 -4.974 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.821 -3.479 -4.552 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.055 -5.853 -4.840 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.053 -3.427 -3.247 1.00 0.00 C ATOM 0 H ILE A 16 -8.655 -5.581 -5.804 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.443 -3.958 -6.876 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.029 -5.234 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.209 -3.040 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.715 -2.862 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.687 -5.836 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.378 -6.863 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.257 -5.547 -5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.797 -2.393 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.669 -3.835 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.140 -4.015 -3.338 1.00 0.00 H new ATOM 232 N ALA A 17 -5.222 -5.977 -7.907 1.00 0.00 N ATOM 233 CA ALA A 17 -4.730 -7.111 -8.649 1.00 0.00 C ATOM 234 C ALA A 17 -3.234 -7.031 -8.859 1.00 0.00 C ATOM 235 O ALA A 17 -2.719 -6.121 -9.508 1.00 0.00 O ATOM 236 CB ALA A 17 -5.500 -7.242 -9.950 1.00 0.00 C ATOM 0 H ALA A 17 -4.687 -5.116 -8.016 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.899 -8.018 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.126 -8.100 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.559 -7.383 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.369 -6.337 -10.543 1.00 0.00 H new ATOM 242 N ILE A 18 -2.548 -7.992 -8.268 1.00 0.00 N ATOM 243 CA ILE A 18 -1.101 -8.068 -8.327 1.00 0.00 C ATOM 244 C ILE A 18 -0.621 -8.813 -9.566 1.00 0.00 C ATOM 245 O ILE A 18 -1.106 -9.900 -9.881 1.00 0.00 O ATOM 246 CB ILE A 18 -0.547 -8.755 -7.066 1.00 0.00 C ATOM 247 CG1 ILE A 18 -1.049 -8.035 -5.812 1.00 0.00 C ATOM 248 CG2 ILE A 18 0.971 -8.788 -7.098 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.495 -8.971 -4.711 1.00 0.00 C ATOM 0 H ILE A 18 -2.981 -8.744 -7.732 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.727 -7.046 -8.381 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.905 -9.784 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.256 -7.392 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.882 -7.386 -6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.343 -9.277 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.304 -9.341 -7.976 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.356 -7.769 -7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.837 -8.389 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.310 -9.597 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.659 -9.602 -4.410 1.00 0.00 H new ATOM 261 N ASN A 19 0.346 -8.219 -10.255 1.00 0.00 N ATOM 262 CA ASN A 19 0.911 -8.819 -11.453 1.00 0.00 C ATOM 263 C ASN A 19 2.344 -9.268 -11.193 1.00 0.00 C ATOM 264 O ASN A 19 3.284 -8.491 -11.337 1.00 0.00 O ATOM 265 CB ASN A 19 0.876 -7.826 -12.616 1.00 0.00 C ATOM 266 CG ASN A 19 0.543 -8.494 -13.936 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.582 -8.399 -14.427 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.524 -9.173 -14.519 1.00 0.00 N ATOM 0 H ASN A 19 0.755 -7.320 -10.002 1.00 0.00 H new ATOM 0 HA ASN A 19 0.311 -9.689 -11.719 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.138 -7.052 -12.407 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.843 -7.330 -12.696 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.360 -9.642 -15.410 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.441 -9.225 -14.076 1.00 0.00 H new ATOM 275 N GLU A 20 2.500 -10.525 -10.802 1.00 0.00 N ATOM 276 CA GLU A 20 3.819 -11.082 -10.516 1.00 0.00 C ATOM 277 C GLU A 20 4.536 -11.511 -11.796 1.00 0.00 C ATOM 278 O GLU A 20 5.659 -12.012 -11.747 1.00 0.00 O ATOM 279 CB GLU A 20 3.690 -12.275 -9.566 1.00 0.00 C ATOM 280 CG GLU A 20 4.726 -12.281 -8.456 1.00 0.00 C ATOM 281 CD GLU A 20 6.095 -12.721 -8.938 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.229 -13.890 -9.356 1.00 0.00 O ATOM 283 OE2 GLU A 20 7.032 -11.897 -8.896 1.00 0.00 O ATOM 0 H GLU A 20 1.729 -11.181 -10.675 1.00 0.00 H new ATOM 0 HA GLU A 20 4.415 -10.302 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.694 -12.270 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.779 -13.197 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.800 -11.281 -8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.395 -12.946 -7.658 1.00 0.00 H new ATOM 290 N ASP A 21 3.886 -11.313 -12.940 1.00 0.00 N ATOM 291 CA ASP A 21 4.470 -11.681 -14.224 1.00 0.00 C ATOM 292 C ASP A 21 5.420 -10.598 -14.731 1.00 0.00 C ATOM 293 O ASP A 21 5.998 -10.728 -15.811 1.00 0.00 O ATOM 294 CB ASP A 21 3.368 -11.925 -15.252 1.00 0.00 C ATOM 295 CG ASP A 21 2.561 -13.172 -14.953 1.00 0.00 C ATOM 296 OD1 ASP A 21 3.175 -14.231 -14.702 1.00 0.00 O ATOM 297 OD2 ASP A 21 1.314 -13.092 -14.969 1.00 0.00 O ATOM 0 H ASP A 21 2.955 -10.900 -13.003 1.00 0.00 H new ATOM 0 HA ASP A 21 5.042 -12.598 -14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.702 -11.063 -15.277 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.813 -12.013 -16.243 1.00 0.00 H new ATOM 302 N VAL A 22 5.580 -9.530 -13.953 1.00 0.00 N ATOM 303 CA VAL A 22 6.463 -8.434 -14.338 1.00 0.00 C ATOM 304 C VAL A 22 7.788 -8.514 -13.587 1.00 0.00 C ATOM 305 O VAL A 22 8.134 -9.553 -13.025 1.00 0.00 O ATOM 306 CB VAL A 22 5.826 -7.043 -14.105 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.614 -6.318 -15.426 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.527 -7.172 -13.358 1.00 0.00 C ATOM 0 H VAL A 22 5.112 -9.401 -13.056 1.00 0.00 H new ATOM 0 HA VAL A 22 6.638 -8.546 -15.408 1.00 0.00 H new ATOM 0 HB VAL A 22 6.513 -6.453 -13.499 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.165 -5.343 -15.238 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.573 -6.186 -15.926 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.951 -6.906 -16.061 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.096 -6.183 -13.205 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.834 -7.784 -13.936 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.708 -7.643 -12.392 1.00 0.00 H new ATOM 318 N SER A 23 8.522 -7.409 -13.579 1.00 0.00 N ATOM 319 CA SER A 23 9.806 -7.343 -12.896 1.00 0.00 C ATOM 320 C SER A 23 10.360 -5.921 -12.944 1.00 0.00 C ATOM 321 O SER A 23 10.894 -5.493 -13.968 1.00 0.00 O ATOM 322 CB SER A 23 10.799 -8.314 -13.532 1.00 0.00 C ATOM 323 OG SER A 23 10.787 -8.206 -14.945 1.00 0.00 O ATOM 0 H SER A 23 8.247 -6.542 -14.041 1.00 0.00 H new ATOM 0 HA SER A 23 9.657 -7.627 -11.854 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.802 -8.110 -13.157 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.551 -9.335 -13.240 1.00 0.00 H new ATOM 0 HG SER A 23 10.800 -7.260 -15.201 1.00 0.00 H new ATOM 329 N PRO A 24 10.235 -5.158 -11.841 1.00 0.00 N ATOM 330 CA PRO A 24 9.606 -5.623 -10.598 1.00 0.00 C ATOM 331 C PRO A 24 8.099 -5.816 -10.741 1.00 0.00 C ATOM 332 O PRO A 24 7.493 -5.356 -11.708 1.00 0.00 O ATOM 333 CB PRO A 24 9.900 -4.504 -9.588 1.00 0.00 C ATOM 334 CG PRO A 24 10.896 -3.605 -10.247 1.00 0.00 C ATOM 335 CD PRO A 24 10.712 -3.776 -11.726 1.00 0.00 C ATOM 0 HA PRO A 24 9.996 -6.596 -10.299 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.991 -3.959 -9.334 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.298 -4.912 -8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.736 -2.568 -9.954 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.911 -3.867 -9.950 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.990 -3.065 -12.128 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.645 -3.624 -12.269 1.00 0.00 H new ATOM 343 N ALA A 25 7.501 -6.495 -9.765 1.00 0.00 N ATOM 344 CA ALA A 25 6.061 -6.746 -9.779 1.00 0.00 C ATOM 345 C ALA A 25 5.278 -5.445 -9.759 1.00 0.00 C ATOM 346 O ALA A 25 5.852 -4.360 -9.659 1.00 0.00 O ATOM 347 CB ALA A 25 5.651 -7.597 -8.590 1.00 0.00 C ATOM 0 H ALA A 25 7.989 -6.880 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 25 5.833 -7.281 -10.701 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.575 -7.771 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.175 -8.552 -8.629 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.908 -7.079 -7.666 1.00 0.00 H new ATOM 353 N GLU A 26 3.958 -5.562 -9.839 1.00 0.00 N ATOM 354 CA GLU A 26 3.098 -4.390 -9.815 1.00 0.00 C ATOM 355 C GLU A 26 1.652 -4.772 -9.520 1.00 0.00 C ATOM 356 O GLU A 26 1.120 -5.718 -10.101 1.00 0.00 O ATOM 357 CB GLU A 26 3.179 -3.641 -11.146 1.00 0.00 C ATOM 358 CG GLU A 26 2.662 -4.445 -12.328 1.00 0.00 C ATOM 359 CD GLU A 26 1.260 -4.039 -12.739 1.00 0.00 C ATOM 360 OE1 GLU A 26 1.115 -2.988 -13.397 1.00 0.00 O ATOM 361 OE2 GLU A 26 0.307 -4.774 -12.404 1.00 0.00 O ATOM 0 H GLU A 26 3.464 -6.451 -9.920 1.00 0.00 H new ATOM 0 HA GLU A 26 3.448 -3.737 -9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.608 -2.716 -11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.216 -3.361 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.337 -4.315 -13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.670 -5.505 -12.073 1.00 0.00 H new ATOM 368 N LEU A 27 1.014 -4.018 -8.630 1.00 0.00 N ATOM 369 CA LEU A 27 -0.378 -4.269 -8.283 1.00 0.00 C ATOM 370 C LEU A 27 -1.256 -3.173 -8.880 1.00 0.00 C ATOM 371 O LEU A 27 -0.969 -1.986 -8.728 1.00 0.00 O ATOM 372 CB LEU A 27 -0.557 -4.372 -6.753 1.00 0.00 C ATOM 373 CG LEU A 27 -0.869 -3.067 -6.005 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.242 -2.516 -6.362 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.783 -3.303 -4.511 1.00 0.00 C ATOM 0 H LEU A 27 1.438 -3.231 -8.138 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.685 -5.227 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.361 -5.080 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.354 -4.796 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.130 -2.326 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.419 -1.593 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.285 -2.312 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.007 -3.247 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.005 -2.376 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.504 -4.067 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.222 -3.636 -4.253 1.00 0.00 H new ATOM 387 N THR A 28 -2.310 -3.573 -9.582 1.00 0.00 N ATOM 388 CA THR A 28 -3.206 -2.618 -10.225 1.00 0.00 C ATOM 389 C THR A 28 -4.597 -2.626 -9.603 1.00 0.00 C ATOM 390 O THR A 28 -5.360 -3.577 -9.775 1.00 0.00 O ATOM 391 CB THR A 28 -3.314 -2.933 -11.718 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.122 -3.535 -12.191 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.583 -1.713 -12.571 1.00 0.00 C ATOM 0 H THR A 28 -2.565 -4.551 -9.721 1.00 0.00 H new ATOM 0 HA THR A 28 -2.782 -1.624 -10.079 1.00 0.00 H new ATOM 0 HB THR A 28 -4.162 -3.612 -11.808 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.211 -3.730 -13.147 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.648 -2.008 -13.618 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.523 -1.255 -12.264 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.772 -0.996 -12.446 1.00 0.00 H new ATOM 401 N TRP A 29 -4.936 -1.545 -8.904 1.00 0.00 N ATOM 402 CA TRP A 29 -6.236 -1.414 -8.291 1.00 0.00 C ATOM 403 C TRP A 29 -7.184 -0.714 -9.251 1.00 0.00 C ATOM 404 O TRP A 29 -7.001 0.459 -9.563 1.00 0.00 O ATOM 405 CB TRP A 29 -6.142 -0.603 -7.003 1.00 0.00 C ATOM 406 CG TRP A 29 -7.484 -0.280 -6.433 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.185 -1.039 -5.558 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.296 0.865 -6.719 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.386 -0.437 -5.259 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.476 0.736 -5.963 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.138 1.990 -7.536 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.491 1.687 -5.998 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.149 2.932 -7.572 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.310 2.777 -6.807 1.00 0.00 C ATOM 0 H TRP A 29 -4.317 -0.748 -8.753 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.610 -2.411 -8.057 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.563 -1.161 -6.267 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.601 0.323 -7.199 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.850 -1.982 -5.153 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.092 -0.803 -4.620 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.243 2.120 -8.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.389 1.570 -5.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.041 3.803 -8.202 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.080 3.533 -6.855 1.00 0.00 H new ATOM 425 N ARG A 30 -8.190 -1.435 -9.716 1.00 0.00 N ATOM 426 CA ARG A 30 -9.160 -0.867 -10.647 1.00 0.00 C ATOM 427 C ARG A 30 -10.542 -0.783 -10.009 1.00 0.00 C ATOM 428 O ARG A 30 -11.002 -1.732 -9.384 1.00 0.00 O ATOM 429 CB ARG A 30 -9.225 -1.705 -11.924 1.00 0.00 C ATOM 430 CG ARG A 30 -9.669 -3.138 -11.686 1.00 0.00 C ATOM 431 CD ARG A 30 -9.011 -4.096 -12.664 1.00 0.00 C ATOM 432 NE ARG A 30 -9.764 -4.210 -13.911 1.00 0.00 N ATOM 433 CZ ARG A 30 -10.859 -4.952 -14.051 1.00 0.00 C ATOM 434 NH1 ARG A 30 -11.334 -5.646 -13.023 1.00 0.00 N ATOM 435 NH2 ARG A 30 -11.484 -5.000 -15.219 1.00 0.00 N ATOM 0 H ARG A 30 -8.359 -2.410 -9.468 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.835 0.142 -10.900 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.912 -1.232 -12.625 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.242 -1.711 -12.396 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.422 -3.432 -10.666 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.753 -3.205 -11.783 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.999 -3.753 -12.882 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.922 -5.080 -12.203 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.430 -3.690 -14.722 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.859 -5.611 -12.121 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.174 -6.214 -13.135 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.125 -4.468 -16.012 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.324 -5.569 -15.325 1.00 0.00 H new ATOM 449 N SER A 31 -11.207 0.358 -10.178 1.00 0.00 N ATOM 450 CA SER A 31 -12.541 0.551 -9.614 1.00 0.00 C ATOM 451 C SER A 31 -13.447 -0.624 -9.972 1.00 0.00 C ATOM 452 O SER A 31 -13.097 -1.449 -10.817 1.00 0.00 O ATOM 453 CB SER A 31 -13.149 1.857 -10.130 1.00 0.00 C ATOM 454 OG SER A 31 -13.796 2.565 -9.088 1.00 0.00 O ATOM 0 H SER A 31 -10.847 1.158 -10.698 1.00 0.00 H new ATOM 0 HA SER A 31 -12.453 0.606 -8.529 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.367 2.479 -10.565 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.863 1.640 -10.925 1.00 0.00 H new ATOM 0 HG SER A 31 -14.662 2.896 -9.406 1.00 0.00 H new ATOM 460 N THR A 32 -14.610 -0.699 -9.335 1.00 0.00 N ATOM 461 CA THR A 32 -15.549 -1.778 -9.604 1.00 0.00 C ATOM 462 C THR A 32 -16.274 -1.518 -10.912 1.00 0.00 C ATOM 463 O THR A 32 -16.519 -2.430 -11.700 1.00 0.00 O ATOM 464 CB THR A 32 -16.557 -1.913 -8.459 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.909 -2.291 -7.258 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.637 -2.934 -8.735 1.00 0.00 C ATOM 0 H THR A 32 -14.923 -0.029 -8.633 1.00 0.00 H new ATOM 0 HA THR A 32 -14.993 -2.712 -9.684 1.00 0.00 H new ATOM 0 HB THR A 32 -17.019 -0.930 -8.365 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.953 -1.552 -6.616 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.318 -2.981 -7.886 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.190 -2.646 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.182 -3.912 -8.890 1.00 0.00 H new ATOM 474 N ASP A 33 -16.602 -0.258 -11.128 1.00 0.00 N ATOM 475 CA ASP A 33 -17.294 0.158 -12.337 1.00 0.00 C ATOM 476 C ASP A 33 -16.309 0.410 -13.478 1.00 0.00 C ATOM 477 O ASP A 33 -16.702 0.501 -14.640 1.00 0.00 O ATOM 478 CB ASP A 33 -18.119 1.420 -12.071 1.00 0.00 C ATOM 479 CG ASP A 33 -19.430 1.424 -12.832 1.00 0.00 C ATOM 480 OD1 ASP A 33 -19.422 1.079 -14.032 1.00 0.00 O ATOM 481 OD2 ASP A 33 -20.466 1.771 -12.227 1.00 0.00 O ATOM 0 H ASP A 33 -16.399 0.501 -10.478 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.962 -0.650 -12.634 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.322 1.500 -11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.536 2.298 -12.351 1.00 0.00 H new ATOM 486 N GLY A 34 -15.026 0.521 -13.139 1.00 0.00 N ATOM 487 CA GLY A 34 -14.011 0.761 -14.147 1.00 0.00 C ATOM 488 C GLY A 34 -13.825 2.237 -14.439 1.00 0.00 C ATOM 489 O GLY A 34 -13.544 2.621 -15.574 1.00 0.00 O ATOM 0 H GLY A 34 -14.674 0.449 -12.185 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.064 0.337 -13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.286 0.243 -15.066 1.00 0.00 H new ATOM 493 N ASP A 35 -13.988 3.065 -13.413 1.00 0.00 N ATOM 494 CA ASP A 35 -13.841 4.508 -13.566 1.00 0.00 C ATOM 495 C ASP A 35 -12.379 4.928 -13.483 1.00 0.00 C ATOM 496 O ASP A 35 -11.973 5.917 -14.092 1.00 0.00 O ATOM 497 CB ASP A 35 -14.658 5.244 -12.502 1.00 0.00 C ATOM 498 CG ASP A 35 -14.391 4.724 -11.103 1.00 0.00 C ATOM 499 OD1 ASP A 35 -13.354 5.099 -10.519 1.00 0.00 O ATOM 500 OD2 ASP A 35 -15.221 3.941 -10.592 1.00 0.00 O ATOM 0 H ASP A 35 -14.222 2.762 -12.467 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.216 4.777 -14.553 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.425 6.308 -12.541 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.719 5.141 -12.728 1.00 0.00 H new ATOM 505 N LYS A 36 -11.595 4.173 -12.728 1.00 0.00 N ATOM 506 CA LYS A 36 -10.177 4.471 -12.568 1.00 0.00 C ATOM 507 C LYS A 36 -9.423 3.282 -11.999 1.00 0.00 C ATOM 508 O LYS A 36 -10.005 2.392 -11.378 1.00 0.00 O ATOM 509 CB LYS A 36 -9.989 5.696 -11.668 1.00 0.00 C ATOM 510 CG LYS A 36 -10.329 5.440 -10.208 1.00 0.00 C ATOM 511 CD LYS A 36 -10.687 6.726 -9.480 1.00 0.00 C ATOM 512 CE LYS A 36 -9.578 7.159 -8.532 1.00 0.00 C ATOM 513 NZ LYS A 36 -9.385 8.635 -8.539 1.00 0.00 N ATOM 0 H LYS A 36 -11.915 3.350 -12.217 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.768 4.688 -13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.954 6.031 -11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.613 6.508 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.164 4.742 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.480 4.967 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.875 7.516 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.611 6.583 -8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.816 6.829 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.646 6.670 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.621 8.888 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.133 8.948 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.266 9.102 -8.243 1.00 0.00 H new ATOM 527 N VAL A 37 -8.123 3.271 -12.244 1.00 0.00 N ATOM 528 CA VAL A 37 -7.263 2.198 -11.795 1.00 0.00 C ATOM 529 C VAL A 37 -5.879 2.732 -11.428 1.00 0.00 C ATOM 530 O VAL A 37 -5.261 3.465 -12.199 1.00 0.00 O ATOM 531 CB VAL A 37 -7.137 1.132 -12.899 1.00 0.00 C ATOM 532 CG1 VAL A 37 -7.053 1.798 -14.267 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.943 0.211 -12.656 1.00 0.00 C ATOM 0 H VAL A 37 -7.639 4.006 -12.759 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.706 1.748 -10.907 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.031 0.509 -12.873 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.964 1.034 -15.039 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.954 2.387 -14.441 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.181 2.451 -14.301 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.885 -0.528 -13.455 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.026 0.800 -12.640 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.064 -0.297 -11.699 1.00 0.00 H new ATOM 543 N HIS A 38 -5.399 2.358 -10.247 1.00 0.00 N ATOM 544 CA HIS A 38 -4.090 2.800 -9.784 1.00 0.00 C ATOM 545 C HIS A 38 -3.084 1.655 -9.820 1.00 0.00 C ATOM 546 O HIS A 38 -3.294 0.610 -9.203 1.00 0.00 O ATOM 547 CB HIS A 38 -4.190 3.362 -8.365 1.00 0.00 C ATOM 548 CG HIS A 38 -4.695 4.770 -8.314 1.00 0.00 C ATOM 549 ND1 HIS A 38 -5.764 5.215 -9.062 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.270 5.838 -7.596 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.975 6.495 -8.809 1.00 0.00 C ATOM 552 NE2 HIS A 38 -5.083 6.895 -7.922 1.00 0.00 N ATOM 0 H HIS A 38 -5.896 1.751 -9.595 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.742 3.586 -10.455 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.851 2.726 -7.777 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.207 3.320 -7.896 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.446 5.854 -6.898 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.745 7.109 -9.252 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.010 7.838 -7.540 1.00 0.00 H new ATOM 561 N THR A 39 -1.990 1.857 -10.548 1.00 0.00 N ATOM 562 CA THR A 39 -0.951 0.841 -10.664 1.00 0.00 C ATOM 563 C THR A 39 0.175 1.102 -9.669 1.00 0.00 C ATOM 564 O THR A 39 0.693 2.215 -9.580 1.00 0.00 O ATOM 565 CB THR A 39 -0.393 0.810 -12.089 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.265 1.475 -12.986 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.178 -0.593 -12.616 1.00 0.00 C ATOM 0 H THR A 39 -1.801 2.715 -11.066 1.00 0.00 H new ATOM 0 HA THR A 39 -1.397 -0.127 -10.437 1.00 0.00 H new ATOM 0 HB THR A 39 0.572 1.313 -12.031 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.889 1.445 -13.890 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.219 -0.544 -13.630 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.530 -1.118 -11.975 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.127 -1.128 -12.623 1.00 0.00 H new ATOM 575 N VAL A 40 0.544 0.070 -8.917 1.00 0.00 N ATOM 576 CA VAL A 40 1.602 0.189 -7.923 1.00 0.00 C ATOM 577 C VAL A 40 2.777 -0.721 -8.253 1.00 0.00 C ATOM 578 O VAL A 40 2.592 -1.869 -8.650 1.00 0.00 O ATOM 579 CB VAL A 40 1.077 -0.156 -6.506 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.898 -1.263 -5.851 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.068 1.075 -5.624 1.00 0.00 C ATOM 0 H VAL A 40 0.125 -0.858 -8.978 1.00 0.00 H new ATOM 0 HA VAL A 40 1.939 1.225 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 40 0.056 -0.520 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.498 -1.475 -4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.848 -2.164 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.936 -0.942 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.696 0.811 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.081 1.468 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.420 1.833 -6.064 1.00 0.00 H new ATOM 591 N VAL A 41 3.982 -0.210 -8.043 1.00 0.00 N ATOM 592 CA VAL A 41 5.189 -0.989 -8.273 1.00 0.00 C ATOM 593 C VAL A 41 5.754 -1.436 -6.933 1.00 0.00 C ATOM 594 O VAL A 41 6.469 -0.683 -6.272 1.00 0.00 O ATOM 595 CB VAL A 41 6.261 -0.190 -9.043 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.285 -1.131 -9.662 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.619 0.685 -10.112 1.00 0.00 C ATOM 0 H VAL A 41 4.149 0.741 -7.714 1.00 0.00 H new ATOM 0 HA VAL A 41 4.921 -1.850 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 41 6.775 0.461 -8.336 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.033 -0.550 -10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.771 -1.708 -8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.785 -1.809 -10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.394 1.239 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.075 0.057 -10.817 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.929 1.386 -9.642 1.00 0.00 H new ATOM 607 N LEU A 42 5.413 -2.658 -6.528 1.00 0.00 N ATOM 608 CA LEU A 42 5.864 -3.209 -5.250 1.00 0.00 C ATOM 609 C LEU A 42 7.337 -2.891 -4.974 1.00 0.00 C ATOM 610 O LEU A 42 7.762 -2.840 -3.820 1.00 0.00 O ATOM 611 CB LEU A 42 5.644 -4.724 -5.226 1.00 0.00 C ATOM 612 CG LEU A 42 4.191 -5.198 -5.064 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.796 -5.258 -3.603 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.220 -4.309 -5.813 1.00 0.00 C ATOM 0 H LEU A 42 4.822 -3.289 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 42 5.273 -2.739 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.039 -5.142 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.234 -5.143 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 42 4.140 -6.200 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.763 -5.596 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.450 -5.954 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.890 -4.267 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.205 -4.679 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.291 -3.290 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.465 -4.317 -6.875 1.00 0.00 H new ATOM 626 N SER A 43 8.105 -2.660 -6.036 1.00 0.00 N ATOM 627 CA SER A 43 9.518 -2.331 -5.900 1.00 0.00 C ATOM 628 C SER A 43 9.665 -0.900 -5.422 1.00 0.00 C ATOM 629 O SER A 43 10.385 -0.625 -4.461 1.00 0.00 O ATOM 630 CB SER A 43 10.245 -2.513 -7.230 1.00 0.00 C ATOM 631 OG SER A 43 9.446 -2.063 -8.310 1.00 0.00 O ATOM 0 H SER A 43 7.771 -2.695 -6.999 1.00 0.00 H new ATOM 0 HA SER A 43 9.964 -3.005 -5.169 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.185 -1.961 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.495 -3.564 -7.371 1.00 0.00 H new ATOM 0 HG SER A 43 9.832 -1.243 -8.683 1.00 0.00 H new ATOM 637 N THR A 44 8.953 0.009 -6.081 1.00 0.00 N ATOM 638 CA THR A 44 8.982 1.400 -5.702 1.00 0.00 C ATOM 639 C THR A 44 8.384 1.545 -4.312 1.00 0.00 C ATOM 640 O THR A 44 8.747 2.446 -3.556 1.00 0.00 O ATOM 641 CB THR A 44 8.193 2.224 -6.713 1.00 0.00 C ATOM 642 OG1 THR A 44 6.816 1.900 -6.662 1.00 0.00 O ATOM 643 CG2 THR A 44 8.661 2.032 -8.139 1.00 0.00 C ATOM 0 H THR A 44 8.352 -0.202 -6.878 1.00 0.00 H new ATOM 0 HA THR A 44 10.010 1.763 -5.689 1.00 0.00 H new ATOM 0 HB THR A 44 8.362 3.263 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.711 0.955 -6.423 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.057 2.647 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.707 2.327 -8.221 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.556 0.984 -8.418 1.00 0.00 H new ATOM 651 N ILE A 45 7.478 0.625 -3.971 1.00 0.00 N ATOM 652 CA ILE A 45 6.851 0.630 -2.659 1.00 0.00 C ATOM 653 C ILE A 45 7.910 0.553 -1.558 1.00 0.00 C ATOM 654 O ILE A 45 8.497 -0.505 -1.326 1.00 0.00 O ATOM 655 CB ILE A 45 5.880 -0.557 -2.498 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.772 -0.495 -3.554 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.292 -0.578 -1.095 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.825 0.673 -3.383 1.00 0.00 C ATOM 0 H ILE A 45 7.167 -0.127 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 45 6.292 1.562 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 45 6.437 -1.482 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.228 -0.438 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.200 -1.422 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.609 -1.422 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.096 -0.677 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.749 0.350 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.070 0.647 -4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.339 0.608 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.384 1.607 -3.447 1.00 0.00 H new ATOM 670 N ASP A 46 8.150 1.673 -0.882 1.00 0.00 N ATOM 671 CA ASP A 46 9.138 1.722 0.194 1.00 0.00 C ATOM 672 C ASP A 46 8.956 0.552 1.161 1.00 0.00 C ATOM 673 O ASP A 46 9.926 0.034 1.713 1.00 0.00 O ATOM 674 CB ASP A 46 9.028 3.046 0.954 1.00 0.00 C ATOM 675 CG ASP A 46 10.367 3.523 1.480 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.069 2.721 2.131 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.714 4.699 1.242 1.00 0.00 O ATOM 0 H ASP A 46 7.675 2.558 -1.059 1.00 0.00 H new ATOM 0 HA ASP A 46 10.128 1.646 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.608 3.806 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.335 2.927 1.787 1.00 0.00 H new ATOM 682 N LYS A 47 7.707 0.139 1.352 1.00 0.00 N ATOM 683 CA LYS A 47 7.396 -0.973 2.243 1.00 0.00 C ATOM 684 C LYS A 47 5.922 -1.357 2.137 1.00 0.00 C ATOM 685 O LYS A 47 5.107 -0.593 1.621 1.00 0.00 O ATOM 686 CB LYS A 47 7.748 -0.619 3.690 1.00 0.00 C ATOM 687 CG LYS A 47 6.870 0.467 4.289 1.00 0.00 C ATOM 688 CD LYS A 47 7.283 0.792 5.717 1.00 0.00 C ATOM 689 CE LYS A 47 7.318 2.293 5.962 1.00 0.00 C ATOM 690 NZ LYS A 47 8.541 2.704 6.705 1.00 0.00 N ATOM 0 H LYS A 47 6.894 0.558 0.901 1.00 0.00 H new ATOM 0 HA LYS A 47 7.998 -1.829 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.668 -1.517 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.788 -0.296 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.933 1.367 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.829 0.144 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.586 0.325 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.266 0.367 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.279 2.818 5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.433 2.590 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.528 3.733 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.566 2.223 7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.385 2.444 6.156 1.00 0.00 H new ATOM 704 N LEU A 48 5.590 -2.547 2.624 1.00 0.00 N ATOM 705 CA LEU A 48 4.217 -3.039 2.578 1.00 0.00 C ATOM 706 C LEU A 48 3.595 -3.059 3.974 1.00 0.00 C ATOM 707 O LEU A 48 4.141 -3.665 4.895 1.00 0.00 O ATOM 708 CB LEU A 48 4.189 -4.448 1.982 1.00 0.00 C ATOM 709 CG LEU A 48 2.805 -5.094 1.916 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.038 -4.580 0.709 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.927 -6.610 1.867 1.00 0.00 C ATOM 0 H LEU A 48 6.253 -3.190 3.056 1.00 0.00 H new ATOM 0 HA LEU A 48 3.634 -2.365 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.603 -4.408 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.845 -5.089 2.571 1.00 0.00 H new ATOM 0 HG LEU A 48 2.253 -4.823 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.055 -5.049 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.922 -3.499 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.587 -4.823 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.933 -7.054 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.496 -6.901 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.440 -6.963 2.762 1.00 0.00 H new ATOM 723 N GLN A 49 2.451 -2.396 4.124 1.00 0.00 N ATOM 724 CA GLN A 49 1.756 -2.345 5.405 1.00 0.00 C ATOM 725 C GLN A 49 0.360 -2.943 5.282 1.00 0.00 C ATOM 726 O GLN A 49 -0.288 -2.806 4.251 1.00 0.00 O ATOM 727 CB GLN A 49 1.646 -0.902 5.894 1.00 0.00 C ATOM 728 CG GLN A 49 2.922 -0.096 5.718 1.00 0.00 C ATOM 729 CD GLN A 49 2.996 1.087 6.662 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.016 1.433 7.322 1.00 0.00 O ATOM 731 NE2 GLN A 49 4.163 1.716 6.732 1.00 0.00 N ATOM 0 H GLN A 49 1.986 -1.886 3.373 1.00 0.00 H new ATOM 0 HA GLN A 49 2.332 -2.927 6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.837 -0.407 5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.372 -0.906 6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.783 -0.744 5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.984 0.260 4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.950 1.396 6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.273 2.520 7.351 1.00 0.00 H new ATOM 740 N ALA A 50 -0.097 -3.611 6.333 1.00 0.00 N ATOM 741 CA ALA A 50 -1.416 -4.224 6.328 1.00 0.00 C ATOM 742 C ALA A 50 -1.928 -4.420 7.753 1.00 0.00 C ATOM 743 O ALA A 50 -1.142 -4.645 8.674 1.00 0.00 O ATOM 744 CB ALA A 50 -1.353 -5.544 5.588 1.00 0.00 C ATOM 0 H ALA A 50 0.427 -3.741 7.199 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.116 -3.564 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.340 -6.006 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.028 -5.371 4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.645 -6.207 6.086 1.00 0.00 H new ATOM 750 N THR A 51 -3.245 -4.329 7.937 1.00 0.00 N ATOM 751 CA THR A 51 -3.832 -4.493 9.263 1.00 0.00 C ATOM 752 C THR A 51 -3.843 -5.962 9.683 1.00 0.00 C ATOM 753 O THR A 51 -4.003 -6.853 8.850 1.00 0.00 O ATOM 754 CB THR A 51 -5.255 -3.935 9.293 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.087 -4.637 8.389 1.00 0.00 O ATOM 756 CG2 THR A 51 -5.328 -2.464 8.941 1.00 0.00 C ATOM 0 H THR A 51 -3.918 -4.145 7.193 1.00 0.00 H new ATOM 0 HA THR A 51 -3.216 -3.936 9.969 1.00 0.00 H new ATOM 0 HB THR A 51 -5.595 -4.062 10.321 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.555 -5.300 7.902 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.365 -2.131 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.735 -1.890 9.653 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.936 -2.311 7.935 1.00 0.00 H new ATOM 847 N MET A 58 -10.076 -5.195 7.981 1.00 0.00 N ATOM 848 CA MET A 58 -8.855 -5.522 7.245 1.00 0.00 C ATOM 849 C MET A 58 -8.504 -4.440 6.223 1.00 0.00 C ATOM 850 O MET A 58 -9.369 -3.956 5.491 1.00 0.00 O ATOM 851 CB MET A 58 -9.005 -6.876 6.546 1.00 0.00 C ATOM 852 CG MET A 58 -9.989 -6.870 5.382 1.00 0.00 C ATOM 853 SD MET A 58 -11.713 -6.865 5.914 1.00 0.00 S ATOM 854 CE MET A 58 -11.727 -8.249 7.051 1.00 0.00 C ATOM 0 HA MET A 58 -8.039 -5.576 7.966 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.029 -7.194 6.181 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.329 -7.617 7.277 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.804 -5.993 4.762 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.810 -7.746 4.758 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.597 -8.875 6.851 1.00 0.00 H new ATOM 0 HE2 MET A 58 -10.819 -8.837 6.920 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.774 -7.878 8.075 1.00 0.00 H new ATOM 864 N MET A 59 -7.229 -4.064 6.185 1.00 0.00 N ATOM 865 CA MET A 59 -6.753 -3.042 5.263 1.00 0.00 C ATOM 866 C MET A 59 -5.298 -3.279 4.871 1.00 0.00 C ATOM 867 O MET A 59 -4.464 -3.608 5.714 1.00 0.00 O ATOM 868 CB MET A 59 -6.882 -1.662 5.900 1.00 0.00 C ATOM 869 CG MET A 59 -8.320 -1.208 6.072 1.00 0.00 C ATOM 870 SD MET A 59 -8.461 0.570 6.327 1.00 0.00 S ATOM 871 CE MET A 59 -8.779 0.619 8.087 1.00 0.00 C ATOM 0 H MET A 59 -6.504 -4.456 6.787 1.00 0.00 H new ATOM 0 HA MET A 59 -7.367 -3.096 4.364 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.394 -1.673 6.874 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.351 -0.935 5.285 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.894 -1.491 5.190 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.762 -1.729 6.921 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.892 1.655 8.408 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.694 0.069 8.307 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.945 0.163 8.620 1.00 0.00 H new ATOM 881 N LEU A 60 -4.995 -3.084 3.594 1.00 0.00 N ATOM 882 CA LEU A 60 -3.631 -3.247 3.096 1.00 0.00 C ATOM 883 C LEU A 60 -3.110 -1.925 2.544 1.00 0.00 C ATOM 884 O LEU A 60 -3.857 -1.162 1.932 1.00 0.00 O ATOM 885 CB LEU A 60 -3.568 -4.322 2.008 1.00 0.00 C ATOM 886 CG LEU A 60 -4.084 -5.708 2.405 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.682 -6.728 1.359 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.545 -6.132 3.760 1.00 0.00 C ATOM 0 H LEU A 60 -5.674 -2.813 2.883 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.004 -3.562 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.141 -3.975 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.533 -4.421 1.682 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.171 -5.654 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.053 -7.711 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.108 -6.449 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.595 -6.759 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.930 -7.120 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.456 -6.166 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.861 -5.415 4.518 1.00 0.00 H new ATOM 900 N ARG A 61 -1.831 -1.651 2.772 1.00 0.00 N ATOM 901 CA ARG A 61 -1.226 -0.410 2.303 1.00 0.00 C ATOM 902 C ARG A 61 0.206 -0.622 1.826 1.00 0.00 C ATOM 903 O ARG A 61 0.920 -1.484 2.332 1.00 0.00 O ATOM 904 CB ARG A 61 -1.227 0.626 3.425 1.00 0.00 C ATOM 905 CG ARG A 61 -0.893 2.032 2.956 1.00 0.00 C ATOM 906 CD ARG A 61 -0.427 2.908 4.109 1.00 0.00 C ATOM 907 NE ARG A 61 -1.418 2.972 5.180 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.430 3.911 6.124 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.508 4.865 6.131 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.367 3.895 7.061 1.00 0.00 N ATOM 0 H ARG A 61 -1.195 -2.268 3.277 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.820 -0.057 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.208 0.634 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.507 0.325 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.115 1.987 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.771 2.479 2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.511 2.518 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.224 3.914 3.742 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.143 2.255 5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.214 4.881 5.411 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.522 5.582 6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.078 3.164 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.377 4.614 7.785 1.00 0.00 H new ATOM 924 N LEU A 62 0.624 0.193 0.864 1.00 0.00 N ATOM 925 CA LEU A 62 1.980 0.127 0.332 1.00 0.00 C ATOM 926 C LEU A 62 2.617 1.511 0.359 1.00 0.00 C ATOM 927 O LEU A 62 2.139 2.435 -0.297 1.00 0.00 O ATOM 928 CB LEU A 62 1.981 -0.420 -1.095 1.00 0.00 C ATOM 929 CG LEU A 62 1.407 -1.828 -1.249 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.111 -1.777 -2.027 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.406 -2.760 -1.931 1.00 0.00 C ATOM 0 H LEU A 62 0.040 0.911 0.435 1.00 0.00 H new ATOM 0 HA LEU A 62 2.561 -0.550 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.411 0.259 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.005 -0.419 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 62 1.207 -2.227 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.290 -2.785 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.608 -1.153 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.296 -1.356 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.969 -3.754 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.647 -2.373 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.315 -2.819 -1.333 1.00 0.00 H new ATOM 943 N ILE A 63 3.692 1.655 1.123 1.00 0.00 N ATOM 944 CA ILE A 63 4.379 2.937 1.230 1.00 0.00 C ATOM 945 C ILE A 63 5.220 3.204 -0.011 1.00 0.00 C ATOM 946 O ILE A 63 5.766 2.280 -0.606 1.00 0.00 O ATOM 947 CB ILE A 63 5.290 2.991 2.473 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.596 2.356 3.682 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.689 4.427 2.782 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.242 2.957 3.990 1.00 0.00 C ATOM 0 H ILE A 63 4.106 0.904 1.676 1.00 0.00 H new ATOM 0 HA ILE A 63 3.609 3.703 1.324 1.00 0.00 H new ATOM 0 HB ILE A 63 6.193 2.420 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.477 1.288 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.238 2.462 4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.332 4.445 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.227 4.846 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.795 5.020 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.811 2.458 4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.356 4.020 4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.582 2.827 3.132 1.00 0.00 H new ATOM 962 N GLY A 64 5.319 4.471 -0.396 1.00 0.00 N ATOM 963 CA GLY A 64 6.097 4.832 -1.565 1.00 0.00 C ATOM 964 C GLY A 64 7.380 5.556 -1.204 1.00 0.00 C ATOM 965 O GLY A 64 7.435 6.271 -0.204 1.00 0.00 O ATOM 0 H GLY A 64 4.874 5.255 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.338 3.932 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.496 5.466 -2.217 1.00 0.00 H new ATOM 991 N VAL A 66 9.814 8.101 -0.558 1.00 0.00 N ATOM 992 CA VAL A 66 9.709 9.542 -0.372 1.00 0.00 C ATOM 993 C VAL A 66 11.085 10.202 -0.375 1.00 0.00 C ATOM 994 O VAL A 66 12.100 9.544 -0.151 1.00 0.00 O ATOM 995 CB VAL A 66 8.986 9.879 0.946 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.802 9.419 2.144 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.692 11.369 1.030 1.00 0.00 C ATOM 0 HA VAL A 66 9.128 9.931 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 66 8.037 9.344 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.271 9.668 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.950 8.340 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.771 9.919 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.181 11.587 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.627 11.927 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.057 11.662 0.194 1.00 0.00 H new ATOM 1007 N ASP A 67 11.109 11.506 -0.627 1.00 0.00 N ATOM 1008 CA ASP A 67 12.359 12.256 -0.655 1.00 0.00 C ATOM 1009 C ASP A 67 12.554 13.031 0.644 1.00 0.00 C ATOM 1010 O ASP A 67 13.025 14.169 0.636 1.00 0.00 O ATOM 1011 CB ASP A 67 12.375 13.218 -1.846 1.00 0.00 C ATOM 1012 CG ASP A 67 12.915 12.569 -3.105 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.013 11.976 -3.044 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.240 12.654 -4.153 1.00 0.00 O ATOM 0 H ASP A 67 10.277 12.066 -0.815 1.00 0.00 H new ATOM 0 HA ASP A 67 13.179 11.546 -0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.363 13.579 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.984 14.088 -1.599 1.00 0.00 H new ATOM 1019 N GLU A 68 12.191 12.406 1.758 1.00 0.00 N ATOM 1020 CA GLU A 68 12.325 13.034 3.067 1.00 0.00 C ATOM 1021 C GLU A 68 13.792 13.198 3.450 1.00 0.00 C ATOM 1022 O GLU A 68 14.139 14.047 4.271 1.00 0.00 O ATOM 1023 CB GLU A 68 11.596 12.210 4.131 1.00 0.00 C ATOM 1024 CG GLU A 68 12.172 10.817 4.320 1.00 0.00 C ATOM 1025 CD GLU A 68 13.131 10.737 5.490 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.668 10.847 6.646 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.345 10.563 5.253 1.00 0.00 O ATOM 0 H GLU A 68 11.801 11.464 1.781 1.00 0.00 H new ATOM 0 HA GLU A 68 11.873 14.024 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.635 12.743 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.545 12.125 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.358 10.109 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.690 10.515 3.409 1.00 0.00 H new ATOM 1034 N SER A 69 14.649 12.381 2.851 1.00 0.00 N ATOM 1035 CA SER A 69 16.080 12.436 3.128 1.00 0.00 C ATOM 1036 C SER A 69 16.656 13.804 2.774 1.00 0.00 C ATOM 1037 O SER A 69 17.721 14.184 3.261 1.00 0.00 O ATOM 1038 CB SER A 69 16.814 11.343 2.349 1.00 0.00 C ATOM 1039 OG SER A 69 18.111 11.124 2.877 1.00 0.00 O ATOM 0 H SER A 69 14.379 11.672 2.170 1.00 0.00 H new ATOM 0 HA SER A 69 16.222 12.270 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.241 10.417 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.888 11.628 1.299 1.00 0.00 H new ATOM 0 HG SER A 69 18.559 10.420 2.363 1.00 0.00 H new ATOM 1045 N LYS A 70 15.947 14.540 1.925 1.00 0.00 N ATOM 1046 CA LYS A 70 16.390 15.865 1.506 1.00 0.00 C ATOM 1047 C LYS A 70 15.991 16.921 2.532 1.00 0.00 C ATOM 1048 O LYS A 70 16.846 17.512 3.192 1.00 0.00 O ATOM 1049 CB LYS A 70 15.796 16.215 0.141 1.00 0.00 C ATOM 1050 CG LYS A 70 16.190 15.245 -0.961 1.00 0.00 C ATOM 1051 CD LYS A 70 17.505 15.643 -1.610 1.00 0.00 C ATOM 1052 CE LYS A 70 17.920 14.648 -2.683 1.00 0.00 C ATOM 1053 NZ LYS A 70 18.539 15.323 -3.857 1.00 0.00 N ATOM 0 H LYS A 70 15.063 14.241 1.513 1.00 0.00 H new ATOM 0 HA LYS A 70 17.477 15.851 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.709 16.238 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.116 17.219 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.276 14.240 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.405 15.213 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.409 16.636 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.283 15.705 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.626 13.933 -2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.048 14.081 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.808 14.610 -4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.857 15.987 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.386 15.844 -3.551 1.00 0.00 H new ATOM 1067 N LYS A 71 14.688 17.155 2.660 1.00 0.00 N ATOM 1068 CA LYS A 71 14.179 18.142 3.605 1.00 0.00 C ATOM 1069 C LYS A 71 14.725 19.530 3.284 1.00 0.00 C ATOM 1070 O LYS A 71 15.802 19.906 3.746 1.00 0.00 O ATOM 1071 CB LYS A 71 14.554 17.751 5.035 1.00 0.00 C ATOM 1072 CG LYS A 71 13.716 16.615 5.596 1.00 0.00 C ATOM 1073 CD LYS A 71 14.551 15.669 6.444 1.00 0.00 C ATOM 1074 CE LYS A 71 13.708 14.540 7.015 1.00 0.00 C ATOM 1075 NZ LYS A 71 14.543 13.377 7.425 1.00 0.00 N ATOM 0 H LYS A 71 13.967 16.675 2.122 1.00 0.00 H new ATOM 0 HA LYS A 71 13.093 18.168 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.605 17.462 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.447 18.623 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.904 17.024 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.258 16.061 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.357 15.253 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.017 16.224 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.147 14.905 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.979 14.219 6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.992 12.501 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.389 13.327 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.831 13.490 8.418 1.00 0.00 H new ATOM 1089 N ARG A 72 13.977 20.284 2.485 1.00 0.00 N ATOM 1090 CA ARG A 72 14.386 21.628 2.099 1.00 0.00 C ATOM 1091 C ARG A 72 13.788 22.673 3.035 1.00 0.00 C ATOM 1092 O ARG A 72 13.076 22.339 3.982 1.00 0.00 O ATOM 1093 CB ARG A 72 13.959 21.914 0.657 1.00 0.00 C ATOM 1094 CG ARG A 72 15.092 21.792 -0.349 1.00 0.00 C ATOM 1095 CD ARG A 72 15.189 23.024 -1.235 1.00 0.00 C ATOM 1096 NE ARG A 72 15.407 22.674 -2.637 1.00 0.00 N ATOM 1097 CZ ARG A 72 16.504 22.072 -3.088 1.00 0.00 C ATOM 1098 NH1 ARG A 72 17.485 21.751 -2.253 1.00 0.00 N ATOM 1099 NH2 ARG A 72 16.622 21.787 -4.379 1.00 0.00 N ATOM 0 H ARG A 72 13.084 19.986 2.092 1.00 0.00 H new ATOM 0 HA ARG A 72 15.472 21.686 2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.162 21.224 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.543 22.920 0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.034 21.648 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.936 20.909 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.273 23.608 -1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.006 23.657 -0.888 1.00 0.00 H new ATOM 0 HE ARG A 72 14.675 22.905 -3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.400 21.966 -1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.324 21.289 -2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.871 22.030 -5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.463 21.325 -4.725 1.00 0.00 H new ATOM 1113 N LYS A 73 14.082 23.938 2.760 1.00 0.00 N ATOM 1114 CA LYS A 73 13.575 25.038 3.571 1.00 0.00 C ATOM 1115 C LYS A 73 12.982 26.130 2.688 1.00 0.00 C ATOM 1116 O LYS A 73 12.758 25.923 1.495 1.00 0.00 O ATOM 1117 CB LYS A 73 14.693 25.616 4.441 1.00 0.00 C ATOM 1118 CG LYS A 73 15.519 24.555 5.153 1.00 0.00 C ATOM 1119 CD LYS A 73 15.574 24.801 6.653 1.00 0.00 C ATOM 1120 CE LYS A 73 16.504 23.818 7.344 1.00 0.00 C ATOM 1121 NZ LYS A 73 17.902 24.328 7.411 1.00 0.00 N ATOM 0 H LYS A 73 14.671 24.228 1.979 1.00 0.00 H new ATOM 0 HA LYS A 73 12.788 24.651 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.352 26.220 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.256 26.284 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.092 23.571 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.531 24.548 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.912 25.819 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.572 24.714 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.140 23.622 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.490 22.868 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.504 23.628 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.259 24.491 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.920 25.222 7.943 1.00 0.00 H new ATOM 1135 N ASP A 74 12.727 27.293 3.278 1.00 0.00 N ATOM 1136 CA ASP A 74 12.159 28.414 2.539 1.00 0.00 C ATOM 1137 C ASP A 74 12.859 29.719 2.907 1.00 0.00 C ATOM 1138 O ASP A 74 13.792 29.730 3.709 1.00 0.00 O ATOM 1139 CB ASP A 74 10.659 28.525 2.818 1.00 0.00 C ATOM 1140 CG ASP A 74 9.880 29.009 1.609 1.00 0.00 C ATOM 1141 OD1 ASP A 74 10.095 28.462 0.507 1.00 0.00 O ATOM 1142 OD2 ASP A 74 9.056 29.934 1.766 1.00 0.00 O ATOM 0 H ASP A 74 12.904 27.484 4.264 1.00 0.00 H new ATOM 0 HA ASP A 74 12.310 28.232 1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.277 27.552 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.497 29.211 3.650 1.00 0.00 H new ATOM 1147 N ASN A 75 12.404 30.818 2.312 1.00 0.00 N ATOM 1148 CA ASN A 75 12.989 32.129 2.573 1.00 0.00 C ATOM 1149 C ASN A 75 12.938 32.476 4.058 1.00 0.00 C ATOM 1150 O ASN A 75 13.707 33.308 4.537 1.00 0.00 O ATOM 1151 CB ASN A 75 12.263 33.204 1.761 1.00 0.00 C ATOM 1152 CG ASN A 75 13.108 34.447 1.563 1.00 0.00 C ATOM 1153 OD1 ASN A 75 13.804 34.584 0.557 1.00 0.00 O ATOM 1154 ND2 ASN A 75 13.051 35.361 2.524 1.00 0.00 N ATOM 0 H ASN A 75 11.632 30.826 1.646 1.00 0.00 H new ATOM 0 HA ASN A 75 14.035 32.093 2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.987 32.797 0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.337 33.475 2.268 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.598 36.218 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.460 35.206 3.341 1.00 0.00 H new ATOM 1161 N GLU A 76 12.028 31.834 4.781 1.00 0.00 N ATOM 1162 CA GLU A 76 11.878 32.079 6.211 1.00 0.00 C ATOM 1163 C GLU A 76 12.379 30.887 7.022 1.00 0.00 C ATOM 1164 O GLU A 76 11.829 30.566 8.075 1.00 0.00 O ATOM 1165 CB GLU A 76 10.414 32.362 6.552 1.00 0.00 C ATOM 1166 CG GLU A 76 10.234 33.400 7.648 1.00 0.00 C ATOM 1167 CD GLU A 76 10.845 32.968 8.966 1.00 0.00 C ATOM 1168 OE1 GLU A 76 10.271 32.075 9.622 1.00 0.00 O ATOM 1169 OE2 GLU A 76 11.899 33.524 9.342 1.00 0.00 O ATOM 0 H GLU A 76 11.383 31.141 4.401 1.00 0.00 H new ATOM 0 HA GLU A 76 12.479 32.951 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.899 32.702 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.935 31.433 6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.688 34.339 7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.171 33.592 7.790 1.00 0.00 H new ATOM 1176 N GLY A 77 13.425 30.235 6.523 1.00 0.00 N ATOM 1177 CA GLY A 77 13.981 29.086 7.214 1.00 0.00 C ATOM 1178 C GLY A 77 12.944 28.011 7.484 1.00 0.00 C ATOM 1179 O GLY A 77 13.087 27.221 8.416 1.00 0.00 O ATOM 0 H GLY A 77 13.897 30.482 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.790 28.664 6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.417 29.411 8.159 1.00 0.00 H new ATOM 1183 N ASN A 78 11.897 27.985 6.666 1.00 0.00 N ATOM 1184 CA ASN A 78 10.830 27.004 6.820 1.00 0.00 C ATOM 1185 C ASN A 78 11.335 25.597 6.511 1.00 0.00 C ATOM 1186 O ASN A 78 12.538 25.377 6.363 1.00 0.00 O ATOM 1187 CB ASN A 78 9.655 27.354 5.904 1.00 0.00 C ATOM 1188 CG ASN A 78 8.476 27.924 6.668 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.697 27.187 7.272 1.00 0.00 O ATOM 1190 ND2 ASN A 78 8.341 29.245 6.645 1.00 0.00 N ATOM 0 H ASN A 78 11.765 28.633 5.889 1.00 0.00 H new ATOM 0 HA ASN A 78 10.493 27.027 7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.983 28.076 5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.338 26.460 5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.567 29.687 7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.011 29.817 6.131 1.00 0.00 H new ATOM 1197 N GLU A 79 10.409 24.649 6.416 1.00 0.00 N ATOM 1198 CA GLU A 79 10.757 23.265 6.123 1.00 0.00 C ATOM 1199 C GLU A 79 9.796 22.675 5.098 1.00 0.00 C ATOM 1200 O GLU A 79 8.584 22.646 5.313 1.00 0.00 O ATOM 1201 CB GLU A 79 10.733 22.429 7.405 1.00 0.00 C ATOM 1202 CG GLU A 79 11.995 22.562 8.240 1.00 0.00 C ATOM 1203 CD GLU A 79 12.216 21.372 9.154 1.00 0.00 C ATOM 1204 OE1 GLU A 79 11.475 21.242 10.150 1.00 0.00 O ATOM 1205 OE2 GLU A 79 13.133 20.571 8.874 1.00 0.00 O ATOM 0 H GLU A 79 9.410 24.815 6.538 1.00 0.00 H new ATOM 0 HA GLU A 79 11.764 23.246 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.875 22.727 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.589 21.381 7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.854 22.672 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.936 23.470 8.840 1.00 0.00 H new ATOM 1212 N VAL A 80 10.342 22.209 3.981 1.00 0.00 N ATOM 1213 CA VAL A 80 9.532 21.625 2.923 1.00 0.00 C ATOM 1214 C VAL A 80 9.383 20.120 3.105 1.00 0.00 C ATOM 1215 O VAL A 80 8.281 19.621 3.341 1.00 0.00 O ATOM 1216 CB VAL A 80 10.138 21.907 1.546 1.00 0.00 C ATOM 1217 CG1 VAL A 80 9.271 21.319 0.442 1.00 0.00 C ATOM 1218 CG2 VAL A 80 10.340 23.402 1.349 1.00 0.00 C ATOM 0 H VAL A 80 11.343 22.225 3.786 1.00 0.00 H new ATOM 0 HA VAL A 80 8.547 22.088 2.984 1.00 0.00 H new ATOM 0 HB VAL A 80 11.114 21.424 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.722 21.532 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.193 20.240 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.276 21.763 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.772 23.584 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.380 23.912 1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.014 23.782 2.117 1.00 0.00 H new ATOM 1228 N VAL A 81 10.503 19.407 3.000 1.00 0.00 N ATOM 1229 CA VAL A 81 10.528 17.957 3.155 1.00 0.00 C ATOM 1230 C VAL A 81 9.258 17.301 2.608 1.00 0.00 C ATOM 1231 O VAL A 81 8.362 16.930 3.365 1.00 0.00 O ATOM 1232 CB VAL A 81 10.732 17.580 4.631 1.00 0.00 C ATOM 1233 CG1 VAL A 81 9.697 18.267 5.509 1.00 0.00 C ATOM 1234 CG2 VAL A 81 10.702 16.071 4.821 1.00 0.00 C ATOM 0 H VAL A 81 11.416 19.819 2.806 1.00 0.00 H new ATOM 0 HA VAL A 81 11.368 17.580 2.571 1.00 0.00 H new ATOM 0 HB VAL A 81 11.718 17.929 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.859 17.987 6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.792 19.348 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.697 17.959 5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.849 15.834 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.738 15.682 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.497 15.614 4.232 1.00 0.00 H new ATOM 1244 N PRO A 82 9.165 17.155 1.272 1.00 0.00 N ATOM 1245 CA PRO A 82 8.008 16.552 0.613 1.00 0.00 C ATOM 1246 C PRO A 82 7.505 15.305 1.334 1.00 0.00 C ATOM 1247 O PRO A 82 8.262 14.367 1.576 1.00 0.00 O ATOM 1248 CB PRO A 82 8.525 16.192 -0.791 1.00 0.00 C ATOM 1249 CG PRO A 82 9.969 16.583 -0.818 1.00 0.00 C ATOM 1250 CD PRO A 82 10.173 17.569 0.295 1.00 0.00 C ATOM 0 HA PRO A 82 7.157 17.233 0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.407 15.126 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.964 16.723 -1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.608 15.710 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.232 17.025 -1.779 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.182 17.516 0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.018 18.595 -0.038 1.00 0.00 H new ATOM 1258 N LYS A 83 6.220 15.307 1.676 1.00 0.00 N ATOM 1259 CA LYS A 83 5.610 14.178 2.371 1.00 0.00 C ATOM 1260 C LYS A 83 5.703 12.906 1.537 1.00 0.00 C ATOM 1261 O LYS A 83 5.931 12.954 0.329 1.00 0.00 O ATOM 1262 CB LYS A 83 4.147 14.482 2.700 1.00 0.00 C ATOM 1263 CG LYS A 83 3.374 15.080 1.536 1.00 0.00 C ATOM 1264 CD LYS A 83 1.890 14.765 1.633 1.00 0.00 C ATOM 1265 CE LYS A 83 1.040 15.931 1.153 1.00 0.00 C ATOM 1266 NZ LYS A 83 0.674 16.847 2.268 1.00 0.00 N ATOM 0 H LYS A 83 5.581 16.078 1.483 1.00 0.00 H new ATOM 0 HA LYS A 83 6.158 14.020 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.656 13.562 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.108 15.171 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.517 16.160 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.769 14.691 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.665 13.880 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.634 14.528 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.584 16.487 0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.133 15.550 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.095 17.628 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.132 16.323 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.539 17.231 2.700 1.00 0.00 H new ATOM 1280 N PRO A 84 5.540 11.745 2.189 1.00 0.00 N ATOM 1281 CA PRO A 84 5.617 10.437 1.542 1.00 0.00 C ATOM 1282 C PRO A 84 4.300 10.035 0.888 1.00 0.00 C ATOM 1283 O PRO A 84 3.228 10.472 1.308 1.00 0.00 O ATOM 1284 CB PRO A 84 5.954 9.489 2.711 1.00 0.00 C ATOM 1285 CG PRO A 84 6.074 10.364 3.925 1.00 0.00 C ATOM 1286 CD PRO A 84 5.288 11.597 3.619 1.00 0.00 C ATOM 0 HA PRO A 84 6.348 10.419 0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.174 8.740 2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.883 8.951 2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.683 9.861 4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.117 10.606 4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.228 11.475 3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.635 12.459 4.190 1.00 0.00 H new ATOM 1311 N ARG A 86 1.860 6.944 0.078 1.00 0.00 N ATOM 1312 CA ARG A 86 1.509 5.562 0.390 1.00 0.00 C ATOM 1313 C ARG A 86 0.172 5.189 -0.241 1.00 0.00 C ATOM 1314 O ARG A 86 -0.723 6.026 -0.353 1.00 0.00 O ATOM 1315 CB ARG A 86 1.439 5.366 1.906 1.00 0.00 C ATOM 1316 CG ARG A 86 2.615 5.974 2.656 1.00 0.00 C ATOM 1317 CD ARG A 86 2.169 6.656 3.941 1.00 0.00 C ATOM 1318 NE ARG A 86 2.707 5.995 5.128 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.978 6.082 5.514 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.845 6.798 4.809 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.384 5.450 6.607 1.00 0.00 N ATOM 0 HA ARG A 86 2.281 4.912 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.515 5.808 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.393 4.299 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.340 5.194 2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.120 6.697 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.491 7.697 3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.080 6.659 3.990 1.00 0.00 H new ATOM 0 HE ARG A 86 2.071 5.434 5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.539 7.285 3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.818 6.861 5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.722 4.897 7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.358 5.517 6.903 1.00 0.00 H new ATOM 1335 N HIS A 87 0.036 3.930 -0.648 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.199 3.463 -1.260 1.00 0.00 C ATOM 1337 C HIS A 87 -2.074 2.779 -0.219 1.00 0.00 C ATOM 1338 O HIS A 87 -1.723 1.721 0.300 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.886 2.503 -2.407 1.00 0.00 C ATOM 1340 CG HIS A 87 0.219 2.985 -3.294 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.008 3.799 -4.387 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.554 2.772 -3.236 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.167 4.066 -4.963 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.120 3.455 -4.284 1.00 0.00 N ATOM 0 H HIS A 87 0.763 3.220 -0.565 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.741 4.320 -1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.615 1.531 -1.995 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.785 2.356 -3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.077 2.176 -2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.310 4.680 -5.840 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.116 3.485 -4.503 1.00 0.00 H new ATOM 1353 N MET A 88 -3.207 3.396 0.095 1.00 0.00 N ATOM 1354 CA MET A 88 -4.121 2.849 1.090 1.00 0.00 C ATOM 1355 C MET A 88 -5.206 1.998 0.440 1.00 0.00 C ATOM 1356 O MET A 88 -5.995 2.487 -0.370 1.00 0.00 O ATOM 1357 CB MET A 88 -4.758 3.980 1.901 1.00 0.00 C ATOM 1358 CG MET A 88 -4.699 3.759 3.403 1.00 0.00 C ATOM 1359 SD MET A 88 -6.269 3.193 4.086 1.00 0.00 S ATOM 1360 CE MET A 88 -5.981 3.433 5.837 1.00 0.00 C ATOM 0 H MET A 88 -3.514 4.274 -0.324 1.00 0.00 H new ATOM 0 HA MET A 88 -3.544 2.209 1.757 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.255 4.917 1.660 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.799 4.090 1.599 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.924 3.026 3.628 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.409 4.689 3.892 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.865 3.127 6.396 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.127 2.833 6.151 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.775 4.486 6.031 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.242 0.723 0.810 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.232 -0.203 0.277 1.00 0.00 C ATOM 1372 C PHE A 89 -7.039 -0.834 1.407 1.00 0.00 C ATOM 1373 O PHE A 89 -6.493 -1.548 2.245 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.551 -1.296 -0.547 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.734 -0.774 -1.696 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.331 -0.478 -2.911 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.367 -0.587 -1.563 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.579 -0.004 -3.971 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.612 -0.114 -2.619 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.217 0.178 -3.824 1.00 0.00 C ATOM 0 H PHE A 89 -4.594 0.307 1.479 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.909 0.357 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.906 -1.882 0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.313 -1.973 -0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.395 -0.619 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.886 -0.814 -0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.056 0.224 -4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.548 0.027 -2.501 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.628 0.548 -4.650 1.00 0.00 H new ATOM 1390 N SER A 90 -8.341 -0.569 1.426 1.00 0.00 N ATOM 1391 CA SER A 90 -9.215 -1.117 2.457 1.00 0.00 C ATOM 1392 C SER A 90 -9.999 -2.307 1.919 1.00 0.00 C ATOM 1393 O SER A 90 -10.829 -2.161 1.021 1.00 0.00 O ATOM 1394 CB SER A 90 -10.184 -0.044 2.957 1.00 0.00 C ATOM 1395 OG SER A 90 -10.457 -0.202 4.338 1.00 0.00 O ATOM 0 H SER A 90 -8.814 0.021 0.741 1.00 0.00 H new ATOM 0 HA SER A 90 -8.593 -1.452 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.760 0.944 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.114 -0.099 2.391 1.00 0.00 H new ATOM 0 HG SER A 90 -9.891 0.408 4.855 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.730 -3.484 2.469 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.412 -4.699 2.036 1.00 0.00 C ATOM 1403 C PHE A 91 -11.637 -4.986 2.898 1.00 0.00 C ATOM 1404 O PHE A 91 -11.693 -4.601 4.066 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.453 -5.887 2.084 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.424 -5.864 0.994 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.400 -4.933 1.012 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.482 -6.774 -0.047 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.450 -4.910 0.011 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.535 -6.756 -1.053 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.516 -5.824 -1.023 1.00 0.00 C ATOM 0 H PHE A 91 -9.047 -3.624 3.213 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.747 -4.546 1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.948 -5.899 3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.027 -6.811 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.344 -4.217 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.276 -7.506 -0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.656 -4.178 0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.591 -7.470 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.772 -5.810 -1.806 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.614 -5.670 2.311 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.841 -6.020 3.019 1.00 0.00 C ATOM 1423 C ASN A 92 -13.903 -7.522 3.275 1.00 0.00 C ATOM 1424 O ASN A 92 -14.984 -8.105 3.362 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.063 -5.576 2.213 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.530 -4.185 2.590 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.081 -3.973 3.671 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.313 -3.225 1.699 1.00 0.00 N ATOM 0 H ASN A 92 -12.580 -5.994 1.344 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.843 -5.503 3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.822 -5.600 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.876 -6.284 2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.606 -2.269 1.898 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.853 -3.444 0.815 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.733 -8.143 3.393 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.643 -9.577 3.636 1.00 0.00 C ATOM 1437 C ASN A 93 -11.205 -9.982 3.932 1.00 0.00 C ATOM 1438 O ASN A 93 -10.341 -9.925 3.056 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.169 -10.355 2.428 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.613 -10.779 2.595 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.207 -10.604 3.659 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.188 -11.343 1.539 1.00 0.00 N ATOM 0 H ASN A 93 -11.831 -7.672 3.324 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.257 -9.816 4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.076 -9.738 1.534 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.550 -11.238 2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.159 -11.650 1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.658 -11.469 0.676 1.00 0.00 H new ATOM 1449 N ARG A 94 -10.956 -10.394 5.170 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.621 -10.814 5.580 1.00 0.00 C ATOM 1451 C ARG A 94 -9.101 -11.927 4.680 1.00 0.00 C ATOM 1452 O ARG A 94 -7.898 -12.177 4.617 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.633 -11.281 7.037 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.269 -11.722 7.546 1.00 0.00 C ATOM 1455 CD ARG A 94 -7.831 -10.905 8.752 1.00 0.00 C ATOM 1456 NE ARG A 94 -8.838 -10.908 9.811 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.053 -11.937 10.627 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -8.334 -13.047 10.509 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -9.988 -11.858 11.563 1.00 0.00 N ATOM 0 H ARG A 94 -11.660 -10.446 5.906 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.954 -9.957 5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.002 -10.471 7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.335 -12.109 7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.304 -12.778 7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.532 -11.620 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.895 -11.306 9.141 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.634 -9.879 8.442 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.410 -10.072 9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.613 -13.114 9.791 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.503 -13.833 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.544 -11.008 11.658 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.152 -12.647 12.188 1.00 0.00 H new ATOM 1473 N THR A 95 -10.012 -12.596 3.983 1.00 0.00 N ATOM 1474 CA THR A 95 -9.650 -13.669 3.093 1.00 0.00 C ATOM 1475 C THR A 95 -8.925 -13.130 1.868 1.00 0.00 C ATOM 1476 O THR A 95 -7.872 -13.639 1.484 1.00 0.00 O ATOM 1477 CB THR A 95 -10.908 -14.413 2.688 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.981 -14.102 3.559 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.740 -15.908 2.690 1.00 0.00 C ATOM 0 H THR A 95 -11.013 -12.404 4.025 1.00 0.00 H new ATOM 0 HA THR A 95 -8.971 -14.352 3.603 1.00 0.00 H new ATOM 0 HB THR A 95 -11.120 -14.086 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.782 -14.591 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.676 -16.380 2.391 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.953 -16.187 1.989 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.469 -16.242 3.691 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.483 -12.086 1.268 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.866 -11.470 0.098 1.00 0.00 C ATOM 1489 C VAL A 96 -7.555 -10.823 0.502 1.00 0.00 C ATOM 1490 O VAL A 96 -6.531 -10.993 -0.160 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.760 -10.398 -0.567 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.688 -10.511 -2.081 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.199 -10.497 -0.087 1.00 0.00 C ATOM 0 H VAL A 96 -10.355 -11.650 1.568 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.710 -12.266 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.383 -9.419 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.323 -9.749 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.658 -10.366 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.031 -11.499 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.799 -9.729 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.598 -11.481 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.233 -10.353 0.993 1.00 0.00 H new ATOM 1503 N MET A 97 -7.595 -10.088 1.608 1.00 0.00 N ATOM 1504 CA MET A 97 -6.406 -9.423 2.117 1.00 0.00 C ATOM 1505 C MET A 97 -5.358 -10.459 2.506 1.00 0.00 C ATOM 1506 O MET A 97 -4.163 -10.251 2.312 1.00 0.00 O ATOM 1507 CB MET A 97 -6.762 -8.525 3.308 1.00 0.00 C ATOM 1508 CG MET A 97 -6.705 -9.220 4.659 1.00 0.00 C ATOM 1509 SD MET A 97 -5.101 -9.042 5.462 1.00 0.00 S ATOM 1510 CE MET A 97 -5.575 -8.134 6.928 1.00 0.00 C ATOM 0 H MET A 97 -8.436 -9.939 2.166 1.00 0.00 H new ATOM 0 HA MET A 97 -5.990 -8.790 1.334 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.081 -7.674 3.322 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.766 -8.127 3.160 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.479 -8.810 5.307 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.926 -10.279 4.528 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.006 -8.500 7.783 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.369 -7.074 6.782 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.640 -8.274 7.114 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.820 -11.587 3.042 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.918 -12.659 3.438 1.00 0.00 C ATOM 1522 C ASP A 98 -4.179 -13.195 2.221 1.00 0.00 C ATOM 1523 O ASP A 98 -3.015 -13.585 2.304 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.690 -13.787 4.123 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.783 -13.596 5.625 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.880 -12.950 6.198 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.757 -14.093 6.228 1.00 0.00 O ATOM 0 H ASP A 98 -6.808 -11.779 3.210 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.193 -12.257 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.695 -13.843 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.203 -14.738 3.910 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.869 -13.196 1.088 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.295 -13.667 -0.167 1.00 0.00 C ATOM 1534 C ASN A 99 -3.451 -12.573 -0.813 1.00 0.00 C ATOM 1535 O ASN A 99 -2.426 -12.848 -1.436 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.402 -14.109 -1.125 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.380 -15.068 -0.476 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.991 -15.937 0.303 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.661 -14.912 -0.795 1.00 0.00 N ATOM 0 H ASN A 99 -5.834 -12.874 1.012 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.653 -14.521 0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.941 -13.232 -1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.955 -14.586 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.366 -15.527 -0.389 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.939 -14.177 -1.446 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.891 -11.329 -0.653 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.182 -10.183 -1.211 1.00 0.00 C ATOM 1548 C ILE A 100 -1.950 -9.853 -0.377 1.00 0.00 C ATOM 1549 O ILE A 100 -0.823 -9.874 -0.874 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.097 -8.942 -1.268 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.232 -9.165 -2.269 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.299 -7.691 -1.621 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.823 -8.959 -3.711 1.00 0.00 C ATOM 0 H ILE A 100 -4.739 -11.088 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.875 -10.449 -2.222 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.532 -8.791 -0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.614 -10.179 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.051 -8.486 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.967 -6.831 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.531 -7.524 -0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.828 -7.823 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.680 -9.135 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.469 -7.937 -3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.025 -9.656 -3.966 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.179 -9.548 0.894 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.101 -9.207 1.814 1.00 0.00 C ATOM 1567 C LYS A 101 -0.001 -10.264 1.789 1.00 0.00 C ATOM 1568 O LYS A 101 1.168 -9.963 2.031 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.652 -9.077 3.234 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.594 -8.717 4.266 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.688 -9.605 5.497 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.037 -9.465 6.183 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.932 -9.649 7.657 1.00 0.00 N ATOM 0 H LYS A 101 -3.109 -9.530 1.314 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.673 -8.256 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.432 -8.315 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.122 -10.018 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.397 -8.814 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.711 -7.674 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.531 -10.645 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.106 -9.344 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.453 -8.480 5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.730 -10.200 5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.873 -9.546 8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.559 -10.598 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.290 -8.932 8.052 1.00 0.00 H new ATOM 1587 N MET A 102 -0.384 -11.505 1.503 1.00 0.00 N ATOM 1588 CA MET A 102 0.570 -12.604 1.455 1.00 0.00 C ATOM 1589 C MET A 102 1.280 -12.648 0.112 1.00 0.00 C ATOM 1590 O MET A 102 2.474 -12.935 0.040 1.00 0.00 O ATOM 1591 CB MET A 102 -0.134 -13.939 1.730 1.00 0.00 C ATOM 1592 CG MET A 102 -0.936 -14.482 0.554 1.00 0.00 C ATOM 1593 SD MET A 102 -1.385 -16.216 0.761 1.00 0.00 S ATOM 1594 CE MET A 102 -2.147 -16.186 2.383 1.00 0.00 C ATOM 0 H MET A 102 -1.347 -11.773 1.301 1.00 0.00 H new ATOM 0 HA MET A 102 1.317 -12.437 2.231 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.614 -14.678 2.016 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.801 -13.815 2.583 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.842 -13.888 0.432 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.355 -14.368 -0.361 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.234 -17.204 2.763 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.532 -15.596 3.063 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.139 -15.740 2.311 1.00 0.00 H new ATOM 1604 N THR A 103 0.541 -12.359 -0.953 1.00 0.00 N ATOM 1605 CA THR A 103 1.110 -12.368 -2.282 1.00 0.00 C ATOM 1606 C THR A 103 2.068 -11.192 -2.448 1.00 0.00 C ATOM 1607 O THR A 103 3.153 -11.339 -3.006 1.00 0.00 O ATOM 1608 CB THR A 103 -0.007 -12.332 -3.329 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.287 -13.636 -3.806 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.311 -11.469 -4.525 1.00 0.00 C ATOM 0 H THR A 103 -0.449 -12.117 -0.916 1.00 0.00 H new ATOM 0 HA THR A 103 1.678 -13.287 -2.428 1.00 0.00 H new ATOM 0 HB THR A 103 -0.866 -11.902 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.004 -13.594 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.526 -11.492 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.483 -10.443 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.206 -11.847 -5.019 1.00 0.00 H new ATOM 1618 N LEU A 104 1.668 -10.027 -1.943 1.00 0.00 N ATOM 1619 CA LEU A 104 2.506 -8.837 -2.024 1.00 0.00 C ATOM 1620 C LEU A 104 3.875 -9.120 -1.414 1.00 0.00 C ATOM 1621 O LEU A 104 4.909 -8.884 -2.039 1.00 0.00 O ATOM 1622 CB LEU A 104 1.850 -7.659 -1.292 1.00 0.00 C ATOM 1623 CG LEU A 104 0.541 -7.148 -1.900 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.259 -6.373 -0.864 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.813 -6.271 -3.110 1.00 0.00 C ATOM 0 H LEU A 104 0.773 -9.884 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 104 2.624 -8.573 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.659 -7.956 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.561 -6.834 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.041 -8.011 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.186 -6.017 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.490 -7.024 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.326 -5.522 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.132 -5.920 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.418 -5.415 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.348 -6.848 -3.864 1.00 0.00 H new ATOM 1637 N GLN A 105 3.863 -9.635 -0.187 1.00 0.00 N ATOM 1638 CA GLN A 105 5.092 -9.961 0.530 1.00 0.00 C ATOM 1639 C GLN A 105 5.903 -11.022 -0.214 1.00 0.00 C ATOM 1640 O GLN A 105 7.116 -10.889 -0.370 1.00 0.00 O ATOM 1641 CB GLN A 105 4.761 -10.460 1.938 1.00 0.00 C ATOM 1642 CG GLN A 105 5.173 -9.499 3.037 1.00 0.00 C ATOM 1643 CD GLN A 105 4.197 -9.496 4.196 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.549 -9.858 5.319 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.961 -9.090 3.926 1.00 0.00 N ATOM 0 H GLN A 105 3.009 -9.836 0.334 1.00 0.00 H new ATOM 0 HA GLN A 105 5.693 -9.054 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.688 -10.640 2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.256 -11.418 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.164 -9.770 3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.249 -8.492 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.715 -8.799 2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.258 -9.069 4.665 1.00 0.00 H new ATOM 1654 N GLN A 106 5.225 -12.078 -0.663 1.00 0.00 N ATOM 1655 CA GLN A 106 5.888 -13.166 -1.383 1.00 0.00 C ATOM 1656 C GLN A 106 6.813 -12.618 -2.462 1.00 0.00 C ATOM 1657 O GLN A 106 7.872 -13.182 -2.739 1.00 0.00 O ATOM 1658 CB GLN A 106 4.851 -14.099 -2.009 1.00 0.00 C ATOM 1659 CG GLN A 106 4.355 -15.180 -1.062 1.00 0.00 C ATOM 1660 CD GLN A 106 3.370 -16.125 -1.723 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.184 -16.135 -1.393 1.00 0.00 O ATOM 1662 NE2 GLN A 106 3.858 -16.928 -2.660 1.00 0.00 N ATOM 0 H GLN A 106 4.220 -12.204 -0.542 1.00 0.00 H new ATOM 0 HA GLN A 106 6.487 -13.730 -0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.001 -13.508 -2.349 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.284 -14.571 -2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.206 -15.750 -0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.881 -14.713 -0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.848 -16.886 -2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.243 -17.587 -3.138 1.00 0.00 H new ATOM 1671 N ILE A 107 6.409 -11.505 -3.058 1.00 0.00 N ATOM 1672 CA ILE A 107 7.195 -10.857 -4.097 1.00 0.00 C ATOM 1673 C ILE A 107 8.226 -9.927 -3.475 1.00 0.00 C ATOM 1674 O ILE A 107 9.417 -10.011 -3.772 1.00 0.00 O ATOM 1675 CB ILE A 107 6.299 -10.061 -5.057 1.00 0.00 C ATOM 1676 CG1 ILE A 107 5.063 -10.878 -5.444 1.00 0.00 C ATOM 1677 CG2 ILE A 107 7.088 -9.675 -6.289 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.958 -10.048 -6.058 1.00 0.00 C ATOM 0 H ILE A 107 5.534 -11.029 -2.837 1.00 0.00 H new ATOM 0 HA ILE A 107 7.703 -11.637 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 107 5.960 -9.155 -4.555 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.357 -11.655 -6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.678 -11.382 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.449 -9.110 -6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.940 -9.061 -5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.444 -10.575 -6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.115 -10.692 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.636 -9.288 -5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.326 -9.565 -6.963 1.00 0.00 H new ATOM 1690 N ILE A 108 7.755 -9.047 -2.601 1.00 0.00 N ATOM 1691 CA ILE A 108 8.626 -8.096 -1.909 1.00 0.00 C ATOM 1692 C ILE A 108 9.911 -8.756 -1.443 1.00 0.00 C ATOM 1693 O ILE A 108 11.008 -8.335 -1.801 1.00 0.00 O ATOM 1694 CB ILE A 108 7.930 -7.472 -0.683 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.553 -6.917 -1.078 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.820 -6.398 -0.064 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.302 -5.482 -0.656 1.00 0.00 C ATOM 0 H ILE A 108 6.769 -8.969 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 108 8.856 -7.314 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 108 7.769 -8.242 0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.445 -6.987 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.782 -7.550 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.319 -5.964 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.764 -6.844 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.014 -5.618 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.306 -5.177 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.373 -5.404 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.046 -4.832 -1.116 1.00 0.00 H new ATOM 1709 N SER A 109 9.757 -9.792 -0.641 1.00 0.00 N ATOM 1710 CA SER A 109 10.896 -10.533 -0.106 1.00 0.00 C ATOM 1711 C SER A 109 11.903 -10.870 -1.201 1.00 0.00 C ATOM 1712 O SER A 109 13.092 -11.042 -0.931 1.00 0.00 O ATOM 1713 CB SER A 109 10.421 -11.814 0.582 1.00 0.00 C ATOM 1714 OG SER A 109 9.164 -12.229 0.077 1.00 0.00 O ATOM 0 H SER A 109 8.849 -10.146 -0.340 1.00 0.00 H new ATOM 0 HA SER A 109 11.393 -9.897 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.156 -12.605 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.347 -11.647 1.657 1.00 0.00 H new ATOM 0 HG SER A 109 8.451 -11.717 0.513 1.00 0.00 H new ATOM 1720 N ARG A 110 11.423 -10.960 -2.434 1.00 0.00 N ATOM 1721 CA ARG A 110 12.285 -11.273 -3.564 1.00 0.00 C ATOM 1722 C ARG A 110 13.126 -10.058 -3.963 1.00 0.00 C ATOM 1723 O ARG A 110 14.202 -10.207 -4.535 1.00 0.00 O ATOM 1724 CB ARG A 110 11.455 -11.805 -4.748 1.00 0.00 C ATOM 1725 CG ARG A 110 11.664 -11.067 -6.063 1.00 0.00 C ATOM 1726 CD ARG A 110 11.071 -11.833 -7.236 1.00 0.00 C ATOM 1727 NE ARG A 110 11.760 -13.101 -7.470 1.00 0.00 N ATOM 1728 CZ ARG A 110 11.396 -14.260 -6.922 1.00 0.00 C ATOM 1729 NH1 ARG A 110 10.359 -14.320 -6.095 1.00 0.00 N ATOM 1730 NH2 ARG A 110 12.075 -15.365 -7.199 1.00 0.00 N ATOM 0 H ARG A 110 10.442 -10.821 -2.676 1.00 0.00 H new ATOM 0 HA ARG A 110 12.976 -12.061 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 110 11.696 -12.858 -4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 110 10.399 -11.754 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 110 11.206 -10.080 -6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.730 -10.914 -6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 110 10.015 -12.025 -7.046 1.00 0.00 H new ATOM 0 HD3 ARG A 110 11.127 -11.219 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 110 12.569 -13.098 -8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.833 -13.474 -5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.088 -15.212 -5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.875 -15.327 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 110 11.797 -16.253 -6.780 1.00 0.00 H new ATOM 1744 N TYR A 111 12.639 -8.861 -3.644 1.00 0.00 N ATOM 1745 CA TYR A 111 13.370 -7.637 -3.964 1.00 0.00 C ATOM 1746 C TYR A 111 14.555 -7.499 -3.024 1.00 0.00 C ATOM 1747 O TYR A 111 15.620 -7.015 -3.408 1.00 0.00 O ATOM 1748 CB TYR A 111 12.489 -6.384 -3.843 1.00 0.00 C ATOM 1749 CG TYR A 111 11.037 -6.556 -4.248 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.610 -7.644 -5.000 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.089 -5.613 -3.866 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.287 -7.787 -5.355 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.761 -5.750 -4.220 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.365 -6.838 -4.963 1.00 0.00 C ATOM 1755 OH TYR A 111 7.044 -6.979 -5.312 1.00 0.00 O ATOM 0 H TYR A 111 11.749 -8.713 -3.168 1.00 0.00 H new ATOM 0 HA TYR A 111 13.702 -7.715 -4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.520 -6.040 -2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.926 -5.595 -4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.327 -8.389 -5.311 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.397 -4.758 -3.282 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.972 -8.639 -5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.038 -5.008 -3.915 1.00 0.00 H new ATOM 0 HH TYR A 111 6.506 -7.125 -4.506 1.00 0.00 H new ATOM 1765 N LYS A 112 14.360 -7.950 -1.790 1.00 0.00 N ATOM 1766 CA LYS A 112 15.406 -7.905 -0.784 1.00 0.00 C ATOM 1767 C LYS A 112 16.296 -9.101 -0.988 1.00 0.00 C ATOM 1768 O LYS A 112 17.524 -9.010 -0.967 1.00 0.00 O ATOM 1769 CB LYS A 112 14.847 -7.914 0.646 1.00 0.00 C ATOM 1770 CG LYS A 112 13.365 -8.197 0.719 1.00 0.00 C ATOM 1771 CD LYS A 112 12.585 -7.072 0.085 1.00 0.00 C ATOM 1772 CE LYS A 112 12.673 -5.808 0.905 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.446 -4.974 0.785 1.00 0.00 N ATOM 0 H LYS A 112 13.481 -8.352 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 112 15.959 -6.973 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.380 -8.664 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.046 -6.948 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.142 -9.135 0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.062 -8.318 1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.967 -6.883 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.541 -7.366 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.834 -6.066 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.538 -5.228 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.677 -3.983 1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.075 -5.040 -0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.727 -5.315 1.455 1.00 0.00 H new ATOM 1787 N ASP A 113 15.639 -10.223 -1.226 1.00 0.00 N ATOM 1788 CA ASP A 113 16.332 -11.471 -1.487 1.00 0.00 C ATOM 1789 C ASP A 113 17.163 -11.321 -2.748 1.00 0.00 C ATOM 1790 O ASP A 113 18.241 -11.903 -2.877 1.00 0.00 O ATOM 1791 CB ASP A 113 15.337 -12.624 -1.639 1.00 0.00 C ATOM 1792 CG ASP A 113 16.023 -13.975 -1.696 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.974 -14.192 -0.917 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.608 -14.817 -2.521 1.00 0.00 O ATOM 0 H ASP A 113 14.622 -10.294 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 113 16.984 -11.702 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.638 -12.610 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.752 -12.478 -2.547 1.00 0.00 H new ATOM 1799 N ALA A 114 16.657 -10.507 -3.668 1.00 0.00 N ATOM 1800 CA ALA A 114 17.348 -10.241 -4.915 1.00 0.00 C ATOM 1801 C ALA A 114 18.224 -8.999 -4.789 1.00 0.00 C ATOM 1802 O ALA A 114 19.137 -8.788 -5.587 1.00 0.00 O ATOM 1803 CB ALA A 114 16.358 -10.080 -6.059 1.00 0.00 C ATOM 0 H ALA A 114 15.766 -10.020 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 114 17.989 -11.095 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.900 -9.881 -6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.777 -10.995 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.687 -9.248 -5.845 1.00 0.00 H new