USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1042 hydrogens (27 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 114 SER OG : rot 122:sc= 0.107 USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= 0.11 USER MOD Set 2.1: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Set 3.1: A 47 GLN : amide:sc= -0.167! K(o=-0.16!,f=-2.8) USER MOD Set 3.2: A 106 THR OG1 : rot -79:sc= 0.0101! USER MOD Set 4.1: A 96 ASN : amide:sc= -15.6! C(o=-17!,f=-36!) USER MOD Set 4.2: A 98 GLN : amide:sc= -1.71! C(o=-17!,f=-24!) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 6 SER OG : rot -73:sc= 0.0488 USER MOD Single : A 7 GLN : amide:sc= -0.0811 X(o=-0.081,f=-0.27) USER MOD Single : A 8 HIS : no HD1:sc= 0.0271 K(o=0.027,f=-7.5!) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0277 USER MOD Single : A 14 GLN : amide:sc= -0.261 K(o=-0.26,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ -104:sc= -8.25! (180deg=-8.6!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0497 (180deg=-0.604) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= -1.08 (180deg=-1.12) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000404) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 42 CYS SG : rot 22:sc= -0.905! USER MOD Single : A 50 THR OG1 : rot -100:sc= -2.03 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 79:sc= -0.0161! USER MOD Single : A 64 GLN : amide:sc= -0.0227 K(o=-0.023,f=-1.7!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.98! C(o=-2!,f=-3.6!) USER MOD Single : A 69 THR OG1 : rot -50:sc= 0.0324 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00355 USER MOD Single : A 81 SER OG : rot -26:sc= 0.524 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.125 K(o=-0.13,f=-2.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -150:sc= -0.149 (180deg=-0.977) USER MOD Single : A 105 GLN : amide:sc= -0.308 K(o=-0.31,f=-1.3!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc=-0.00419 K(o=-0.0042,f=-0.98) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.38) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 118.166 10.435 1.146 1.00 0.00 C HETATM 2 O1 MYR A 1 117.447 11.392 1.435 1.00 0.00 O HETATM 3 C2 MYR A 1 117.674 9.156 1.436 1.00 0.00 C HETATM 4 C3 MYR A 1 116.228 8.985 0.952 1.00 0.00 C HETATM 5 C4 MYR A 1 115.370 8.292 2.004 1.00 0.00 C HETATM 6 C5 MYR A 1 113.888 8.351 1.655 1.00 0.00 C HETATM 7 C6 MYR A 1 113.095 7.312 2.449 1.00 0.00 C HETATM 8 C7 MYR A 1 112.036 7.900 3.391 1.00 0.00 C HETATM 9 C8 MYR A 1 111.603 6.982 4.542 1.00 0.00 C HETATM 10 C9 MYR A 1 111.244 5.546 4.119 1.00 0.00 C HETATM 11 C10 MYR A 1 109.737 5.267 4.188 1.00 0.00 C HETATM 12 C11 MYR A 1 109.387 3.797 3.902 1.00 0.00 C HETATM 13 C12 MYR A 1 107.892 3.535 4.085 1.00 0.00 C HETATM 14 C13 MYR A 1 107.371 2.533 3.053 1.00 0.00 C HETATM 15 C14 MYR A 1 105.984 2.024 3.421 1.00 0.00 C HETATM 0 H143 MYR A 1 106.023 1.530 4.392 1.00 0.00 H new HETATM 0 H142 MYR A 1 105.289 2.863 3.469 1.00 0.00 H new HETATM 0 H141 MYR A 1 105.645 1.314 2.666 1.00 0.00 H new HETATM 0 H132 MYR A 1 107.338 3.005 2.071 1.00 0.00 H new HETATM 0 H131 MYR A 1 108.061 1.692 2.980 1.00 0.00 H new HETATM 0 H122 MYR A 1 107.708 3.154 5.090 1.00 0.00 H new HETATM 0 H121 MYR A 1 107.343 4.472 3.994 1.00 0.00 H new HETATM 0 H112 MYR A 1 109.681 3.543 2.884 1.00 0.00 H new HETATM 0 H111 MYR A 1 109.956 3.149 4.569 1.00 0.00 H new HETATM 0 H102 MYR A 1 109.367 5.537 5.177 1.00 0.00 H new HETATM 0 H101 MYR A 1 109.221 5.904 3.470 1.00 0.00 H new HETATM 0 H92 MYR A 1 111.595 5.373 3.102 1.00 0.00 H new HETATM 0 H91 MYR A 1 111.770 4.840 4.762 1.00 0.00 H new HETATM 0 H82 MYR A 1 112.407 6.940 5.277 1.00 0.00 H new HETATM 0 H81 MYR A 1 110.740 7.426 5.038 1.00 0.00 H new HETATM 0 H72 MYR A 1 112.423 8.827 3.813 1.00 0.00 H new HETATM 0 H71 MYR A 1 111.155 8.160 2.804 1.00 0.00 H new HETATM 0 H62 MYR A 1 112.604 6.636 1.749 1.00 0.00 H new HETATM 0 H61 MYR A 1 113.792 6.713 3.035 1.00 0.00 H new HETATM 0 H52 MYR A 1 113.501 9.348 1.866 1.00 0.00 H new HETATM 0 H51 MYR A 1 113.755 8.177 0.587 1.00 0.00 H new HETATM 0 H42 MYR A 1 115.680 7.251 2.098 1.00 0.00 H new HETATM 0 H41 MYR A 1 115.534 8.762 2.974 1.00 0.00 H new HETATM 0 H32 MYR A 1 115.803 9.961 0.718 1.00 0.00 H new HETATM 0 H31 MYR A 1 116.217 8.403 0.030 1.00 0.00 H new HETATM 0 H22 MYR A 1 118.308 8.406 0.963 1.00 0.00 H new HETATM 0 H21 MYR A 1 117.722 8.982 2.511 1.00 0.00 H new ATOM 43 N GLY A 2 119.445 10.357 1.496 1.00 0.00 N ATOM 44 CA GLY A 2 120.086 11.428 2.250 1.00 0.00 C ATOM 45 C GLY A 2 119.601 11.444 3.695 1.00 0.00 C ATOM 46 O GLY A 2 119.460 10.396 4.323 1.00 0.00 O ATOM 0 HA2 GLY A 2 121.168 11.297 2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 2 119.871 12.388 1.780 1.00 0.00 H new ATOM 50 N GLN A 3 119.347 12.641 4.215 1.00 0.00 N ATOM 51 CA GLN A 3 118.880 12.781 5.590 1.00 0.00 C ATOM 52 C GLN A 3 117.490 12.173 5.748 1.00 0.00 C ATOM 53 O GLN A 3 117.160 11.618 6.796 1.00 0.00 O ATOM 54 CB GLN A 3 118.839 14.261 5.979 1.00 0.00 C ATOM 55 CG GLN A 3 120.266 14.796 6.102 1.00 0.00 C ATOM 56 CD GLN A 3 120.239 16.294 6.388 1.00 0.00 C ATOM 57 OE1 GLN A 3 119.169 16.867 6.595 1.00 0.00 O ATOM 58 NE2 GLN A 3 121.358 16.965 6.413 1.00 0.00 N ATOM 0 H GLN A 3 119.455 13.521 3.710 1.00 0.00 H new ATOM 0 HA GLN A 3 119.572 12.252 6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 3 118.289 14.830 5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 3 118.310 14.385 6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 3 120.791 14.274 6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 3 120.816 14.603 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 3 122.243 16.488 6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 3 121.348 17.967 6.604 1.00 0.00 H new ATOM 67 N GLU A 4 116.680 12.281 4.700 1.00 0.00 N ATOM 68 CA GLU A 4 115.325 11.741 4.735 1.00 0.00 C ATOM 69 C GLU A 4 115.312 10.370 5.403 1.00 0.00 C ATOM 70 O GLU A 4 114.279 9.920 5.898 1.00 0.00 O ATOM 71 CB GLU A 4 114.772 11.624 3.313 1.00 0.00 C ATOM 72 CG GLU A 4 114.510 13.022 2.750 1.00 0.00 C ATOM 73 CD GLU A 4 113.966 12.918 1.329 1.00 0.00 C ATOM 74 OE1 GLU A 4 113.767 13.953 0.715 1.00 0.00 O ATOM 75 OE2 GLU A 4 113.755 11.805 0.877 1.00 0.00 O ATOM 0 H GLU A 4 116.935 12.734 3.822 1.00 0.00 H new ATOM 0 HA GLU A 4 114.698 12.420 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 4 115.481 11.092 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 4 113.850 11.043 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 4 113.797 13.550 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 4 115.432 13.603 2.754 1.00 0.00 H new ATOM 82 N LEU A 5 116.466 9.711 5.413 1.00 0.00 N ATOM 83 CA LEU A 5 116.575 8.392 6.024 1.00 0.00 C ATOM 84 C LEU A 5 115.906 8.379 7.394 1.00 0.00 C ATOM 85 O LEU A 5 115.333 7.369 7.807 1.00 0.00 O ATOM 86 CB LEU A 5 118.049 8.005 6.171 1.00 0.00 C ATOM 87 CG LEU A 5 118.152 6.542 6.604 1.00 0.00 C ATOM 88 CD1 LEU A 5 117.674 5.637 5.467 1.00 0.00 C ATOM 89 CD2 LEU A 5 119.608 6.211 6.939 1.00 0.00 C ATOM 0 H LEU A 5 117.333 10.065 5.008 1.00 0.00 H new ATOM 0 HA LEU A 5 116.072 7.671 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 5 118.571 8.153 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 5 118.533 8.648 6.906 1.00 0.00 H new ATOM 0 HG LEU A 5 117.529 6.380 7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 5 117.748 4.594 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 5 116.637 5.872 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 5 118.296 5.799 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 5 119.682 5.168 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 5 120.230 6.374 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.950 6.855 7.749 1.00 0.00 H new ATOM 101 N SER A 6 115.980 9.506 8.094 1.00 0.00 N ATOM 102 CA SER A 6 115.378 9.612 9.418 1.00 0.00 C ATOM 103 C SER A 6 113.892 9.270 9.360 1.00 0.00 C ATOM 104 O SER A 6 113.341 8.696 10.299 1.00 0.00 O ATOM 105 CB SER A 6 115.556 11.030 9.960 1.00 0.00 C ATOM 106 OG SER A 6 114.931 11.952 9.078 1.00 0.00 O ATOM 0 H SER A 6 116.447 10.353 7.770 1.00 0.00 H new ATOM 0 HA SER A 6 115.876 8.905 10.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 115.119 11.109 10.956 1.00 0.00 H new ATOM 0 HB3 SER A 6 116.616 11.264 10.058 1.00 0.00 H new ATOM 0 HG SER A 6 115.468 12.040 8.263 1.00 0.00 H new ATOM 112 N GLN A 7 113.251 9.629 8.253 1.00 0.00 N ATOM 113 CA GLN A 7 111.831 9.345 8.079 1.00 0.00 C ATOM 114 C GLN A 7 111.563 7.850 8.210 1.00 0.00 C ATOM 115 O GLN A 7 110.586 7.436 8.834 1.00 0.00 O ATOM 116 CB GLN A 7 111.366 9.830 6.704 1.00 0.00 C ATOM 117 CG GLN A 7 111.415 11.359 6.658 1.00 0.00 C ATOM 118 CD GLN A 7 110.949 11.854 5.294 1.00 0.00 C ATOM 119 OE1 GLN A 7 109.921 11.404 4.787 1.00 0.00 O ATOM 120 NE2 GLN A 7 111.646 12.761 4.665 1.00 0.00 N ATOM 0 H GLN A 7 113.688 10.113 7.469 1.00 0.00 H new ATOM 0 HA GLN A 7 111.277 9.871 8.856 1.00 0.00 H new ATOM 0 HB2 GLN A 7 112.003 9.412 5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 7 110.352 9.482 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 7 110.781 11.775 7.441 1.00 0.00 H new ATOM 0 HG3 GLN A 7 112.430 11.705 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 7 112.497 13.133 5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 7 111.339 13.098 3.752 1.00 0.00 H new ATOM 129 N HIS A 8 112.438 7.043 7.617 1.00 0.00 N ATOM 130 CA HIS A 8 112.291 5.593 7.682 1.00 0.00 C ATOM 131 C HIS A 8 112.308 5.117 9.131 1.00 0.00 C ATOM 132 O HIS A 8 111.431 4.367 9.559 1.00 0.00 O ATOM 133 CB HIS A 8 113.423 4.917 6.907 1.00 0.00 C ATOM 134 CG HIS A 8 113.194 3.432 6.878 1.00 0.00 C ATOM 135 ND1 HIS A 8 112.192 2.852 6.114 1.00 0.00 N ATOM 136 CD2 HIS A 8 113.829 2.393 7.512 1.00 0.00 C ATOM 137 CE1 HIS A 8 112.253 1.522 6.307 1.00 0.00 C ATOM 138 NE2 HIS A 8 113.233 1.188 7.150 1.00 0.00 N ATOM 0 H HIS A 8 113.250 7.365 7.090 1.00 0.00 H new ATOM 0 HA HIS A 8 111.334 5.324 7.234 1.00 0.00 H new ATOM 0 HB2 HIS A 8 113.467 5.309 5.891 1.00 0.00 H new ATOM 0 HB3 HIS A 8 114.382 5.139 7.376 1.00 0.00 H new ATOM 0 HD2 HIS A 8 114.664 2.495 8.189 1.00 0.00 H new ATOM 0 HE1 HIS A 8 111.590 0.811 5.837 1.00 0.00 H new ATOM 0 HE2 HIS A 8 113.490 0.251 7.462 1.00 0.00 H new ATOM 147 N GLU A 9 113.313 5.558 9.881 1.00 0.00 N ATOM 148 CA GLU A 9 113.426 5.183 11.286 1.00 0.00 C ATOM 149 C GLU A 9 112.103 5.409 12.009 1.00 0.00 C ATOM 150 O GLU A 9 111.741 4.653 12.912 1.00 0.00 O ATOM 151 CB GLU A 9 114.525 6.008 11.960 1.00 0.00 C ATOM 152 CG GLU A 9 115.886 5.613 11.384 1.00 0.00 C ATOM 153 CD GLU A 9 116.979 6.496 11.976 1.00 0.00 C ATOM 154 OE1 GLU A 9 118.123 6.330 11.587 1.00 0.00 O ATOM 155 OE2 GLU A 9 116.656 7.326 12.808 1.00 0.00 O ATOM 0 H GLU A 9 114.055 6.170 9.543 1.00 0.00 H new ATOM 0 HA GLU A 9 113.681 4.125 11.341 1.00 0.00 H new ATOM 0 HB2 GLU A 9 114.346 7.071 11.801 1.00 0.00 H new ATOM 0 HB3 GLU A 9 114.512 5.840 13.037 1.00 0.00 H new ATOM 0 HG2 GLU A 9 116.094 4.566 11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 9 115.874 5.714 10.299 1.00 0.00 H new ATOM 162 N ARG A 10 111.385 6.453 11.607 1.00 0.00 N ATOM 163 CA ARG A 10 110.097 6.763 12.218 1.00 0.00 C ATOM 164 C ARG A 10 109.015 5.826 11.691 1.00 0.00 C ATOM 165 O ARG A 10 108.293 5.197 12.466 1.00 0.00 O ATOM 166 CB ARG A 10 109.711 8.212 11.917 1.00 0.00 C ATOM 167 CG ARG A 10 110.794 9.150 12.453 1.00 0.00 C ATOM 168 CD ARG A 10 110.435 10.596 12.105 1.00 0.00 C ATOM 169 NE ARG A 10 111.441 11.508 12.637 1.00 0.00 N ATOM 170 CZ ARG A 10 111.422 12.803 12.336 1.00 0.00 C ATOM 171 NH1 ARG A 10 112.333 13.599 12.825 1.00 0.00 N ATOM 172 NH2 ARG A 10 110.494 13.277 11.551 1.00 0.00 N ATOM 0 H ARG A 10 111.670 7.094 10.867 1.00 0.00 H new ATOM 0 HA ARG A 10 110.185 6.628 13.296 1.00 0.00 H new ATOM 0 HB2 ARG A 10 109.593 8.352 10.843 1.00 0.00 H new ATOM 0 HB3 ARG A 10 108.751 8.447 12.377 1.00 0.00 H new ATOM 0 HG2 ARG A 10 110.886 9.037 13.533 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.761 8.890 12.022 1.00 0.00 H new ATOM 0 HD2 ARG A 10 110.366 10.711 11.023 1.00 0.00 H new ATOM 0 HD3 ARG A 10 109.456 10.844 12.515 1.00 0.00 H new ATOM 0 HE ARG A 10 112.171 11.146 13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.059 13.228 13.438 1.00 0.00 H new ATOM 0 HH12 ARG A 10 112.319 14.593 12.595 1.00 0.00 H new ATOM 0 HH21 ARG A 10 109.783 12.654 11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.480 14.270 11.320 1.00 0.00 H new ATOM 186 N TYR A 11 108.907 5.738 10.369 1.00 0.00 N ATOM 187 CA TYR A 11 107.915 4.867 9.750 1.00 0.00 C ATOM 188 C TYR A 11 107.976 3.469 10.356 1.00 0.00 C ATOM 189 O TYR A 11 106.945 2.865 10.654 1.00 0.00 O ATOM 190 CB TYR A 11 108.162 4.783 8.243 1.00 0.00 C ATOM 191 CG TYR A 11 107.034 4.021 7.589 1.00 0.00 C ATOM 192 CD1 TYR A 11 107.203 2.674 7.251 1.00 0.00 C ATOM 193 CD2 TYR A 11 105.819 4.664 7.321 1.00 0.00 C ATOM 194 CE1 TYR A 11 106.157 1.968 6.645 1.00 0.00 C ATOM 195 CE2 TYR A 11 104.774 3.957 6.715 1.00 0.00 C ATOM 196 CZ TYR A 11 104.943 2.609 6.377 1.00 0.00 C ATOM 197 OH TYR A 11 103.911 1.913 5.779 1.00 0.00 O ATOM 0 H TYR A 11 109.489 6.255 9.710 1.00 0.00 H new ATOM 0 HA TYR A 11 106.926 5.287 9.933 1.00 0.00 H new ATOM 0 HB2 TYR A 11 108.232 5.785 7.819 1.00 0.00 H new ATOM 0 HB3 TYR A 11 109.112 4.286 8.047 1.00 0.00 H new ATOM 0 HD1 TYR A 11 108.140 2.179 7.458 1.00 0.00 H new ATOM 0 HD2 TYR A 11 105.689 5.704 7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 11 106.287 0.928 6.384 1.00 0.00 H new ATOM 0 HE2 TYR A 11 103.837 4.452 6.508 1.00 0.00 H new ATOM 0 HH TYR A 11 103.139 2.506 5.665 1.00 0.00 H new ATOM 207 N VAL A 12 109.191 2.960 10.537 1.00 0.00 N ATOM 208 CA VAL A 12 109.373 1.622 11.086 1.00 0.00 C ATOM 209 C VAL A 12 108.752 1.522 12.475 1.00 0.00 C ATOM 210 O VAL A 12 107.881 0.687 12.717 1.00 0.00 O ATOM 211 CB VAL A 12 110.864 1.289 11.167 1.00 0.00 C ATOM 212 CG1 VAL A 12 111.090 0.210 12.226 1.00 0.00 C ATOM 213 CG2 VAL A 12 111.346 0.777 9.807 1.00 0.00 C ATOM 0 H VAL A 12 110.057 3.450 10.313 1.00 0.00 H new ATOM 0 HA VAL A 12 108.876 0.910 10.427 1.00 0.00 H new ATOM 0 HB VAL A 12 111.422 2.185 11.438 1.00 0.00 H new ATOM 0 HG11 VAL A 12 112.152 -0.027 12.283 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.747 0.573 13.195 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.532 -0.687 11.956 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.408 0.539 9.863 1.00 0.00 H new ATOM 0 HG22 VAL A 12 110.788 -0.119 9.537 1.00 0.00 H new ATOM 0 HG23 VAL A 12 111.186 1.546 9.051 1.00 0.00 H new ATOM 223 N GLU A 13 109.205 2.380 13.384 1.00 0.00 N ATOM 224 CA GLU A 13 108.692 2.373 14.748 1.00 0.00 C ATOM 225 C GLU A 13 107.227 2.798 14.772 1.00 0.00 C ATOM 226 O GLU A 13 106.407 2.193 15.462 1.00 0.00 O ATOM 227 CB GLU A 13 109.515 3.324 15.620 1.00 0.00 C ATOM 228 CG GLU A 13 110.932 2.772 15.781 1.00 0.00 C ATOM 229 CD GLU A 13 111.781 3.741 16.596 1.00 0.00 C ATOM 230 OE1 GLU A 13 111.248 4.757 17.012 1.00 0.00 O ATOM 231 OE2 GLU A 13 112.950 3.455 16.792 1.00 0.00 O ATOM 0 H GLU A 13 109.921 3.084 13.202 1.00 0.00 H new ATOM 0 HA GLU A 13 108.771 1.359 15.141 1.00 0.00 H new ATOM 0 HB2 GLU A 13 109.549 4.314 15.165 1.00 0.00 H new ATOM 0 HB3 GLU A 13 109.045 3.438 16.597 1.00 0.00 H new ATOM 0 HG2 GLU A 13 110.899 1.801 16.275 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.384 2.616 14.801 1.00 0.00 H new ATOM 238 N GLN A 14 106.906 3.841 14.014 1.00 0.00 N ATOM 239 CA GLN A 14 105.539 4.348 13.969 1.00 0.00 C ATOM 240 C GLN A 14 104.598 3.300 13.385 1.00 0.00 C ATOM 241 O GLN A 14 103.878 2.622 14.118 1.00 0.00 O ATOM 242 CB GLN A 14 105.482 5.619 13.118 1.00 0.00 C ATOM 243 CG GLN A 14 104.062 6.187 13.146 1.00 0.00 C ATOM 244 CD GLN A 14 103.687 6.587 14.568 1.00 0.00 C ATOM 245 OE1 GLN A 14 104.532 7.075 15.319 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.463 6.410 14.985 1.00 0.00 N ATOM 0 H GLN A 14 107.568 4.349 13.427 1.00 0.00 H new ATOM 0 HA GLN A 14 105.222 4.577 14.986 1.00 0.00 H new ATOM 0 HB2 GLN A 14 106.188 6.357 13.499 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.776 5.396 12.092 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.995 7.052 12.487 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.357 5.445 12.771 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.765 6.006 14.361 1.00 0.00 H new ATOM 0 HE22 GLN A 14 102.204 6.676 15.935 1.00 0.00 H new ATOM 255 N LEU A 15 104.609 3.173 12.062 1.00 0.00 N ATOM 256 CA LEU A 15 103.757 2.198 11.391 1.00 0.00 C ATOM 257 C LEU A 15 103.558 0.966 12.268 1.00 0.00 C ATOM 258 O LEU A 15 102.451 0.442 12.378 1.00 0.00 O ATOM 259 CB LEU A 15 104.386 1.784 10.059 1.00 0.00 C ATOM 260 CG LEU A 15 103.282 1.464 9.050 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.336 0.418 9.641 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.497 2.740 8.736 1.00 0.00 C ATOM 0 H LEU A 15 105.194 3.728 11.437 1.00 0.00 H new ATOM 0 HA LEU A 15 102.786 2.658 11.206 1.00 0.00 H new ATOM 0 HB2 LEU A 15 105.019 2.586 9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 15 105.026 0.913 10.202 1.00 0.00 H new ATOM 0 HG LEU A 15 103.728 1.074 8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.550 0.191 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.894 -0.490 9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.889 0.807 10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 15 101.709 2.515 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 15 102.052 3.128 9.652 1.00 0.00 H new ATOM 0 HD23 LEU A 15 103.170 3.487 8.315 1.00 0.00 H new ATOM 274 N LYS A 16 104.641 0.508 12.890 1.00 0.00 N ATOM 275 CA LYS A 16 104.572 -0.658 13.764 1.00 0.00 C ATOM 276 C LYS A 16 103.677 -0.374 14.965 1.00 0.00 C ATOM 277 O LYS A 16 102.866 -1.213 15.360 1.00 0.00 O ATOM 278 CB LYS A 16 105.975 -1.032 14.246 1.00 0.00 C ATOM 279 CG LYS A 16 106.689 -1.842 13.164 1.00 0.00 C ATOM 280 CD LYS A 16 108.093 -2.214 13.645 1.00 0.00 C ATOM 281 CE LYS A 16 108.753 -3.146 12.628 1.00 0.00 C ATOM 282 NZ LYS A 16 109.791 -3.970 13.309 1.00 0.00 N ATOM 0 H LYS A 16 105.569 0.923 12.806 1.00 0.00 H new ATOM 0 HA LYS A 16 104.149 -1.489 13.199 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.544 -0.131 14.475 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.912 -1.612 15.167 1.00 0.00 H new ATOM 0 HG2 LYS A 16 106.121 -2.744 12.936 1.00 0.00 H new ATOM 0 HG3 LYS A 16 106.751 -1.263 12.243 1.00 0.00 H new ATOM 0 HD2 LYS A 16 108.695 -1.314 13.773 1.00 0.00 H new ATOM 0 HD3 LYS A 16 108.038 -2.702 14.618 1.00 0.00 H new ATOM 0 HE2 LYS A 16 108.003 -3.792 12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 16 109.205 -2.564 11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 110.735 -3.602 13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 109.648 -3.927 14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 109.715 -4.957 12.990 1.00 0.00 H new ATOM 296 N GLN A 17 103.828 0.813 15.543 1.00 0.00 N ATOM 297 CA GLN A 17 103.006 1.208 16.682 1.00 0.00 C ATOM 298 C GLN A 17 101.529 1.209 16.301 1.00 0.00 C ATOM 299 O GLN A 17 100.721 0.508 16.910 1.00 0.00 O ATOM 300 CB GLN A 17 103.412 2.603 17.160 1.00 0.00 C ATOM 301 CG GLN A 17 104.654 2.497 18.048 1.00 0.00 C ATOM 302 CD GLN A 17 105.181 3.890 18.375 1.00 0.00 C ATOM 303 OE1 GLN A 17 104.577 4.890 17.988 1.00 0.00 O ATOM 304 NE2 GLN A 17 106.280 4.016 19.067 1.00 0.00 N ATOM 0 H GLN A 17 104.506 1.514 15.245 1.00 0.00 H new ATOM 0 HA GLN A 17 103.162 0.489 17.486 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.617 3.247 16.305 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.593 3.062 17.715 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.409 1.966 18.968 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.425 1.917 17.541 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.779 3.186 19.387 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.640 4.944 19.288 1.00 0.00 H new ATOM 313 N ALA A 18 101.183 2.000 15.290 1.00 0.00 N ATOM 314 CA ALA A 18 99.806 2.056 14.814 1.00 0.00 C ATOM 315 C ALA A 18 99.288 0.655 14.508 1.00 0.00 C ATOM 316 O ALA A 18 98.081 0.441 14.390 1.00 0.00 O ATOM 317 CB ALA A 18 99.725 2.919 13.553 1.00 0.00 C ATOM 0 H ALA A 18 101.832 2.606 14.788 1.00 0.00 H new ATOM 0 HA ALA A 18 99.188 2.497 15.596 1.00 0.00 H new ATOM 0 HB1 ALA A 18 98.693 2.956 13.203 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.068 3.928 13.780 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.356 2.488 12.776 1.00 0.00 H new ATOM 323 N LEU A 19 100.207 -0.296 14.380 1.00 0.00 N ATOM 324 CA LEU A 19 99.829 -1.679 14.110 1.00 0.00 C ATOM 325 C LEU A 19 99.630 -2.445 15.413 1.00 0.00 C ATOM 326 O LEU A 19 98.614 -3.113 15.604 1.00 0.00 O ATOM 327 CB LEU A 19 100.913 -2.363 13.274 1.00 0.00 C ATOM 328 CG LEU A 19 100.482 -2.395 11.807 1.00 0.00 C ATOM 329 CD1 LEU A 19 101.635 -2.916 10.948 1.00 0.00 C ATOM 330 CD2 LEU A 19 99.274 -3.322 11.652 1.00 0.00 C ATOM 0 H LEU A 19 101.212 -0.137 14.458 1.00 0.00 H new ATOM 0 HA LEU A 19 98.890 -1.677 13.556 1.00 0.00 H new ATOM 0 HB2 LEU A 19 101.857 -1.828 13.375 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.081 -3.377 13.637 1.00 0.00 H new ATOM 0 HG LEU A 19 100.214 -1.389 11.485 1.00 0.00 H new ATOM 0 HD11 LEU A 19 101.328 -2.939 9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 19 102.497 -2.258 11.059 1.00 0.00 H new ATOM 0 HD13 LEU A 19 101.903 -3.922 11.270 1.00 0.00 H new ATOM 0 HD21 LEU A 19 98.965 -3.346 10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 19 99.544 -4.328 11.974 1.00 0.00 H new ATOM 0 HD23 LEU A 19 98.451 -2.953 12.265 1.00 0.00 H new ATOM 342 N LYS A 20 100.607 -2.343 16.309 1.00 0.00 N ATOM 343 CA LYS A 20 100.524 -3.026 17.595 1.00 0.00 C ATOM 344 C LYS A 20 99.096 -2.991 18.130 1.00 0.00 C ATOM 345 O LYS A 20 98.591 -3.990 18.642 1.00 0.00 O ATOM 346 CB LYS A 20 101.465 -2.358 18.601 1.00 0.00 C ATOM 347 CG LYS A 20 101.399 -3.105 19.935 1.00 0.00 C ATOM 348 CD LYS A 20 102.430 -2.517 20.901 1.00 0.00 C ATOM 349 CE LYS A 20 102.408 -3.305 22.212 1.00 0.00 C ATOM 350 NZ LYS A 20 101.045 -3.242 22.807 1.00 0.00 N ATOM 0 H LYS A 20 101.458 -1.799 16.170 1.00 0.00 H new ATOM 0 HA LYS A 20 100.821 -4.065 17.454 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.486 -2.363 18.219 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.183 -1.315 18.742 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.399 -3.024 20.360 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.594 -4.166 19.780 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.425 -2.557 20.457 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.208 -1.467 21.092 1.00 0.00 H new ATOM 0 HE2 LYS A 20 102.689 -4.342 22.030 1.00 0.00 H new ATOM 0 HE3 LYS A 20 103.139 -2.894 22.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.093 -3.500 23.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.670 -2.276 22.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.418 -3.905 22.309 1.00 0.00 H new ATOM 364 N THR A 21 98.452 -1.836 18.007 1.00 0.00 N ATOM 365 CA THR A 21 97.082 -1.683 18.482 1.00 0.00 C ATOM 366 C THR A 21 96.174 -2.732 17.849 1.00 0.00 C ATOM 367 O THR A 21 95.270 -3.258 18.497 1.00 0.00 O ATOM 368 CB THR A 21 96.563 -0.283 18.142 1.00 0.00 C ATOM 369 OG1 THR A 21 95.147 -0.319 18.038 1.00 0.00 O ATOM 370 CG2 THR A 21 97.164 0.175 16.811 1.00 0.00 C ATOM 0 H THR A 21 98.853 -0.998 17.586 1.00 0.00 H new ATOM 0 HA THR A 21 97.076 -1.819 19.563 1.00 0.00 H new ATOM 0 HB THR A 21 96.852 0.415 18.928 1.00 0.00 H new ATOM 0 HG1 THR A 21 94.812 0.576 17.822 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.795 1.172 16.569 1.00 0.00 H new ATOM 0 HG22 THR A 21 98.251 0.201 16.892 1.00 0.00 H new ATOM 0 HG23 THR A 21 96.875 -0.520 16.023 1.00 0.00 H new ATOM 378 N ARG A 22 96.423 -3.032 16.578 1.00 0.00 N ATOM 379 CA ARG A 22 95.627 -4.028 15.869 1.00 0.00 C ATOM 380 C ARG A 22 95.901 -5.423 16.422 1.00 0.00 C ATOM 381 O ARG A 22 95.204 -6.382 16.085 1.00 0.00 O ATOM 382 CB ARG A 22 95.958 -3.994 14.376 1.00 0.00 C ATOM 383 CG ARG A 22 95.476 -2.672 13.776 1.00 0.00 C ATOM 384 CD ARG A 22 94.006 -2.800 13.373 1.00 0.00 C ATOM 385 NE ARG A 22 93.552 -1.574 12.725 1.00 0.00 N ATOM 386 CZ ARG A 22 93.105 -0.546 13.437 1.00 0.00 C ATOM 387 NH1 ARG A 22 92.704 0.540 12.834 1.00 0.00 N ATOM 388 NH2 ARG A 22 93.065 -0.621 14.739 1.00 0.00 N ATOM 0 H ARG A 22 97.163 -2.604 16.022 1.00 0.00 H new ATOM 0 HA ARG A 22 94.572 -3.793 16.012 1.00 0.00 H new ATOM 0 HB2 ARG A 22 97.033 -4.102 14.228 1.00 0.00 H new ATOM 0 HB3 ARG A 22 95.481 -4.832 13.868 1.00 0.00 H new ATOM 0 HG2 ARG A 22 95.597 -1.866 14.500 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.081 -2.413 12.907 1.00 0.00 H new ATOM 0 HD2 ARG A 22 93.879 -3.646 12.697 1.00 0.00 H new ATOM 0 HD3 ARG A 22 93.396 -3.002 14.254 1.00 0.00 H new ATOM 0 HE ARG A 22 93.578 -1.505 11.708 1.00 0.00 H new ATOM 0 HH11 ARG A 22 92.734 0.599 11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 22 92.361 1.330 13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 22 93.377 -1.470 15.211 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.722 0.169 15.285 1.00 0.00 H new ATOM 402 N GLY A 23 96.918 -5.531 17.269 1.00 0.00 N ATOM 403 CA GLY A 23 97.267 -6.812 17.872 1.00 0.00 C ATOM 404 C GLY A 23 98.566 -7.354 17.286 1.00 0.00 C ATOM 405 O GLY A 23 98.767 -8.566 17.215 1.00 0.00 O ATOM 0 H GLY A 23 97.512 -4.752 17.553 1.00 0.00 H new ATOM 0 HA2 GLY A 23 97.371 -6.694 18.951 1.00 0.00 H new ATOM 0 HA3 GLY A 23 96.462 -7.528 17.706 1.00 0.00 H new ATOM 409 N VAL A 24 99.443 -6.448 16.866 1.00 0.00 N ATOM 410 CA VAL A 24 100.723 -6.848 16.291 1.00 0.00 C ATOM 411 C VAL A 24 101.853 -6.621 17.289 1.00 0.00 C ATOM 412 O VAL A 24 101.660 -5.992 18.329 1.00 0.00 O ATOM 413 CB VAL A 24 100.995 -6.048 15.017 1.00 0.00 C ATOM 414 CG1 VAL A 24 102.093 -6.736 14.205 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.715 -5.972 14.181 1.00 0.00 C ATOM 0 H VAL A 24 99.293 -5.440 16.912 1.00 0.00 H new ATOM 0 HA VAL A 24 100.676 -7.910 16.049 1.00 0.00 H new ATOM 0 HB VAL A 24 101.318 -5.041 15.283 1.00 0.00 H new ATOM 0 HG11 VAL A 24 102.286 -6.165 13.297 1.00 0.00 H new ATOM 0 HG12 VAL A 24 103.005 -6.791 14.800 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.772 -7.743 13.939 1.00 0.00 H new ATOM 0 HG21 VAL A 24 99.907 -5.402 13.272 1.00 0.00 H new ATOM 0 HG22 VAL A 24 99.393 -6.979 13.916 1.00 0.00 H new ATOM 0 HG23 VAL A 24 98.932 -5.481 14.759 1.00 0.00 H new ATOM 425 N LYS A 25 103.034 -7.139 16.965 1.00 0.00 N ATOM 426 CA LYS A 25 104.194 -6.975 17.835 1.00 0.00 C ATOM 427 C LYS A 25 105.236 -6.079 17.175 1.00 0.00 C ATOM 428 O LYS A 25 105.370 -6.062 15.951 1.00 0.00 O ATOM 429 CB LYS A 25 104.813 -8.340 18.142 1.00 0.00 C ATOM 430 CG LYS A 25 103.780 -9.223 18.845 1.00 0.00 C ATOM 431 CD LYS A 25 103.779 -8.913 20.343 1.00 0.00 C ATOM 432 CE LYS A 25 102.825 -9.870 21.062 1.00 0.00 C ATOM 433 NZ LYS A 25 102.840 -9.581 22.524 1.00 0.00 N ATOM 0 H LYS A 25 103.213 -7.672 16.114 1.00 0.00 H new ATOM 0 HA LYS A 25 103.865 -6.508 18.763 1.00 0.00 H new ATOM 0 HB2 LYS A 25 105.146 -8.816 17.220 1.00 0.00 H new ATOM 0 HB3 LYS A 25 105.693 -8.218 18.774 1.00 0.00 H new ATOM 0 HG2 LYS A 25 102.789 -9.047 18.426 1.00 0.00 H new ATOM 0 HG3 LYS A 25 104.013 -10.275 18.681 1.00 0.00 H new ATOM 0 HD2 LYS A 25 104.786 -9.015 20.747 1.00 0.00 H new ATOM 0 HD3 LYS A 25 103.471 -7.881 20.511 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.815 -9.757 20.669 1.00 0.00 H new ATOM 0 HE3 LYS A 25 103.124 -10.903 20.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 102.192 -10.231 23.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.804 -9.710 22.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 102.535 -8.600 22.687 1.00 0.00 H new ATOM 447 N VAL A 26 105.972 -5.334 17.993 1.00 0.00 N ATOM 448 CA VAL A 26 106.995 -4.430 17.478 1.00 0.00 C ATOM 449 C VAL A 26 108.365 -4.794 18.041 1.00 0.00 C ATOM 450 O VAL A 26 109.297 -3.993 17.996 1.00 0.00 O ATOM 451 CB VAL A 26 106.653 -2.988 17.852 1.00 0.00 C ATOM 452 CG1 VAL A 26 105.156 -2.749 17.655 1.00 0.00 C ATOM 453 CG2 VAL A 26 107.020 -2.741 19.317 1.00 0.00 C ATOM 0 H VAL A 26 105.881 -5.337 19.009 1.00 0.00 H new ATOM 0 HA VAL A 26 107.025 -4.526 16.393 1.00 0.00 H new ATOM 0 HB VAL A 26 107.216 -2.305 17.215 1.00 0.00 H new ATOM 0 HG11 VAL A 26 104.914 -1.720 17.922 1.00 0.00 H new ATOM 0 HG12 VAL A 26 104.894 -2.924 16.612 1.00 0.00 H new ATOM 0 HG13 VAL A 26 104.592 -3.431 18.291 1.00 0.00 H new ATOM 0 HG21 VAL A 26 106.776 -1.713 19.585 1.00 0.00 H new ATOM 0 HG22 VAL A 26 106.458 -3.425 19.953 1.00 0.00 H new ATOM 0 HG23 VAL A 26 108.088 -2.909 19.458 1.00 0.00 H new ATOM 463 N LYS A 27 108.477 -6.007 18.572 1.00 0.00 N ATOM 464 CA LYS A 27 109.741 -6.470 19.134 1.00 0.00 C ATOM 465 C LYS A 27 110.873 -6.293 18.125 1.00 0.00 C ATOM 466 O LYS A 27 110.630 -6.088 16.936 1.00 0.00 O ATOM 467 CB LYS A 27 109.630 -7.944 19.525 1.00 0.00 C ATOM 468 CG LYS A 27 108.976 -8.728 18.386 1.00 0.00 C ATOM 469 CD LYS A 27 109.056 -10.227 18.684 1.00 0.00 C ATOM 470 CE LYS A 27 108.155 -10.990 17.712 1.00 0.00 C ATOM 471 NZ LYS A 27 108.707 -10.878 16.331 1.00 0.00 N ATOM 0 H LYS A 27 107.715 -6.683 18.625 1.00 0.00 H new ATOM 0 HA LYS A 27 109.963 -5.875 20.020 1.00 0.00 H new ATOM 0 HB2 LYS A 27 110.619 -8.350 19.739 1.00 0.00 H new ATOM 0 HB3 LYS A 27 109.040 -8.046 20.436 1.00 0.00 H new ATOM 0 HG2 LYS A 27 107.935 -8.424 18.272 1.00 0.00 H new ATOM 0 HG3 LYS A 27 109.477 -8.507 17.444 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.085 -10.573 18.590 1.00 0.00 H new ATOM 0 HD3 LYS A 27 108.747 -10.421 19.711 1.00 0.00 H new ATOM 0 HE2 LYS A 27 108.090 -12.038 18.005 1.00 0.00 H new ATOM 0 HE3 LYS A 27 107.143 -10.587 17.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 108.114 -11.425 15.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 108.715 -9.879 16.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 109.677 -11.252 16.314 1.00 0.00 H new ATOM 485 N TYR A 28 112.108 -6.374 18.608 1.00 0.00 N ATOM 486 CA TYR A 28 113.269 -6.228 17.739 1.00 0.00 C ATOM 487 C TYR A 28 113.271 -7.309 16.662 1.00 0.00 C ATOM 488 O TYR A 28 113.698 -7.071 15.532 1.00 0.00 O ATOM 489 CB TYR A 28 114.554 -6.323 18.563 1.00 0.00 C ATOM 490 CG TYR A 28 114.661 -5.122 19.471 1.00 0.00 C ATOM 491 CD1 TYR A 28 114.215 -5.205 20.796 1.00 0.00 C ATOM 492 CD2 TYR A 28 115.205 -3.926 18.989 1.00 0.00 C ATOM 493 CE1 TYR A 28 114.314 -4.091 21.638 1.00 0.00 C ATOM 494 CE2 TYR A 28 115.304 -2.812 19.832 1.00 0.00 C ATOM 495 CZ TYR A 28 114.858 -2.895 21.156 1.00 0.00 C ATOM 496 OH TYR A 28 114.955 -1.797 21.987 1.00 0.00 O ATOM 0 H TYR A 28 112.330 -6.539 19.590 1.00 0.00 H new ATOM 0 HA TYR A 28 113.219 -5.251 17.258 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.553 -7.239 19.153 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.419 -6.371 17.902 1.00 0.00 H new ATOM 0 HD1 TYR A 28 113.795 -6.128 21.168 1.00 0.00 H new ATOM 0 HD2 TYR A 28 115.548 -3.862 17.967 1.00 0.00 H new ATOM 0 HE1 TYR A 28 113.970 -4.155 22.660 1.00 0.00 H new ATOM 0 HE2 TYR A 28 115.724 -1.889 19.460 1.00 0.00 H new ATOM 0 HH TYR A 28 115.356 -1.050 21.496 1.00 0.00 H new ATOM 506 N ALA A 29 112.791 -8.495 17.020 1.00 0.00 N ATOM 507 CA ALA A 29 112.747 -9.606 16.077 1.00 0.00 C ATOM 508 C ALA A 29 111.912 -9.239 14.855 1.00 0.00 C ATOM 509 O ALA A 29 112.063 -9.831 13.786 1.00 0.00 O ATOM 510 CB ALA A 29 112.149 -10.841 16.752 1.00 0.00 C ATOM 0 H ALA A 29 112.430 -8.711 17.949 1.00 0.00 H new ATOM 0 HA ALA A 29 113.765 -9.825 15.755 1.00 0.00 H new ATOM 0 HB1 ALA A 29 112.120 -11.666 16.041 1.00 0.00 H new ATOM 0 HB2 ALA A 29 112.763 -11.121 17.608 1.00 0.00 H new ATOM 0 HB3 ALA A 29 111.137 -10.617 17.090 1.00 0.00 H new ATOM 516 N ASP A 30 111.031 -8.258 15.019 1.00 0.00 N ATOM 517 CA ASP A 30 110.167 -7.828 13.925 1.00 0.00 C ATOM 518 C ASP A 30 110.970 -7.066 12.876 1.00 0.00 C ATOM 519 O ASP A 30 110.792 -7.271 11.674 1.00 0.00 O ATOM 520 CB ASP A 30 109.049 -6.933 14.463 1.00 0.00 C ATOM 521 CG ASP A 30 108.133 -7.737 15.380 1.00 0.00 C ATOM 522 OD1 ASP A 30 107.599 -7.155 16.309 1.00 0.00 O ATOM 523 OD2 ASP A 30 107.980 -8.924 15.140 1.00 0.00 O ATOM 0 H ASP A 30 110.896 -7.749 15.892 1.00 0.00 H new ATOM 0 HA ASP A 30 109.732 -8.713 13.461 1.00 0.00 H new ATOM 0 HB2 ASP A 30 109.476 -6.092 15.009 1.00 0.00 H new ATOM 0 HB3 ASP A 30 108.475 -6.517 13.635 1.00 0.00 H new ATOM 528 N LEU A 31 111.855 -6.188 13.337 1.00 0.00 N ATOM 529 CA LEU A 31 112.669 -5.390 12.428 1.00 0.00 C ATOM 530 C LEU A 31 113.547 -6.290 11.565 1.00 0.00 C ATOM 531 O LEU A 31 113.675 -6.079 10.359 1.00 0.00 O ATOM 532 CB LEU A 31 113.551 -4.427 13.225 1.00 0.00 C ATOM 533 CG LEU A 31 112.717 -3.226 13.675 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.101 -3.516 15.045 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.617 -1.991 13.773 1.00 0.00 C ATOM 0 H LEU A 31 112.026 -6.012 14.327 1.00 0.00 H new ATOM 0 HA LEU A 31 112.003 -4.821 11.780 1.00 0.00 H new ATOM 0 HB2 LEU A 31 113.973 -4.936 14.092 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.389 -4.093 12.613 1.00 0.00 H new ATOM 0 HG LEU A 31 111.923 -3.043 12.951 1.00 0.00 H new ATOM 0 HD11 LEU A 31 111.507 -2.660 15.365 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.462 -4.396 14.978 1.00 0.00 H new ATOM 0 HD13 LEU A 31 112.895 -3.698 15.770 1.00 0.00 H new ATOM 0 HD21 LEU A 31 113.025 -1.134 14.093 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.410 -2.175 14.498 1.00 0.00 H new ATOM 0 HD23 LEU A 31 114.057 -1.783 12.798 1.00 0.00 H new ATOM 547 N LEU A 32 114.152 -7.295 12.190 1.00 0.00 N ATOM 548 CA LEU A 32 115.037 -8.206 11.475 1.00 0.00 C ATOM 549 C LEU A 32 114.374 -8.701 10.193 1.00 0.00 C ATOM 550 O LEU A 32 114.812 -8.375 9.090 1.00 0.00 O ATOM 551 CB LEU A 32 115.387 -9.400 12.364 1.00 0.00 C ATOM 552 CG LEU A 32 115.897 -8.899 13.716 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.224 -10.093 14.615 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.160 -8.061 13.505 1.00 0.00 C ATOM 0 H LEU A 32 114.046 -7.498 13.184 1.00 0.00 H new ATOM 0 HA LEU A 32 115.948 -7.668 11.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 114.509 -10.031 12.506 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.147 -10.015 11.882 1.00 0.00 H new ATOM 0 HG LEU A 32 115.128 -8.288 14.189 1.00 0.00 H new ATOM 0 HD11 LEU A 32 116.587 -9.735 15.578 1.00 0.00 H new ATOM 0 HD12 LEU A 32 115.326 -10.692 14.766 1.00 0.00 H new ATOM 0 HD13 LEU A 32 116.992 -10.705 14.142 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.524 -7.703 14.468 1.00 0.00 H new ATOM 0 HD22 LEU A 32 117.928 -8.673 13.031 1.00 0.00 H new ATOM 0 HD23 LEU A 32 116.929 -7.209 12.865 1.00 0.00 H new ATOM 566 N LYS A 33 113.316 -9.489 10.347 1.00 0.00 N ATOM 567 CA LYS A 33 112.631 -10.066 9.196 1.00 0.00 C ATOM 568 C LYS A 33 111.901 -8.983 8.408 1.00 0.00 C ATOM 569 O LYS A 33 112.029 -8.897 7.187 1.00 0.00 O ATOM 570 CB LYS A 33 111.629 -11.126 9.660 1.00 0.00 C ATOM 571 CG LYS A 33 111.009 -11.811 8.441 1.00 0.00 C ATOM 572 CD LYS A 33 110.114 -12.963 8.903 1.00 0.00 C ATOM 573 CE LYS A 33 109.515 -13.665 7.684 1.00 0.00 C ATOM 574 NZ LYS A 33 108.700 -14.829 8.131 1.00 0.00 N ATOM 0 H LYS A 33 112.916 -9.742 11.251 1.00 0.00 H new ATOM 0 HA LYS A 33 113.376 -10.530 8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 33 112.128 -11.863 10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.850 -10.664 10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.426 -11.093 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.793 -12.187 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 33 110.692 -13.671 9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 33 109.319 -12.585 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 33 108.895 -12.969 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 33 110.309 -13.999 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 108.293 -15.306 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 109.304 -15.496 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.934 -14.498 8.751 1.00 0.00 H new ATOM 588 N PHE A 34 111.135 -8.159 9.116 1.00 0.00 N ATOM 589 CA PHE A 34 110.336 -7.128 8.465 1.00 0.00 C ATOM 590 C PHE A 34 111.223 -6.199 7.643 1.00 0.00 C ATOM 591 O PHE A 34 110.883 -5.834 6.518 1.00 0.00 O ATOM 592 CB PHE A 34 109.577 -6.315 9.515 1.00 0.00 C ATOM 593 CG PHE A 34 108.606 -5.385 8.828 1.00 0.00 C ATOM 594 CD1 PHE A 34 108.829 -4.002 8.845 1.00 0.00 C ATOM 595 CD2 PHE A 34 107.482 -5.904 8.174 1.00 0.00 C ATOM 596 CE1 PHE A 34 107.930 -3.140 8.208 1.00 0.00 C ATOM 597 CE2 PHE A 34 106.582 -5.042 7.537 1.00 0.00 C ATOM 598 CZ PHE A 34 106.806 -3.660 7.553 1.00 0.00 C ATOM 0 H PHE A 34 111.051 -8.185 10.132 1.00 0.00 H new ATOM 0 HA PHE A 34 109.625 -7.615 7.798 1.00 0.00 H new ATOM 0 HB2 PHE A 34 109.042 -6.983 10.190 1.00 0.00 H new ATOM 0 HB3 PHE A 34 110.277 -5.742 10.123 1.00 0.00 H new ATOM 0 HD1 PHE A 34 109.695 -3.601 9.350 1.00 0.00 H new ATOM 0 HD2 PHE A 34 107.309 -6.970 8.161 1.00 0.00 H new ATOM 0 HE1 PHE A 34 108.102 -2.074 8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 34 105.715 -5.443 7.033 1.00 0.00 H new ATOM 0 HZ PHE A 34 106.112 -2.995 7.060 1.00 0.00 H new ATOM 608 N PHE A 35 112.363 -5.822 8.214 1.00 0.00 N ATOM 609 CA PHE A 35 113.268 -4.893 7.547 1.00 0.00 C ATOM 610 C PHE A 35 113.947 -5.566 6.358 1.00 0.00 C ATOM 611 O PHE A 35 114.003 -5.006 5.264 1.00 0.00 O ATOM 612 CB PHE A 35 114.330 -4.400 8.532 1.00 0.00 C ATOM 613 CG PHE A 35 115.034 -3.197 7.953 1.00 0.00 C ATOM 614 CD1 PHE A 35 114.738 -1.914 8.431 1.00 0.00 C ATOM 615 CD2 PHE A 35 115.984 -3.363 6.938 1.00 0.00 C ATOM 616 CE1 PHE A 35 115.392 -0.799 7.894 1.00 0.00 C ATOM 617 CE2 PHE A 35 116.638 -2.248 6.401 1.00 0.00 C ATOM 618 CZ PHE A 35 116.342 -0.965 6.879 1.00 0.00 C ATOM 0 H PHE A 35 112.680 -6.142 9.129 1.00 0.00 H new ATOM 0 HA PHE A 35 112.686 -4.045 7.186 1.00 0.00 H new ATOM 0 HB2 PHE A 35 113.866 -4.140 9.483 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.050 -5.193 8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 35 114.005 -1.785 9.214 1.00 0.00 H new ATOM 0 HD2 PHE A 35 116.212 -4.352 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 35 115.164 0.190 8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 35 117.371 -2.377 5.618 1.00 0.00 H new ATOM 0 HZ PHE A 35 116.846 -0.104 6.465 1.00 0.00 H new ATOM 628 N ASP A 36 114.462 -6.771 6.583 1.00 0.00 N ATOM 629 CA ASP A 36 115.137 -7.511 5.522 1.00 0.00 C ATOM 630 C ASP A 36 114.119 -8.123 4.564 1.00 0.00 C ATOM 631 O ASP A 36 114.450 -8.467 3.429 1.00 0.00 O ATOM 632 CB ASP A 36 116.002 -8.618 6.127 1.00 0.00 C ATOM 633 CG ASP A 36 117.200 -8.009 6.847 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.867 -8.736 7.566 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.434 -6.824 6.668 1.00 0.00 O ATOM 0 H ASP A 36 114.426 -7.252 7.482 1.00 0.00 H new ATOM 0 HA ASP A 36 115.770 -6.818 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 36 115.411 -9.212 6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 36 116.344 -9.294 5.343 1.00 0.00 H new ATOM 640 N PHE A 37 112.882 -8.256 5.030 1.00 0.00 N ATOM 641 CA PHE A 37 111.830 -8.852 4.215 1.00 0.00 C ATOM 642 C PHE A 37 111.566 -8.004 2.976 1.00 0.00 C ATOM 643 O PHE A 37 111.570 -8.510 1.853 1.00 0.00 O ATOM 644 CB PHE A 37 110.543 -8.978 5.033 1.00 0.00 C ATOM 645 CG PHE A 37 109.356 -9.022 4.101 1.00 0.00 C ATOM 646 CD1 PHE A 37 109.292 -9.992 3.094 1.00 0.00 C ATOM 647 CD2 PHE A 37 108.319 -8.093 4.244 1.00 0.00 C ATOM 648 CE1 PHE A 37 108.192 -10.034 2.230 1.00 0.00 C ATOM 649 CE2 PHE A 37 107.217 -8.135 3.381 1.00 0.00 C ATOM 650 CZ PHE A 37 107.154 -9.105 2.373 1.00 0.00 C ATOM 0 H PHE A 37 112.585 -7.962 5.960 1.00 0.00 H new ATOM 0 HA PHE A 37 112.159 -9.842 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.574 -9.881 5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 37 110.450 -8.135 5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 37 110.092 -10.709 2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 37 108.369 -7.344 5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 37 108.144 -10.783 1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 37 106.416 -7.419 3.493 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.305 -9.137 1.706 1.00 0.00 H new ATOM 660 N VAL A 38 111.337 -6.712 3.187 1.00 0.00 N ATOM 661 CA VAL A 38 111.059 -5.804 2.079 1.00 0.00 C ATOM 662 C VAL A 38 112.338 -5.490 1.310 1.00 0.00 C ATOM 663 O VAL A 38 112.325 -5.374 0.085 1.00 0.00 O ATOM 664 CB VAL A 38 110.447 -4.507 2.609 1.00 0.00 C ATOM 665 CG1 VAL A 38 108.974 -4.736 2.945 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.195 -4.069 3.871 1.00 0.00 C ATOM 0 H VAL A 38 111.338 -6.272 4.107 1.00 0.00 H new ATOM 0 HA VAL A 38 110.354 -6.289 1.404 1.00 0.00 H new ATOM 0 HB VAL A 38 110.529 -3.731 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.539 -3.811 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.440 -5.048 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 38 108.891 -5.513 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 38 110.759 -3.144 4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 38 111.113 -4.846 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.246 -3.904 3.632 1.00 0.00 H new ATOM 676 N LYS A 39 113.441 -5.354 2.038 1.00 0.00 N ATOM 677 CA LYS A 39 114.722 -5.035 1.415 1.00 0.00 C ATOM 678 C LYS A 39 115.114 -6.118 0.415 1.00 0.00 C ATOM 679 O LYS A 39 115.651 -5.824 -0.654 1.00 0.00 O ATOM 680 CB LYS A 39 115.807 -4.909 2.486 1.00 0.00 C ATOM 681 CG LYS A 39 117.108 -4.429 1.840 1.00 0.00 C ATOM 682 CD LYS A 39 118.180 -4.257 2.918 1.00 0.00 C ATOM 683 CE LYS A 39 119.495 -3.822 2.267 1.00 0.00 C ATOM 684 NZ LYS A 39 119.448 -2.361 1.981 1.00 0.00 N ATOM 0 H LYS A 39 113.475 -5.458 3.052 1.00 0.00 H new ATOM 0 HA LYS A 39 114.623 -4.087 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.491 -4.207 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 39 115.964 -5.871 2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.442 -5.148 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 39 116.943 -3.484 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 39 117.860 -3.514 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.322 -5.193 3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 39 120.332 -4.047 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.658 -4.379 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 120.348 -2.062 1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 118.669 -2.161 1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 119.295 -1.839 2.867 1.00 0.00 H new ATOM 698 N ASP A 40 114.843 -7.370 0.769 1.00 0.00 N ATOM 699 CA ASP A 40 115.180 -8.490 -0.103 1.00 0.00 C ATOM 700 C ASP A 40 114.911 -8.132 -1.561 1.00 0.00 C ATOM 701 O ASP A 40 115.782 -8.283 -2.418 1.00 0.00 O ATOM 702 CB ASP A 40 114.355 -9.719 0.283 1.00 0.00 C ATOM 703 CG ASP A 40 114.856 -10.287 1.606 1.00 0.00 C ATOM 704 OD1 ASP A 40 115.994 -10.016 1.953 1.00 0.00 O ATOM 705 OD2 ASP A 40 114.094 -10.984 2.256 1.00 0.00 O ATOM 0 H ASP A 40 114.395 -7.634 1.646 1.00 0.00 H new ATOM 0 HA ASP A 40 116.240 -8.713 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 40 113.303 -9.449 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 40 114.427 -10.476 -0.498 1.00 0.00 H new ATOM 710 N THR A 41 113.701 -7.658 -1.837 1.00 0.00 N ATOM 711 CA THR A 41 113.328 -7.282 -3.196 1.00 0.00 C ATOM 712 C THR A 41 113.091 -5.778 -3.289 1.00 0.00 C ATOM 713 O THR A 41 112.842 -5.245 -4.370 1.00 0.00 O ATOM 714 CB THR A 41 112.060 -8.028 -3.615 1.00 0.00 C ATOM 715 OG1 THR A 41 111.092 -7.931 -2.581 1.00 0.00 O ATOM 716 CG2 THR A 41 112.392 -9.499 -3.872 1.00 0.00 C ATOM 0 H THR A 41 112.966 -7.526 -1.143 1.00 0.00 H new ATOM 0 HA THR A 41 114.145 -7.552 -3.865 1.00 0.00 H new ATOM 0 HB THR A 41 111.662 -7.584 -4.527 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.278 -8.407 -2.849 1.00 0.00 H new ATOM 0 HG21 THR A 41 111.488 -10.029 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.134 -9.571 -4.667 1.00 0.00 H new ATOM 0 HG23 THR A 41 112.791 -9.946 -2.962 1.00 0.00 H new ATOM 724 N CYS A 42 113.171 -5.099 -2.148 1.00 0.00 N ATOM 725 CA CYS A 42 112.954 -3.658 -2.112 1.00 0.00 C ATOM 726 C CYS A 42 111.887 -3.250 -3.123 1.00 0.00 C ATOM 727 O CYS A 42 112.148 -2.471 -4.039 1.00 0.00 O ATOM 728 CB CYS A 42 114.260 -2.925 -2.424 1.00 0.00 C ATOM 729 SG CYS A 42 115.007 -3.631 -3.914 1.00 0.00 S ATOM 0 H CYS A 42 113.383 -5.520 -1.243 1.00 0.00 H new ATOM 0 HA CYS A 42 112.614 -3.387 -1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 42 114.067 -1.862 -2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 42 114.948 -3.012 -1.583 1.00 0.00 H new ATOM 0 HG CYS A 42 114.093 -4.235 -4.614 1.00 0.00 H new ATOM 735 N PRO A 43 110.698 -3.764 -2.968 1.00 0.00 N ATOM 736 CA PRO A 43 109.562 -3.467 -3.887 1.00 0.00 C ATOM 737 C PRO A 43 108.933 -2.105 -3.603 1.00 0.00 C ATOM 738 O PRO A 43 108.504 -1.405 -4.519 1.00 0.00 O ATOM 739 CB PRO A 43 108.568 -4.597 -3.614 1.00 0.00 C ATOM 740 CG PRO A 43 108.838 -5.034 -2.212 1.00 0.00 C ATOM 741 CD PRO A 43 110.306 -4.688 -1.893 1.00 0.00 C ATOM 0 HA PRO A 43 109.880 -3.418 -4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.540 -4.252 -3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 43 108.706 -5.420 -4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.166 -4.530 -1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 43 108.664 -6.105 -2.104 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.402 -4.222 -0.912 1.00 0.00 H new ATOM 0 HD3 PRO A 43 110.933 -5.579 -1.885 1.00 0.00 H new ATOM 749 N TRP A 44 108.882 -1.739 -2.326 1.00 0.00 N ATOM 750 CA TRP A 44 108.293 -0.464 -1.931 1.00 0.00 C ATOM 751 C TRP A 44 109.261 0.682 -2.206 1.00 0.00 C ATOM 752 O TRP A 44 108.978 1.837 -1.886 1.00 0.00 O ATOM 753 CB TRP A 44 107.939 -0.492 -0.444 1.00 0.00 C ATOM 754 CG TRP A 44 106.478 -0.761 -0.284 1.00 0.00 C ATOM 755 CD1 TRP A 44 105.487 -0.039 -0.856 1.00 0.00 C ATOM 756 CD2 TRP A 44 105.824 -1.811 0.488 1.00 0.00 C ATOM 757 NE1 TRP A 44 104.269 -0.578 -0.486 1.00 0.00 N ATOM 758 CE2 TRP A 44 104.424 -1.673 0.343 1.00 0.00 C ATOM 759 CE3 TRP A 44 106.308 -2.860 1.291 1.00 0.00 C ATOM 760 CZ2 TRP A 44 103.534 -2.544 0.971 1.00 0.00 C ATOM 761 CZ3 TRP A 44 105.414 -3.738 1.926 1.00 0.00 C ATOM 762 CH2 TRP A 44 104.030 -3.580 1.766 1.00 0.00 C ATOM 0 H TRP A 44 109.238 -2.301 -1.553 1.00 0.00 H new ATOM 0 HA TRP A 44 107.387 -0.306 -2.516 1.00 0.00 H new ATOM 0 HB2 TRP A 44 108.519 -1.262 0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 44 108.197 0.460 0.020 1.00 0.00 H new ATOM 0 HD1 TRP A 44 105.625 0.819 -1.497 1.00 0.00 H new ATOM 0 HE1 TRP A 44 103.366 -0.212 -0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 44 107.372 -2.991 1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 102.469 -2.418 0.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 105.795 -4.540 2.541 1.00 0.00 H new ATOM 0 HH2 TRP A 44 103.348 -4.259 2.257 1.00 0.00 H new ATOM 773 N PHE A 45 110.405 0.355 -2.798 1.00 0.00 N ATOM 774 CA PHE A 45 111.414 1.364 -3.098 1.00 0.00 C ATOM 775 C PHE A 45 111.799 2.127 -1.835 1.00 0.00 C ATOM 776 O PHE A 45 111.808 3.358 -1.818 1.00 0.00 O ATOM 777 CB PHE A 45 110.880 2.343 -4.145 1.00 0.00 C ATOM 778 CG PHE A 45 110.615 1.605 -5.436 1.00 0.00 C ATOM 779 CD1 PHE A 45 109.311 1.522 -5.939 1.00 0.00 C ATOM 780 CD2 PHE A 45 111.673 1.003 -6.128 1.00 0.00 C ATOM 781 CE1 PHE A 45 109.065 0.837 -7.135 1.00 0.00 C ATOM 782 CE2 PHE A 45 111.426 0.319 -7.324 1.00 0.00 C ATOM 783 CZ PHE A 45 110.123 0.236 -7.827 1.00 0.00 C ATOM 0 H PHE A 45 110.655 -0.593 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 45 112.298 0.861 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 45 109.963 2.811 -3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 45 111.602 3.143 -4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 45 108.495 1.986 -5.405 1.00 0.00 H new ATOM 0 HD2 PHE A 45 112.679 1.066 -5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 45 108.059 0.772 -7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 45 112.242 -0.145 -7.859 1.00 0.00 H new ATOM 0 HZ PHE A 45 109.933 -0.292 -8.750 1.00 0.00 H new ATOM 793 N PRO A 46 112.116 1.417 -0.787 1.00 0.00 N ATOM 794 CA PRO A 46 112.508 2.029 0.516 1.00 0.00 C ATOM 795 C PRO A 46 113.554 3.128 0.342 1.00 0.00 C ATOM 796 O PRO A 46 113.906 3.819 1.299 1.00 0.00 O ATOM 797 CB PRO A 46 113.078 0.854 1.312 1.00 0.00 C ATOM 798 CG PRO A 46 113.173 -0.276 0.341 1.00 0.00 C ATOM 799 CD PRO A 46 112.133 -0.052 -0.732 1.00 0.00 C ATOM 0 HA PRO A 46 111.667 2.515 1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 46 114.056 1.098 1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 46 112.431 0.597 2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 46 114.170 -0.320 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 46 113.003 -1.228 0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 46 112.417 -0.499 -1.685 1.00 0.00 H new ATOM 0 HD3 PRO A 46 111.162 -0.468 -0.462 1.00 0.00 H new ATOM 807 N GLN A 47 114.045 3.284 -0.883 1.00 0.00 N ATOM 808 CA GLN A 47 115.048 4.303 -1.170 1.00 0.00 C ATOM 809 C GLN A 47 114.482 5.696 -0.916 1.00 0.00 C ATOM 810 O GLN A 47 115.040 6.471 -0.139 1.00 0.00 O ATOM 811 CB GLN A 47 115.503 4.192 -2.626 1.00 0.00 C ATOM 812 CG GLN A 47 116.176 2.836 -2.849 1.00 0.00 C ATOM 813 CD GLN A 47 117.480 2.766 -2.062 1.00 0.00 C ATOM 814 OE1 GLN A 47 118.337 3.639 -2.200 1.00 0.00 O ATOM 815 NE2 GLN A 47 117.683 1.772 -1.241 1.00 0.00 N ATOM 0 H GLN A 47 113.767 2.722 -1.688 1.00 0.00 H new ATOM 0 HA GLN A 47 115.901 4.144 -0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 47 114.649 4.300 -3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 47 116.197 4.998 -2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 47 115.509 2.033 -2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 47 116.374 2.689 -3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 47 116.971 1.050 -1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 47 118.553 1.717 -0.712 1.00 0.00 H new ATOM 824 N GLU A 48 113.372 6.009 -1.577 1.00 0.00 N ATOM 825 CA GLU A 48 112.732 7.308 -1.404 1.00 0.00 C ATOM 826 C GLU A 48 111.663 7.237 -0.318 1.00 0.00 C ATOM 827 O GLU A 48 111.397 8.224 0.370 1.00 0.00 O ATOM 828 CB GLU A 48 112.095 7.756 -2.720 1.00 0.00 C ATOM 829 CG GLU A 48 111.499 9.154 -2.550 1.00 0.00 C ATOM 830 CD GLU A 48 112.605 10.159 -2.245 1.00 0.00 C ATOM 831 OE1 GLU A 48 112.299 11.196 -1.680 1.00 0.00 O ATOM 832 OE2 GLU A 48 113.744 9.877 -2.583 1.00 0.00 O ATOM 0 H GLU A 48 112.900 5.386 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 48 113.492 8.030 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 48 112.842 7.762 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 48 111.318 7.052 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 48 110.971 9.446 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 48 110.767 9.150 -1.743 1.00 0.00 H new ATOM 839 N GLY A 49 111.054 6.065 -0.168 1.00 0.00 N ATOM 840 CA GLY A 49 110.014 5.879 0.837 1.00 0.00 C ATOM 841 C GLY A 49 108.637 6.188 0.261 1.00 0.00 C ATOM 842 O GLY A 49 108.150 7.314 0.362 1.00 0.00 O ATOM 0 H GLY A 49 111.261 5.236 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 49 110.037 4.853 1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 49 110.209 6.527 1.691 1.00 0.00 H new ATOM 846 N THR A 50 108.015 5.182 -0.345 1.00 0.00 N ATOM 847 CA THR A 50 106.692 5.357 -0.930 1.00 0.00 C ATOM 848 C THR A 50 105.844 4.106 -0.723 1.00 0.00 C ATOM 849 O THR A 50 106.359 3.049 -0.357 1.00 0.00 O ATOM 850 CB THR A 50 106.816 5.649 -2.427 1.00 0.00 C ATOM 851 OG1 THR A 50 105.551 6.047 -2.938 1.00 0.00 O ATOM 852 CG2 THR A 50 107.292 4.392 -3.157 1.00 0.00 C ATOM 0 H THR A 50 108.403 4.244 -0.443 1.00 0.00 H new ATOM 0 HA THR A 50 106.206 6.198 -0.435 1.00 0.00 H new ATOM 0 HB THR A 50 107.538 6.451 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 50 105.127 5.287 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 50 107.380 4.602 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 50 108.263 4.090 -2.765 1.00 0.00 H new ATOM 0 HG23 THR A 50 106.573 3.588 -3.003 1.00 0.00 H new ATOM 860 N ILE A 51 104.542 4.232 -0.961 1.00 0.00 N ATOM 861 CA ILE A 51 103.634 3.102 -0.805 1.00 0.00 C ATOM 862 C ILE A 51 102.983 2.749 -2.138 1.00 0.00 C ATOM 863 O ILE A 51 102.561 3.631 -2.887 1.00 0.00 O ATOM 864 CB ILE A 51 102.551 3.442 0.221 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.104 4.450 1.230 1.00 0.00 C ATOM 866 CG2 ILE A 51 102.125 2.168 0.954 1.00 0.00 C ATOM 867 CD1 ILE A 51 102.333 4.330 2.546 1.00 0.00 C ATOM 0 H ILE A 51 104.095 5.099 -1.260 1.00 0.00 H new ATOM 0 HA ILE A 51 104.208 2.243 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 51 101.689 3.873 -0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.165 4.266 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 51 103.015 5.462 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 51 101.353 2.410 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 51 101.732 1.449 0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 51 102.986 1.737 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 51 102.727 5.048 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 51 101.277 4.535 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 51 102.445 3.321 2.943 1.00 0.00 H new ATOM 879 N ASP A 52 102.904 1.455 -2.428 1.00 0.00 N ATOM 880 CA ASP A 52 102.307 0.997 -3.679 1.00 0.00 C ATOM 881 C ASP A 52 101.458 -0.247 -3.443 1.00 0.00 C ATOM 882 O ASP A 52 101.949 -1.263 -2.952 1.00 0.00 O ATOM 883 CB ASP A 52 103.406 0.682 -4.696 1.00 0.00 C ATOM 884 CG ASP A 52 104.009 1.978 -5.229 1.00 0.00 C ATOM 885 OD1 ASP A 52 105.056 1.908 -5.852 1.00 0.00 O ATOM 886 OD2 ASP A 52 103.416 3.020 -5.005 1.00 0.00 O ATOM 0 H ASP A 52 103.243 0.709 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 52 101.668 1.790 -4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 52 104.182 0.075 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 52 102.995 0.097 -5.519 1.00 0.00 H new ATOM 891 N ILE A 53 100.179 -0.160 -3.796 1.00 0.00 N ATOM 892 CA ILE A 53 99.268 -1.284 -3.611 1.00 0.00 C ATOM 893 C ILE A 53 99.514 -2.353 -4.670 1.00 0.00 C ATOM 894 O ILE A 53 99.479 -3.549 -4.379 1.00 0.00 O ATOM 895 CB ILE A 53 97.820 -0.800 -3.698 1.00 0.00 C ATOM 896 CG1 ILE A 53 97.628 0.403 -2.771 1.00 0.00 C ATOM 897 CG2 ILE A 53 96.879 -1.928 -3.270 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.093 0.039 -1.360 1.00 0.00 C ATOM 0 H ILE A 53 99.753 0.670 -4.208 1.00 0.00 H new ATOM 0 HA ILE A 53 99.448 -1.717 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 53 97.595 -0.508 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.195 1.257 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 53 96.579 0.699 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 53 95.847 -1.584 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.016 -2.785 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.103 -2.219 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 53 97.956 0.895 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 53 97.507 -0.802 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.147 -0.236 -1.384 1.00 0.00 H new ATOM 910 N LYS A 54 99.763 -1.915 -5.900 1.00 0.00 N ATOM 911 CA LYS A 54 99.987 -2.844 -7.001 1.00 0.00 C ATOM 912 C LYS A 54 101.256 -3.658 -6.767 1.00 0.00 C ATOM 913 O LYS A 54 101.233 -4.888 -6.807 1.00 0.00 O ATOM 914 CB LYS A 54 100.107 -2.076 -8.318 1.00 0.00 C ATOM 915 CG LYS A 54 100.249 -3.065 -9.476 1.00 0.00 C ATOM 916 CD LYS A 54 100.306 -2.299 -10.799 1.00 0.00 C ATOM 917 CE LYS A 54 100.441 -3.288 -11.957 1.00 0.00 C ATOM 918 NZ LYS A 54 100.506 -2.540 -13.245 1.00 0.00 N ATOM 0 H LYS A 54 99.814 -0.930 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 54 99.137 -3.525 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 54 99.228 -1.449 -8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 54 100.970 -1.411 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 54 101.153 -3.661 -9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 54 99.408 -3.758 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 54 99.405 -1.699 -10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 54 101.150 -1.609 -10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 54 101.339 -3.893 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 54 99.593 -3.973 -11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 100.598 -3.213 -14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 99.637 -1.981 -13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 101.328 -1.903 -13.236 1.00 0.00 H new ATOM 932 N ARG A 55 102.362 -2.962 -6.520 1.00 0.00 N ATOM 933 CA ARG A 55 103.637 -3.630 -6.287 1.00 0.00 C ATOM 934 C ARG A 55 103.576 -4.473 -5.018 1.00 0.00 C ATOM 935 O ARG A 55 104.200 -5.531 -4.932 1.00 0.00 O ATOM 936 CB ARG A 55 104.754 -2.594 -6.161 1.00 0.00 C ATOM 937 CG ARG A 55 105.027 -1.966 -7.529 1.00 0.00 C ATOM 938 CD ARG A 55 106.099 -0.883 -7.390 1.00 0.00 C ATOM 939 NE ARG A 55 107.366 -1.478 -6.983 1.00 0.00 N ATOM 940 CZ ARG A 55 108.190 -2.018 -7.875 1.00 0.00 C ATOM 941 NH1 ARG A 55 109.320 -2.544 -7.485 1.00 0.00 N ATOM 942 NH2 ARG A 55 107.870 -2.023 -9.140 1.00 0.00 N ATOM 0 H ARG A 55 102.401 -1.944 -6.476 1.00 0.00 H new ATOM 0 HA ARG A 55 103.843 -4.284 -7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 55 104.469 -1.822 -5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 55 105.659 -3.065 -5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 55 105.357 -2.731 -8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 55 104.111 -1.536 -7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 55 106.223 -0.360 -8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 55 105.784 -0.142 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 55 107.625 -1.480 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 55 109.570 -2.540 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 55 109.953 -2.959 -8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 55 106.987 -1.612 -9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 55 108.503 -2.437 -9.824 1.00 0.00 H new ATOM 956 N TRP A 56 102.820 -3.998 -4.033 1.00 0.00 N ATOM 957 CA TRP A 56 102.681 -4.719 -2.774 1.00 0.00 C ATOM 958 C TRP A 56 102.125 -6.118 -3.015 1.00 0.00 C ATOM 959 O TRP A 56 102.522 -7.078 -2.354 1.00 0.00 O ATOM 960 CB TRP A 56 101.749 -3.953 -1.833 1.00 0.00 C ATOM 961 CG TRP A 56 101.188 -4.891 -0.813 1.00 0.00 C ATOM 962 CD1 TRP A 56 99.870 -5.088 -0.581 1.00 0.00 C ATOM 963 CD2 TRP A 56 101.902 -5.762 0.112 1.00 0.00 C ATOM 964 NE1 TRP A 56 99.729 -6.023 0.428 1.00 0.00 N ATOM 965 CE2 TRP A 56 100.952 -6.469 0.888 1.00 0.00 C ATOM 966 CE3 TRP A 56 103.266 -6.004 0.351 1.00 0.00 C ATOM 967 CZ2 TRP A 56 101.344 -7.383 1.866 1.00 0.00 C ATOM 968 CZ3 TRP A 56 103.663 -6.924 1.335 1.00 0.00 C ATOM 969 CH2 TRP A 56 102.704 -7.613 2.091 1.00 0.00 C ATOM 0 H TRP A 56 102.298 -3.123 -4.082 1.00 0.00 H new ATOM 0 HA TRP A 56 103.667 -4.806 -2.317 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.294 -3.147 -1.341 1.00 0.00 H new ATOM 0 HB3 TRP A 56 100.941 -3.491 -2.401 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.060 -4.596 -1.099 1.00 0.00 H new ATOM 0 HE1 TRP A 56 98.831 -6.344 0.789 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.013 -5.479 -0.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 100.601 -7.910 2.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 104.714 -7.102 1.511 1.00 0.00 H new ATOM 0 HH2 TRP A 56 103.016 -8.320 2.846 1.00 0.00 H new ATOM 980 N ARG A 57 101.203 -6.227 -3.967 1.00 0.00 N ATOM 981 CA ARG A 57 100.606 -7.516 -4.294 1.00 0.00 C ATOM 982 C ARG A 57 101.644 -8.448 -4.913 1.00 0.00 C ATOM 983 O ARG A 57 101.670 -9.643 -4.622 1.00 0.00 O ATOM 984 CB ARG A 57 99.445 -7.321 -5.271 1.00 0.00 C ATOM 985 CG ARG A 57 98.782 -8.671 -5.554 1.00 0.00 C ATOM 986 CD ARG A 57 97.526 -8.456 -6.399 1.00 0.00 C ATOM 987 NE ARG A 57 97.878 -7.872 -7.689 1.00 0.00 N ATOM 988 CZ ARG A 57 98.286 -8.634 -8.698 1.00 0.00 C ATOM 989 NH1 ARG A 57 98.596 -8.089 -9.843 1.00 0.00 N ATOM 990 NH2 ARG A 57 98.377 -9.927 -8.546 1.00 0.00 N ATOM 0 H ARG A 57 100.856 -5.444 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 57 100.235 -7.966 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 57 98.716 -6.627 -4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.808 -6.880 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 57 99.477 -9.327 -6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 57 98.523 -9.164 -4.617 1.00 0.00 H new ATOM 0 HD2 ARG A 57 97.014 -9.406 -6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 57 96.833 -7.800 -5.872 1.00 0.00 H new ATOM 0 HE ARG A 57 97.810 -6.863 -7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 57 98.525 -7.079 -9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 57 98.909 -8.674 -10.618 1.00 0.00 H new ATOM 0 HH21 ARG A 57 98.135 -10.354 -7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 57 98.690 -10.511 -9.321 1.00 0.00 H new ATOM 1004 N ARG A 58 102.497 -7.891 -5.765 1.00 0.00 N ATOM 1005 CA ARG A 58 103.528 -8.683 -6.426 1.00 0.00 C ATOM 1006 C ARG A 58 104.413 -9.376 -5.395 1.00 0.00 C ATOM 1007 O ARG A 58 104.618 -10.589 -5.452 1.00 0.00 O ATOM 1008 CB ARG A 58 104.386 -7.784 -7.318 1.00 0.00 C ATOM 1009 CG ARG A 58 103.591 -7.393 -8.564 1.00 0.00 C ATOM 1010 CD ARG A 58 104.438 -6.469 -9.441 1.00 0.00 C ATOM 1011 NE ARG A 58 103.702 -6.101 -10.645 1.00 0.00 N ATOM 1012 CZ ARG A 58 103.687 -6.895 -11.712 1.00 0.00 C ATOM 1013 NH1 ARG A 58 103.022 -6.545 -12.777 1.00 0.00 N ATOM 1014 NH2 ARG A 58 104.339 -8.026 -11.692 1.00 0.00 N ATOM 0 H ARG A 58 102.496 -6.902 -6.013 1.00 0.00 H new ATOM 0 HA ARG A 58 103.041 -9.442 -7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 58 104.686 -6.891 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 58 105.300 -8.304 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 58 103.309 -8.285 -9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 58 102.667 -6.892 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 58 104.707 -5.572 -8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 58 105.369 -6.967 -9.713 1.00 0.00 H new ATOM 0 HE ARG A 58 103.190 -5.219 -10.669 1.00 0.00 H new ATOM 0 HH11 ARG A 58 102.513 -5.662 -12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 58 103.011 -7.155 -13.595 1.00 0.00 H new ATOM 0 HH21 ARG A 58 104.859 -8.300 -10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 58 104.328 -8.636 -12.510 1.00 0.00 H new ATOM 1028 N VAL A 59 104.938 -8.597 -4.454 1.00 0.00 N ATOM 1029 CA VAL A 59 105.799 -9.147 -3.413 1.00 0.00 C ATOM 1030 C VAL A 59 105.009 -10.081 -2.503 1.00 0.00 C ATOM 1031 O VAL A 59 105.544 -11.065 -1.992 1.00 0.00 O ATOM 1032 CB VAL A 59 106.404 -8.014 -2.584 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.294 -7.066 -2.126 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.108 -8.601 -1.359 1.00 0.00 C ATOM 0 H VAL A 59 104.784 -7.591 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 59 106.598 -9.714 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 59 107.123 -7.464 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 59 105.726 -6.258 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 59 104.790 -6.648 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 59 104.574 -7.615 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 59 107.540 -7.795 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 59 106.387 -9.150 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 59 107.899 -9.277 -1.683 1.00 0.00 H new ATOM 1044 N GLY A 60 103.733 -9.767 -2.304 1.00 0.00 N ATOM 1045 CA GLY A 60 102.880 -10.582 -1.448 1.00 0.00 C ATOM 1046 C GLY A 60 102.666 -11.966 -2.050 1.00 0.00 C ATOM 1047 O GLY A 60 102.776 -12.978 -1.358 1.00 0.00 O ATOM 0 H GLY A 60 103.270 -8.960 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 60 103.333 -10.677 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 60 101.918 -10.088 -1.311 1.00 0.00 H new ATOM 1051 N ASP A 61 102.363 -12.003 -3.343 1.00 0.00 N ATOM 1052 CA ASP A 61 102.123 -13.269 -4.026 1.00 0.00 C ATOM 1053 C ASP A 61 103.439 -13.991 -4.293 1.00 0.00 C ATOM 1054 O ASP A 61 103.503 -15.220 -4.257 1.00 0.00 O ATOM 1055 CB ASP A 61 101.398 -13.019 -5.350 1.00 0.00 C ATOM 1056 CG ASP A 61 99.982 -12.523 -5.082 1.00 0.00 C ATOM 1057 OD1 ASP A 61 99.434 -12.881 -4.053 1.00 0.00 O ATOM 1058 OD2 ASP A 61 99.464 -11.792 -5.912 1.00 0.00 O ATOM 0 H ASP A 61 102.278 -11.177 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 61 101.502 -13.894 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 61 101.944 -12.283 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 61 101.366 -13.938 -5.936 1.00 0.00 H new ATOM 1063 N CYS A 62 104.489 -13.220 -4.561 1.00 0.00 N ATOM 1064 CA CYS A 62 105.797 -13.798 -4.840 1.00 0.00 C ATOM 1065 C CYS A 62 106.344 -14.507 -3.605 1.00 0.00 C ATOM 1066 O CYS A 62 106.959 -15.569 -3.709 1.00 0.00 O ATOM 1067 CB CYS A 62 106.771 -12.701 -5.274 1.00 0.00 C ATOM 1068 SG CYS A 62 106.309 -12.100 -6.917 1.00 0.00 S ATOM 0 H CYS A 62 104.459 -12.201 -4.591 1.00 0.00 H new ATOM 0 HA CYS A 62 105.688 -14.526 -5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.754 -11.880 -4.557 1.00 0.00 H new ATOM 0 HB3 CYS A 62 107.789 -13.089 -5.290 1.00 0.00 H new ATOM 0 HG CYS A 62 105.303 -11.283 -6.813 1.00 0.00 H new ATOM 1074 N PHE A 63 106.117 -13.913 -2.438 1.00 0.00 N ATOM 1075 CA PHE A 63 106.597 -14.494 -1.190 1.00 0.00 C ATOM 1076 C PHE A 63 105.639 -15.576 -0.700 1.00 0.00 C ATOM 1077 O PHE A 63 106.067 -16.622 -0.212 1.00 0.00 O ATOM 1078 CB PHE A 63 106.729 -13.406 -0.124 1.00 0.00 C ATOM 1079 CG PHE A 63 108.131 -12.845 -0.148 1.00 0.00 C ATOM 1080 CD1 PHE A 63 109.023 -13.145 0.889 1.00 0.00 C ATOM 1081 CD2 PHE A 63 108.539 -12.025 -1.206 1.00 0.00 C ATOM 1082 CE1 PHE A 63 110.322 -12.626 0.867 1.00 0.00 C ATOM 1083 CE2 PHE A 63 109.840 -11.505 -1.228 1.00 0.00 C ATOM 1084 CZ PHE A 63 110.730 -11.806 -0.192 1.00 0.00 C ATOM 0 H PHE A 63 105.607 -13.036 -2.331 1.00 0.00 H new ATOM 0 HA PHE A 63 107.573 -14.944 -1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.005 -12.612 -0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 63 106.507 -13.818 0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 63 108.708 -13.777 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 63 107.851 -11.793 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 63 111.010 -12.858 1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 63 110.155 -10.872 -2.044 1.00 0.00 H new ATOM 0 HZ PHE A 63 111.733 -11.406 -0.209 1.00 0.00 H new ATOM 1094 N GLN A 64 104.343 -15.316 -0.832 1.00 0.00 N ATOM 1095 CA GLN A 64 103.333 -16.274 -0.397 1.00 0.00 C ATOM 1096 C GLN A 64 103.390 -17.537 -1.251 1.00 0.00 C ATOM 1097 O GLN A 64 103.176 -18.643 -0.755 1.00 0.00 O ATOM 1098 CB GLN A 64 101.941 -15.649 -0.500 1.00 0.00 C ATOM 1099 CG GLN A 64 100.901 -16.626 0.051 1.00 0.00 C ATOM 1100 CD GLN A 64 99.533 -15.954 0.106 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.441 -14.726 0.087 1.00 0.00 O ATOM 1102 NE2 GLN A 64 98.457 -16.690 0.173 1.00 0.00 N ATOM 0 H GLN A 64 103.969 -14.456 -1.234 1.00 0.00 H new ATOM 0 HA GLN A 64 103.535 -16.540 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 64 101.909 -14.714 0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.715 -15.408 -1.539 1.00 0.00 H new ATOM 0 HG2 GLN A 64 100.854 -17.514 -0.579 1.00 0.00 H new ATOM 0 HG3 GLN A 64 101.193 -16.957 1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 64 98.535 -17.707 0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 64 97.538 -16.248 0.210 1.00 0.00 H new ATOM 1111 N ASP A 65 103.679 -17.364 -2.536 1.00 0.00 N ATOM 1112 CA ASP A 65 103.762 -18.498 -3.450 1.00 0.00 C ATOM 1113 C ASP A 65 104.947 -19.390 -3.091 1.00 0.00 C ATOM 1114 O ASP A 65 104.794 -20.598 -2.911 1.00 0.00 O ATOM 1115 CB ASP A 65 103.914 -18.000 -4.888 1.00 0.00 C ATOM 1116 CG ASP A 65 104.326 -19.152 -5.798 1.00 0.00 C ATOM 1117 OD1 ASP A 65 104.068 -20.288 -5.436 1.00 0.00 O ATOM 1118 OD2 ASP A 65 104.893 -18.881 -6.844 1.00 0.00 O ATOM 0 H ASP A 65 103.859 -16.457 -2.966 1.00 0.00 H new ATOM 0 HA ASP A 65 102.844 -19.079 -3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 65 102.974 -17.571 -5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.661 -17.207 -4.930 1.00 0.00 H new ATOM 1123 N TYR A 66 106.126 -18.786 -2.988 1.00 0.00 N ATOM 1124 CA TYR A 66 107.331 -19.536 -2.657 1.00 0.00 C ATOM 1125 C TYR A 66 107.264 -20.050 -1.222 1.00 0.00 C ATOM 1126 O TYR A 66 107.700 -21.164 -0.930 1.00 0.00 O ATOM 1127 CB TYR A 66 108.564 -18.646 -2.825 1.00 0.00 C ATOM 1128 CG TYR A 66 109.106 -18.797 -4.226 1.00 0.00 C ATOM 1129 CD1 TYR A 66 109.654 -20.017 -4.637 1.00 0.00 C ATOM 1130 CD2 TYR A 66 109.061 -17.715 -5.113 1.00 0.00 C ATOM 1131 CE1 TYR A 66 110.156 -20.157 -5.936 1.00 0.00 C ATOM 1132 CE2 TYR A 66 109.564 -17.855 -6.412 1.00 0.00 C ATOM 1133 CZ TYR A 66 110.112 -19.075 -6.824 1.00 0.00 C ATOM 1134 OH TYR A 66 110.607 -19.212 -8.105 1.00 0.00 O ATOM 0 H TYR A 66 106.272 -17.786 -3.128 1.00 0.00 H new ATOM 0 HA TYR A 66 107.404 -20.387 -3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.303 -17.605 -2.635 1.00 0.00 H new ATOM 0 HB3 TYR A 66 109.327 -18.922 -2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 66 109.690 -20.851 -3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 66 108.639 -16.773 -4.796 1.00 0.00 H new ATOM 0 HE1 TYR A 66 110.577 -21.099 -6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 66 109.529 -17.021 -7.097 1.00 0.00 H new ATOM 0 HH TYR A 66 110.498 -18.367 -8.590 1.00 0.00 H new ATOM 1144 N TYR A 67 106.716 -19.231 -0.330 1.00 0.00 N ATOM 1145 CA TYR A 67 106.606 -19.610 1.074 1.00 0.00 C ATOM 1146 C TYR A 67 105.588 -20.733 1.247 1.00 0.00 C ATOM 1147 O TYR A 67 105.809 -21.669 2.015 1.00 0.00 O ATOM 1148 CB TYR A 67 106.180 -18.400 1.909 1.00 0.00 C ATOM 1149 CG TYR A 67 106.174 -18.775 3.371 1.00 0.00 C ATOM 1150 CD1 TYR A 67 104.971 -18.777 4.089 1.00 0.00 C ATOM 1151 CD2 TYR A 67 107.370 -19.121 4.011 1.00 0.00 C ATOM 1152 CE1 TYR A 67 104.966 -19.124 5.444 1.00 0.00 C ATOM 1153 CE2 TYR A 67 107.365 -19.469 5.366 1.00 0.00 C ATOM 1154 CZ TYR A 67 106.162 -19.470 6.084 1.00 0.00 C ATOM 1155 OH TYR A 67 106.156 -19.813 7.421 1.00 0.00 O ATOM 0 H TYR A 67 106.344 -18.308 -0.552 1.00 0.00 H new ATOM 0 HA TYR A 67 107.580 -19.962 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 67 106.864 -17.568 1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 67 105.188 -18.065 1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 67 104.048 -18.511 3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 67 108.298 -19.119 3.458 1.00 0.00 H new ATOM 0 HE1 TYR A 67 104.038 -19.125 5.997 1.00 0.00 H new ATOM 0 HE2 TYR A 67 108.288 -19.737 5.858 1.00 0.00 H new ATOM 0 HH TYR A 67 107.068 -20.026 7.708 1.00 0.00 H new ATOM 1165 N ASN A 68 104.474 -20.632 0.530 1.00 0.00 N ATOM 1166 CA ASN A 68 103.417 -21.631 0.635 1.00 0.00 C ATOM 1167 C ASN A 68 103.922 -22.996 0.180 1.00 0.00 C ATOM 1168 O ASN A 68 103.611 -24.019 0.791 1.00 0.00 O ATOM 1169 CB ASN A 68 102.221 -21.217 -0.223 1.00 0.00 C ATOM 1170 CG ASN A 68 101.153 -22.306 -0.191 1.00 0.00 C ATOM 1171 OD1 ASN A 68 101.330 -23.331 0.468 1.00 0.00 O ATOM 1172 ND2 ASN A 68 100.049 -22.145 -0.867 1.00 0.00 N ATOM 0 H ASN A 68 104.280 -19.875 -0.125 1.00 0.00 H new ATOM 0 HA ASN A 68 103.110 -21.699 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 68 101.806 -20.279 0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.543 -21.042 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.331 -22.869 -0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 68 99.904 -21.295 -1.412 1.00 0.00 H new ATOM 1179 N THR A 69 104.704 -23.005 -0.894 1.00 0.00 N ATOM 1180 CA THR A 69 105.231 -24.253 -1.433 1.00 0.00 C ATOM 1181 C THR A 69 105.865 -25.090 -0.327 1.00 0.00 C ATOM 1182 O THR A 69 106.046 -26.298 -0.476 1.00 0.00 O ATOM 1183 CB THR A 69 106.274 -23.957 -2.514 1.00 0.00 C ATOM 1184 OG1 THR A 69 107.318 -23.171 -1.957 1.00 0.00 O ATOM 1185 CG2 THR A 69 105.617 -23.195 -3.665 1.00 0.00 C ATOM 0 H THR A 69 104.985 -22.168 -1.405 1.00 0.00 H new ATOM 0 HA THR A 69 104.405 -24.815 -1.870 1.00 0.00 H new ATOM 0 HB THR A 69 106.684 -24.894 -2.891 1.00 0.00 H new ATOM 0 HG1 THR A 69 106.933 -22.407 -1.479 1.00 0.00 H new ATOM 0 HG21 THR A 69 106.361 -22.985 -4.434 1.00 0.00 H new ATOM 0 HG22 THR A 69 104.816 -23.799 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 69 105.206 -22.257 -3.292 1.00 0.00 H new ATOM 1193 N PHE A 70 106.201 -24.438 0.781 1.00 0.00 N ATOM 1194 CA PHE A 70 106.814 -25.134 1.908 1.00 0.00 C ATOM 1195 C PHE A 70 105.751 -25.571 2.911 1.00 0.00 C ATOM 1196 O PHE A 70 106.063 -25.919 4.049 1.00 0.00 O ATOM 1197 CB PHE A 70 107.824 -24.217 2.601 1.00 0.00 C ATOM 1198 CG PHE A 70 109.051 -24.072 1.731 1.00 0.00 C ATOM 1199 CD1 PHE A 70 109.258 -22.892 1.005 1.00 0.00 C ATOM 1200 CD2 PHE A 70 109.979 -25.116 1.651 1.00 0.00 C ATOM 1201 CE1 PHE A 70 110.396 -22.758 0.199 1.00 0.00 C ATOM 1202 CE2 PHE A 70 111.116 -24.981 0.845 1.00 0.00 C ATOM 1203 CZ PHE A 70 111.324 -23.802 0.120 1.00 0.00 C ATOM 0 H PHE A 70 106.061 -23.438 0.923 1.00 0.00 H new ATOM 0 HA PHE A 70 107.326 -26.019 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 70 107.378 -23.240 2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 70 108.100 -24.629 3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 70 108.541 -22.087 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 70 109.818 -26.026 2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 70 110.557 -21.849 -0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 70 111.833 -25.787 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 70 112.202 -23.698 -0.501 1.00 0.00 H new ATOM 1213 N GLY A 71 104.494 -25.550 2.480 1.00 0.00 N ATOM 1214 CA GLY A 71 103.391 -25.941 3.351 1.00 0.00 C ATOM 1215 C GLY A 71 103.613 -25.432 4.771 1.00 0.00 C ATOM 1216 O GLY A 71 103.717 -26.216 5.715 1.00 0.00 O ATOM 0 H GLY A 71 104.215 -25.269 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 71 102.455 -25.543 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 71 103.297 -27.027 3.360 1.00 0.00 H new ATOM 1220 N PRO A 72 103.685 -24.139 4.933 1.00 0.00 N ATOM 1221 CA PRO A 72 103.899 -23.501 6.264 1.00 0.00 C ATOM 1222 C PRO A 72 102.609 -23.418 7.076 1.00 0.00 C ATOM 1223 O PRO A 72 101.568 -23.003 6.566 1.00 0.00 O ATOM 1224 CB PRO A 72 104.416 -22.104 5.917 1.00 0.00 C ATOM 1225 CG PRO A 72 103.868 -21.800 4.562 1.00 0.00 C ATOM 1226 CD PRO A 72 103.569 -23.142 3.857 1.00 0.00 C ATOM 0 HA PRO A 72 104.588 -24.073 6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 72 104.082 -21.369 6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 72 105.506 -22.078 5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 72 102.961 -21.202 4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.584 -21.216 3.983 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.574 -23.147 3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.278 -23.338 3.053 1.00 0.00 H new ATOM 1234 N GLU A 73 102.686 -23.818 8.341 1.00 0.00 N ATOM 1235 CA GLU A 73 101.519 -23.780 9.216 1.00 0.00 C ATOM 1236 C GLU A 73 101.430 -22.436 9.931 1.00 0.00 C ATOM 1237 O GLU A 73 100.338 -21.948 10.221 1.00 0.00 O ATOM 1238 CB GLU A 73 101.605 -24.905 10.249 1.00 0.00 C ATOM 1239 CG GLU A 73 101.330 -26.247 9.566 1.00 0.00 C ATOM 1240 CD GLU A 73 101.388 -27.374 10.592 1.00 0.00 C ATOM 1241 OE1 GLU A 73 101.563 -27.076 11.762 1.00 0.00 O ATOM 1242 OE2 GLU A 73 101.258 -28.520 10.191 1.00 0.00 O ATOM 0 H GLU A 73 103.537 -24.170 8.781 1.00 0.00 H new ATOM 0 HA GLU A 73 100.626 -23.914 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 73 102.593 -24.915 10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.882 -24.736 11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 73 100.350 -26.228 9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.064 -26.422 8.779 1.00 0.00 H new ATOM 1249 N LYS A 74 102.585 -21.843 10.213 1.00 0.00 N ATOM 1250 CA LYS A 74 102.626 -20.568 10.920 1.00 0.00 C ATOM 1251 C LYS A 74 101.919 -19.485 10.114 1.00 0.00 C ATOM 1252 O LYS A 74 101.080 -18.754 10.641 1.00 0.00 O ATOM 1253 CB LYS A 74 104.078 -20.156 11.170 1.00 0.00 C ATOM 1254 CG LYS A 74 104.916 -21.398 11.481 1.00 0.00 C ATOM 1255 CD LYS A 74 104.289 -22.159 12.650 1.00 0.00 C ATOM 1256 CE LYS A 74 105.226 -23.286 13.087 1.00 0.00 C ATOM 1257 NZ LYS A 74 104.686 -23.931 14.317 1.00 0.00 N ATOM 0 H LYS A 74 103.499 -22.221 9.965 1.00 0.00 H new ATOM 0 HA LYS A 74 102.113 -20.687 11.874 1.00 0.00 H new ATOM 0 HB2 LYS A 74 104.478 -19.645 10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 74 104.129 -19.452 12.001 1.00 0.00 H new ATOM 0 HG2 LYS A 74 104.971 -22.041 10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 74 105.937 -21.108 11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 74 104.106 -21.480 13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 74 103.323 -22.569 12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 74 105.323 -24.023 12.290 1.00 0.00 H new ATOM 0 HE3 LYS A 74 106.223 -22.891 13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 105.322 -24.698 14.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 104.615 -23.225 15.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 103.743 -24.322 14.119 1.00 0.00 H new ATOM 1271 N VAL A 75 102.263 -19.386 8.834 1.00 0.00 N ATOM 1272 CA VAL A 75 101.657 -18.384 7.965 1.00 0.00 C ATOM 1273 C VAL A 75 101.264 -17.147 8.766 1.00 0.00 C ATOM 1274 O VAL A 75 100.120 -17.014 9.202 1.00 0.00 O ATOM 1275 CB VAL A 75 100.420 -18.965 7.280 1.00 0.00 C ATOM 1276 CG1 VAL A 75 99.743 -17.881 6.441 1.00 0.00 C ATOM 1277 CG2 VAL A 75 100.840 -20.123 6.371 1.00 0.00 C ATOM 0 H VAL A 75 102.953 -19.983 8.378 1.00 0.00 H new ATOM 0 HA VAL A 75 102.388 -18.096 7.209 1.00 0.00 H new ATOM 0 HB VAL A 75 99.723 -19.327 8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 75 98.861 -18.296 5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 75 99.445 -17.054 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 75 100.439 -17.518 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 75 99.959 -20.539 5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 75 101.537 -19.759 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 75 101.323 -20.897 6.967 1.00 0.00 H new ATOM 1287 N PRO A 76 102.190 -16.250 8.964 1.00 0.00 N ATOM 1288 CA PRO A 76 101.945 -14.991 9.726 1.00 0.00 C ATOM 1289 C PRO A 76 100.787 -14.184 9.147 1.00 0.00 C ATOM 1290 O PRO A 76 100.777 -13.856 7.960 1.00 0.00 O ATOM 1291 CB PRO A 76 103.263 -14.225 9.594 1.00 0.00 C ATOM 1292 CG PRO A 76 104.297 -15.260 9.288 1.00 0.00 C ATOM 1293 CD PRO A 76 103.576 -16.340 8.481 1.00 0.00 C ATOM 0 HA PRO A 76 101.663 -15.188 10.760 1.00 0.00 H new ATOM 0 HB2 PRO A 76 103.206 -13.480 8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 76 103.501 -13.692 10.515 1.00 0.00 H new ATOM 0 HG2 PRO A 76 105.123 -14.832 8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 76 104.721 -15.673 10.204 1.00 0.00 H new ATOM 0 HD2 PRO A 76 103.642 -16.153 7.409 1.00 0.00 H new ATOM 0 HD3 PRO A 76 104.001 -17.328 8.659 1.00 0.00 H new ATOM 1301 N VAL A 77 99.811 -13.868 9.992 1.00 0.00 N ATOM 1302 CA VAL A 77 98.643 -13.117 9.549 1.00 0.00 C ATOM 1303 C VAL A 77 98.947 -11.622 9.518 1.00 0.00 C ATOM 1304 O VAL A 77 98.292 -10.860 8.809 1.00 0.00 O ATOM 1305 CB VAL A 77 97.464 -13.381 10.488 1.00 0.00 C ATOM 1306 CG1 VAL A 77 96.245 -12.589 10.013 1.00 0.00 C ATOM 1307 CG2 VAL A 77 97.134 -14.875 10.482 1.00 0.00 C ATOM 0 H VAL A 77 99.805 -14.118 10.981 1.00 0.00 H new ATOM 0 HA VAL A 77 98.385 -13.445 8.542 1.00 0.00 H new ATOM 0 HB VAL A 77 97.728 -13.070 11.499 1.00 0.00 H new ATOM 0 HG11 VAL A 77 95.405 -12.777 10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 77 96.479 -11.524 10.015 1.00 0.00 H new ATOM 0 HG13 VAL A 77 95.980 -12.900 9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 77 96.294 -15.065 11.151 1.00 0.00 H new ATOM 0 HG22 VAL A 77 96.870 -15.185 9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 77 98.002 -15.441 10.820 1.00 0.00 H new ATOM 1317 N THR A 78 99.944 -11.211 10.295 1.00 0.00 N ATOM 1318 CA THR A 78 100.333 -9.806 10.343 1.00 0.00 C ATOM 1319 C THR A 78 100.395 -9.220 8.936 1.00 0.00 C ATOM 1320 O THR A 78 100.129 -8.035 8.734 1.00 0.00 O ATOM 1321 CB THR A 78 101.698 -9.664 11.018 1.00 0.00 C ATOM 1322 OG1 THR A 78 102.710 -10.135 10.139 1.00 0.00 O ATOM 1323 CG2 THR A 78 101.719 -10.484 12.309 1.00 0.00 C ATOM 0 H THR A 78 100.494 -11.825 10.896 1.00 0.00 H new ATOM 0 HA THR A 78 99.586 -9.261 10.919 1.00 0.00 H new ATOM 0 HB THR A 78 101.880 -8.615 11.254 1.00 0.00 H new ATOM 0 HG1 THR A 78 103.586 -10.043 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.692 -10.382 12.789 1.00 0.00 H new ATOM 0 HG22 THR A 78 100.942 -10.122 12.983 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.537 -11.533 12.077 1.00 0.00 H new ATOM 1331 N ALA A 79 100.748 -10.057 7.966 1.00 0.00 N ATOM 1332 CA ALA A 79 100.828 -9.614 6.578 1.00 0.00 C ATOM 1333 C ALA A 79 99.494 -9.029 6.126 1.00 0.00 C ATOM 1334 O ALA A 79 99.456 -8.081 5.341 1.00 0.00 O ATOM 1335 CB ALA A 79 101.205 -10.790 5.676 1.00 0.00 C ATOM 0 H ALA A 79 100.982 -11.039 8.113 1.00 0.00 H new ATOM 0 HA ALA A 79 101.594 -8.842 6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 79 101.263 -10.451 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 79 102.173 -11.188 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 79 100.449 -11.570 5.761 1.00 0.00 H new ATOM 1341 N PHE A 80 98.403 -9.600 6.626 1.00 0.00 N ATOM 1342 CA PHE A 80 97.071 -9.135 6.254 1.00 0.00 C ATOM 1343 C PHE A 80 96.762 -7.802 6.927 1.00 0.00 C ATOM 1344 O PHE A 80 96.089 -6.947 6.351 1.00 0.00 O ATOM 1345 CB PHE A 80 96.023 -10.172 6.663 1.00 0.00 C ATOM 1346 CG PHE A 80 96.003 -11.295 5.655 1.00 0.00 C ATOM 1347 CD1 PHE A 80 94.979 -11.362 4.703 1.00 0.00 C ATOM 1348 CD2 PHE A 80 97.009 -12.268 5.671 1.00 0.00 C ATOM 1349 CE1 PHE A 80 94.960 -12.403 3.768 1.00 0.00 C ATOM 1350 CE2 PHE A 80 96.991 -13.310 4.735 1.00 0.00 C ATOM 1351 CZ PHE A 80 95.966 -13.377 3.784 1.00 0.00 C ATOM 0 H PHE A 80 98.414 -10.379 7.284 1.00 0.00 H new ATOM 0 HA PHE A 80 97.043 -8.998 5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 80 96.251 -10.563 7.654 1.00 0.00 H new ATOM 0 HB3 PHE A 80 95.039 -9.706 6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 80 94.204 -10.610 4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 80 97.799 -12.215 6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 80 94.169 -12.455 3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 80 97.767 -14.061 4.747 1.00 0.00 H new ATOM 0 HZ PHE A 80 95.951 -14.180 3.062 1.00 0.00 H new ATOM 1361 N SER A 81 97.257 -7.631 8.148 1.00 0.00 N ATOM 1362 CA SER A 81 97.019 -6.402 8.893 1.00 0.00 C ATOM 1363 C SER A 81 97.766 -5.235 8.255 1.00 0.00 C ATOM 1364 O SER A 81 97.263 -4.112 8.212 1.00 0.00 O ATOM 1365 CB SER A 81 97.477 -6.571 10.342 1.00 0.00 C ATOM 1366 OG SER A 81 98.860 -6.896 10.361 1.00 0.00 O ATOM 0 H SER A 81 97.822 -8.324 8.640 1.00 0.00 H new ATOM 0 HA SER A 81 95.950 -6.190 8.873 1.00 0.00 H new ATOM 0 HB2 SER A 81 97.300 -5.652 10.901 1.00 0.00 H new ATOM 0 HB3 SER A 81 96.900 -7.357 10.829 1.00 0.00 H new ATOM 0 HG SER A 81 99.105 -7.332 9.518 1.00 0.00 H new ATOM 1372 N TYR A 82 98.969 -5.509 7.761 1.00 0.00 N ATOM 1373 CA TYR A 82 99.778 -4.473 7.128 1.00 0.00 C ATOM 1374 C TYR A 82 99.068 -3.917 5.897 1.00 0.00 C ATOM 1375 O TYR A 82 98.951 -2.703 5.733 1.00 0.00 O ATOM 1376 CB TYR A 82 101.136 -5.047 6.721 1.00 0.00 C ATOM 1377 CG TYR A 82 102.164 -4.702 7.771 1.00 0.00 C ATOM 1378 CD1 TYR A 82 102.519 -5.648 8.740 1.00 0.00 C ATOM 1379 CD2 TYR A 82 102.762 -3.437 7.776 1.00 0.00 C ATOM 1380 CE1 TYR A 82 103.471 -5.328 9.714 1.00 0.00 C ATOM 1381 CE2 TYR A 82 103.716 -3.116 8.749 1.00 0.00 C ATOM 1382 CZ TYR A 82 104.071 -4.063 9.719 1.00 0.00 C ATOM 1383 OH TYR A 82 105.010 -3.747 10.680 1.00 0.00 O ATOM 0 H TYR A 82 99.403 -6.432 7.786 1.00 0.00 H new ATOM 0 HA TYR A 82 99.926 -3.665 7.844 1.00 0.00 H new ATOM 0 HB2 TYR A 82 101.066 -6.129 6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 82 101.438 -4.644 5.755 1.00 0.00 H new ATOM 0 HD1 TYR A 82 102.058 -6.625 8.736 1.00 0.00 H new ATOM 0 HD2 TYR A 82 102.487 -2.708 7.028 1.00 0.00 H new ATOM 0 HE1 TYR A 82 103.743 -6.057 10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 82 104.178 -2.140 8.752 1.00 0.00 H new ATOM 0 HH TYR A 82 105.327 -2.831 10.539 1.00 0.00 H new ATOM 1393 N TRP A 83 98.596 -4.813 5.037 1.00 0.00 N ATOM 1394 CA TRP A 83 97.920 -4.399 3.812 1.00 0.00 C ATOM 1395 C TRP A 83 96.680 -3.573 4.138 1.00 0.00 C ATOM 1396 O TRP A 83 96.369 -2.604 3.446 1.00 0.00 O ATOM 1397 CB TRP A 83 97.517 -5.629 2.998 1.00 0.00 C ATOM 1398 CG TRP A 83 96.567 -5.222 1.918 1.00 0.00 C ATOM 1399 CD1 TRP A 83 96.866 -4.396 0.890 1.00 0.00 C ATOM 1400 CD2 TRP A 83 95.172 -5.606 1.742 1.00 0.00 C ATOM 1401 NE1 TRP A 83 95.744 -4.249 0.094 1.00 0.00 N ATOM 1402 CE2 TRP A 83 94.674 -4.975 0.577 1.00 0.00 C ATOM 1403 CE3 TRP A 83 94.299 -6.433 2.472 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 93.358 -5.157 0.152 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 92.973 -6.619 2.048 1.00 0.00 C ATOM 1406 CH2 TRP A 83 92.504 -5.982 0.890 1.00 0.00 C ATOM 0 H TRP A 83 98.668 -5.823 5.163 1.00 0.00 H new ATOM 0 HA TRP A 83 98.607 -3.787 3.228 1.00 0.00 H new ATOM 0 HB2 TRP A 83 98.401 -6.096 2.563 1.00 0.00 H new ATOM 0 HB3 TRP A 83 97.051 -6.371 3.646 1.00 0.00 H new ATOM 0 HD1 TRP A 83 97.824 -3.928 0.718 1.00 0.00 H new ATOM 0 HE1 TRP A 83 95.711 -3.674 -0.748 1.00 0.00 H new ATOM 0 HE3 TRP A 83 94.651 -6.928 3.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 93.001 -4.664 -0.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 92.311 -7.256 2.617 1.00 0.00 H new ATOM 0 HH2 TRP A 83 91.483 -6.129 0.568 1.00 0.00 H new ATOM 1417 N ASN A 84 95.976 -3.964 5.196 1.00 0.00 N ATOM 1418 CA ASN A 84 94.755 -3.269 5.585 1.00 0.00 C ATOM 1419 C ASN A 84 95.059 -1.827 5.978 1.00 0.00 C ATOM 1420 O ASN A 84 94.431 -0.892 5.481 1.00 0.00 O ATOM 1421 CB ASN A 84 94.096 -3.991 6.762 1.00 0.00 C ATOM 1422 CG ASN A 84 93.312 -5.198 6.260 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.977 -5.274 5.079 1.00 0.00 O ATOM 1424 ND2 ASN A 84 92.997 -6.153 7.093 1.00 0.00 N ATOM 0 H ASN A 84 96.227 -4.751 5.794 1.00 0.00 H new ATOM 0 HA ASN A 84 94.075 -3.265 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.856 -4.311 7.474 1.00 0.00 H new ATOM 0 HB3 ASN A 84 93.430 -3.309 7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.472 -6.964 6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 84 93.276 -6.088 8.072 1.00 0.00 H new ATOM 1431 N LEU A 85 96.028 -1.654 6.872 1.00 0.00 N ATOM 1432 CA LEU A 85 96.397 -0.322 7.336 1.00 0.00 C ATOM 1433 C LEU A 85 96.981 0.502 6.192 1.00 0.00 C ATOM 1434 O LEU A 85 96.567 1.636 5.957 1.00 0.00 O ATOM 1435 CB LEU A 85 97.422 -0.428 8.467 1.00 0.00 C ATOM 1436 CG LEU A 85 97.876 0.974 8.877 1.00 0.00 C ATOM 1437 CD1 LEU A 85 96.673 1.774 9.381 1.00 0.00 C ATOM 1438 CD2 LEU A 85 98.918 0.864 9.993 1.00 0.00 C ATOM 0 H LEU A 85 96.568 -2.414 7.287 1.00 0.00 H new ATOM 0 HA LEU A 85 95.500 0.175 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 85 96.985 -0.945 9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.278 -1.019 8.142 1.00 0.00 H new ATOM 0 HG LEU A 85 98.314 1.481 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 85 96.997 2.773 9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 85 95.929 1.851 8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.235 1.269 10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.243 1.862 10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.479 0.358 10.852 1.00 0.00 H new ATOM 0 HD23 LEU A 85 99.775 0.294 9.635 1.00 0.00 H new ATOM 1450 N ILE A 86 97.945 -0.078 5.485 1.00 0.00 N ATOM 1451 CA ILE A 86 98.586 0.616 4.373 1.00 0.00 C ATOM 1452 C ILE A 86 97.566 0.945 3.288 1.00 0.00 C ATOM 1453 O ILE A 86 97.599 2.025 2.698 1.00 0.00 O ATOM 1454 CB ILE A 86 99.697 -0.255 3.786 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.056 0.264 4.262 1.00 0.00 C ATOM 1456 CG2 ILE A 86 99.638 -0.196 2.257 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.086 -0.866 4.196 1.00 0.00 C ATOM 0 H ILE A 86 98.298 -1.019 5.660 1.00 0.00 H new ATOM 0 HA ILE A 86 99.014 1.546 4.747 1.00 0.00 H new ATOM 0 HB ILE A 86 99.564 -1.285 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.377 1.099 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 86 100.977 0.639 5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 86 100.430 -0.817 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 86 98.670 -0.563 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 86 99.772 0.834 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.054 -0.496 4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 86 101.766 -1.687 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.172 -1.220 3.169 1.00 0.00 H new ATOM 1469 N LYS A 87 96.661 0.007 3.029 1.00 0.00 N ATOM 1470 CA LYS A 87 95.637 0.207 2.010 1.00 0.00 C ATOM 1471 C LYS A 87 94.924 1.538 2.221 1.00 0.00 C ATOM 1472 O LYS A 87 94.767 2.325 1.288 1.00 0.00 O ATOM 1473 CB LYS A 87 94.619 -0.934 2.061 1.00 0.00 C ATOM 1474 CG LYS A 87 93.295 -0.464 1.459 1.00 0.00 C ATOM 1475 CD LYS A 87 92.380 -1.669 1.231 1.00 0.00 C ATOM 1476 CE LYS A 87 91.065 -1.201 0.603 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.212 -2.385 0.299 1.00 0.00 N ATOM 0 H LYS A 87 96.615 -0.893 3.507 1.00 0.00 H new ATOM 0 HA LYS A 87 96.121 0.218 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 87 94.995 -1.796 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.468 -1.255 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 87 92.813 0.250 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 87 93.475 0.052 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 87 92.869 -2.392 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.184 -2.174 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 87 90.543 -0.528 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.265 -0.639 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.318 -2.068 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 90.711 -3.011 -0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 90.011 -2.903 1.178 1.00 0.00 H new ATOM 1491 N GLU A 88 94.494 1.784 3.455 1.00 0.00 N ATOM 1492 CA GLU A 88 93.776 3.013 3.772 1.00 0.00 C ATOM 1493 C GLU A 88 94.756 4.146 4.059 1.00 0.00 C ATOM 1494 O GLU A 88 94.388 5.321 4.030 1.00 0.00 O ATOM 1495 CB GLU A 88 92.877 2.793 4.991 1.00 0.00 C ATOM 1496 CG GLU A 88 93.631 3.192 6.261 1.00 0.00 C ATOM 1497 CD GLU A 88 93.527 4.699 6.476 1.00 0.00 C ATOM 1498 OE1 GLU A 88 94.518 5.290 6.872 1.00 0.00 O ATOM 1499 OE2 GLU A 88 92.458 5.238 6.242 1.00 0.00 O ATOM 0 H GLU A 88 94.629 1.154 4.246 1.00 0.00 H new ATOM 0 HA GLU A 88 93.163 3.286 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 88 91.966 3.384 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 88 92.574 1.748 5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 88 93.218 2.664 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 88 94.678 2.899 6.180 1.00 0.00 H new ATOM 1506 N LEU A 89 96.006 3.786 4.336 1.00 0.00 N ATOM 1507 CA LEU A 89 97.020 4.780 4.666 1.00 0.00 C ATOM 1508 C LEU A 89 97.217 5.752 3.506 1.00 0.00 C ATOM 1509 O LEU A 89 97.319 6.961 3.708 1.00 0.00 O ATOM 1510 CB LEU A 89 98.347 4.086 4.983 1.00 0.00 C ATOM 1511 CG LEU A 89 99.341 5.111 5.532 1.00 0.00 C ATOM 1512 CD1 LEU A 89 98.819 5.669 6.857 1.00 0.00 C ATOM 1513 CD2 LEU A 89 100.694 4.434 5.763 1.00 0.00 C ATOM 0 H LEU A 89 96.338 2.822 4.339 1.00 0.00 H new ATOM 0 HA LEU A 89 96.683 5.338 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 89 98.189 3.291 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 89 98.749 3.619 4.084 1.00 0.00 H new ATOM 0 HG LEU A 89 99.457 5.924 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 89 99.527 6.399 7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 89 97.854 6.150 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 89 98.703 4.856 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 89 101.404 5.163 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 89 100.577 3.621 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 89 101.067 4.035 4.820 1.00 0.00 H new ATOM 1525 N ILE A 90 97.269 5.213 2.292 1.00 0.00 N ATOM 1526 CA ILE A 90 97.463 6.041 1.107 1.00 0.00 C ATOM 1527 C ILE A 90 96.314 7.032 0.953 1.00 0.00 C ATOM 1528 O ILE A 90 96.532 8.213 0.685 1.00 0.00 O ATOM 1529 CB ILE A 90 97.550 5.158 -0.138 1.00 0.00 C ATOM 1530 CG1 ILE A 90 98.834 4.327 -0.085 1.00 0.00 C ATOM 1531 CG2 ILE A 90 97.566 6.039 -1.388 1.00 0.00 C ATOM 1532 CD1 ILE A 90 98.997 3.554 -1.395 1.00 0.00 C ATOM 0 H ILE A 90 97.180 4.214 2.104 1.00 0.00 H new ATOM 0 HA ILE A 90 98.394 6.597 1.222 1.00 0.00 H new ATOM 0 HB ILE A 90 96.687 4.493 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 90 99.694 4.977 0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 90 98.797 3.634 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 90 97.628 5.410 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 90 96.652 6.632 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 90 98.429 6.704 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 90 99.912 2.962 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 90 98.142 2.892 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 90 99.053 4.256 -2.227 1.00 0.00 H new ATOM 1544 N ASP A 91 95.090 6.542 1.123 1.00 0.00 N ATOM 1545 CA ASP A 91 93.913 7.393 0.996 1.00 0.00 C ATOM 1546 C ASP A 91 93.920 8.482 2.064 1.00 0.00 C ATOM 1547 O ASP A 91 93.138 9.430 2.004 1.00 0.00 O ATOM 1548 CB ASP A 91 92.643 6.552 1.132 1.00 0.00 C ATOM 1549 CG ASP A 91 92.483 5.649 -0.087 1.00 0.00 C ATOM 1550 OD1 ASP A 91 93.179 5.876 -1.063 1.00 0.00 O ATOM 1551 OD2 ASP A 91 91.667 4.744 -0.026 1.00 0.00 O ATOM 0 H ASP A 91 94.888 5.568 1.347 1.00 0.00 H new ATOM 0 HA ASP A 91 93.934 7.864 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 91 92.692 5.948 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 91 91.774 7.203 1.229 1.00 0.00 H new ATOM 1556 N LYS A 92 94.811 8.339 3.041 1.00 0.00 N ATOM 1557 CA LYS A 92 94.913 9.318 4.117 1.00 0.00 C ATOM 1558 C LYS A 92 95.314 10.682 3.565 1.00 0.00 C ATOM 1559 O LYS A 92 94.776 11.711 3.974 1.00 0.00 O ATOM 1560 CB LYS A 92 95.949 8.858 5.145 1.00 0.00 C ATOM 1561 CG LYS A 92 95.734 9.611 6.459 1.00 0.00 C ATOM 1562 CD LYS A 92 96.697 9.074 7.519 1.00 0.00 C ATOM 1563 CE LYS A 92 96.455 9.800 8.844 1.00 0.00 C ATOM 1564 NZ LYS A 92 97.333 9.216 9.898 1.00 0.00 N ATOM 0 H LYS A 92 95.467 7.561 3.109 1.00 0.00 H new ATOM 0 HA LYS A 92 93.938 9.405 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 92 95.861 7.784 5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 92 96.956 9.041 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 92 95.899 10.678 6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 92 94.704 9.491 6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 92 96.551 8.002 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 92 97.728 9.219 7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 92 96.663 10.864 8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 92 95.409 9.708 9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 97.169 9.709 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 97.114 8.206 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 98.329 9.325 9.620 1.00 0.00 H new ATOM 1578 N LYS A 93 96.261 10.682 2.633 1.00 0.00 N ATOM 1579 CA LYS A 93 96.725 11.926 2.030 1.00 0.00 C ATOM 1580 C LYS A 93 97.081 11.710 0.562 1.00 0.00 C ATOM 1581 O LYS A 93 97.412 10.598 0.150 1.00 0.00 O ATOM 1582 CB LYS A 93 97.952 12.446 2.783 1.00 0.00 C ATOM 1583 CG LYS A 93 97.524 12.974 4.153 1.00 0.00 C ATOM 1584 CD LYS A 93 98.747 13.512 4.898 1.00 0.00 C ATOM 1585 CE LYS A 93 98.327 13.996 6.287 1.00 0.00 C ATOM 1586 NZ LYS A 93 99.529 14.456 7.038 1.00 0.00 N ATOM 0 H LYS A 93 96.719 9.842 2.281 1.00 0.00 H new ATOM 0 HA LYS A 93 95.922 12.660 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 93 98.684 11.647 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 93 98.434 13.238 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 93 96.781 13.763 4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.054 12.178 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 93 99.504 12.733 4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 93 99.197 14.331 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 93 97.607 14.810 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 93 97.832 13.191 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 99.243 14.785 7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 100.201 13.668 7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 99.983 15.237 6.522 1.00 0.00 H new ATOM 1600 N GLU A 94 97.009 12.780 -0.222 1.00 0.00 N ATOM 1601 CA GLU A 94 97.334 12.698 -1.642 1.00 0.00 C ATOM 1602 C GLU A 94 98.829 12.472 -1.838 1.00 0.00 C ATOM 1603 O GLU A 94 99.406 12.899 -2.838 1.00 0.00 O ATOM 1604 CB GLU A 94 96.914 13.988 -2.350 1.00 0.00 C ATOM 1605 CG GLU A 94 95.388 14.103 -2.338 1.00 0.00 C ATOM 1606 CD GLU A 94 94.777 13.026 -3.229 1.00 0.00 C ATOM 1607 OE1 GLU A 94 95.484 12.524 -4.088 1.00 0.00 O ATOM 1608 OE2 GLU A 94 93.612 12.718 -3.039 1.00 0.00 O ATOM 0 H GLU A 94 96.731 13.708 0.098 1.00 0.00 H new ATOM 0 HA GLU A 94 96.792 11.855 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 94 97.358 14.850 -1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 94 97.281 13.988 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 94 95.015 13.998 -1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 94 95.087 15.090 -2.688 1.00 0.00 H new ATOM 1615 N VAL A 95 99.452 11.799 -0.876 1.00 0.00 N ATOM 1616 CA VAL A 95 100.883 11.528 -0.950 1.00 0.00 C ATOM 1617 C VAL A 95 101.613 12.682 -1.631 1.00 0.00 C ATOM 1618 O VAL A 95 101.136 13.816 -1.630 1.00 0.00 O ATOM 1619 CB VAL A 95 101.130 10.235 -1.730 1.00 0.00 C ATOM 1620 CG1 VAL A 95 100.419 9.074 -1.032 1.00 0.00 C ATOM 1621 CG2 VAL A 95 100.583 10.386 -3.151 1.00 0.00 C ATOM 0 H VAL A 95 98.992 11.434 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 95 101.266 11.419 0.065 1.00 0.00 H new ATOM 0 HB VAL A 95 102.201 10.034 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 95 100.595 8.153 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 95 100.806 8.966 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 95 99.348 9.275 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 95 100.758 9.466 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 95 99.512 10.587 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 95 101.088 11.213 -3.649 1.00 0.00 H new ATOM 1631 N ASN A 96 102.770 12.383 -2.210 1.00 0.00 N ATOM 1632 CA ASN A 96 103.562 13.406 -2.883 1.00 0.00 C ATOM 1633 C ASN A 96 104.442 12.780 -3.961 1.00 0.00 C ATOM 1634 O ASN A 96 104.484 11.559 -4.113 1.00 0.00 O ATOM 1635 CB ASN A 96 104.441 14.139 -1.868 1.00 0.00 C ATOM 1636 CG ASN A 96 105.864 13.595 -1.920 1.00 0.00 C ATOM 1637 OD1 ASN A 96 106.065 12.398 -2.130 1.00 0.00 O ATOM 1638 ND2 ASN A 96 106.870 14.406 -1.740 1.00 0.00 N ATOM 0 H ASN A 96 103.178 11.448 -2.227 1.00 0.00 H new ATOM 0 HA ASN A 96 102.880 14.115 -3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 96 104.444 15.208 -2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 96 104.032 14.016 -0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 96 107.825 14.049 -1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 96 106.702 15.397 -1.566 1.00 0.00 H new ATOM 1645 N PRO A 97 105.138 13.595 -4.704 1.00 0.00 N ATOM 1646 CA PRO A 97 105.999 13.129 -5.829 1.00 0.00 C ATOM 1647 C PRO A 97 106.982 12.046 -5.390 1.00 0.00 C ATOM 1648 O PRO A 97 107.321 11.151 -6.164 1.00 0.00 O ATOM 1649 CB PRO A 97 106.740 14.392 -6.269 1.00 0.00 C ATOM 1650 CG PRO A 97 105.876 15.531 -5.837 1.00 0.00 C ATOM 1651 CD PRO A 97 105.182 15.057 -4.550 1.00 0.00 C ATOM 0 HA PRO A 97 105.415 12.674 -6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 97 107.726 14.450 -5.807 1.00 0.00 H new ATOM 0 HB3 PRO A 97 106.892 14.402 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 97 106.470 16.427 -5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 97 105.146 15.783 -6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 97 105.740 15.351 -3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 97 104.183 15.481 -4.453 1.00 0.00 H new ATOM 1659 N GLN A 98 107.434 12.135 -4.143 1.00 0.00 N ATOM 1660 CA GLN A 98 108.384 11.161 -3.615 1.00 0.00 C ATOM 1661 C GLN A 98 108.066 9.765 -4.137 1.00 0.00 C ATOM 1662 O GLN A 98 108.922 8.880 -4.133 1.00 0.00 O ATOM 1663 CB GLN A 98 108.334 11.161 -2.086 1.00 0.00 C ATOM 1664 CG GLN A 98 107.263 10.177 -1.611 1.00 0.00 C ATOM 1665 CD GLN A 98 106.790 10.558 -0.212 1.00 0.00 C ATOM 1666 OE1 GLN A 98 106.628 11.741 0.090 1.00 0.00 O ATOM 1667 NE2 GLN A 98 106.556 9.620 0.666 1.00 0.00 N ATOM 0 H GLN A 98 107.161 12.864 -3.484 1.00 0.00 H new ATOM 0 HA GLN A 98 109.384 11.440 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 98 109.306 10.881 -1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 98 108.111 12.163 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 98 106.421 10.181 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 98 107.665 9.164 -1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 98 106.691 8.641 0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 98 106.239 9.867 1.603 1.00 0.00 H new ATOM 1676 N VAL A 99 106.829 9.573 -4.586 1.00 0.00 N ATOM 1677 CA VAL A 99 106.416 8.285 -5.131 1.00 0.00 C ATOM 1678 C VAL A 99 107.234 7.941 -6.373 1.00 0.00 C ATOM 1679 O VAL A 99 107.695 6.811 -6.531 1.00 0.00 O ATOM 1680 CB VAL A 99 104.930 8.323 -5.492 1.00 0.00 C ATOM 1681 CG1 VAL A 99 104.529 6.999 -6.143 1.00 0.00 C ATOM 1682 CG2 VAL A 99 104.104 8.537 -4.222 1.00 0.00 C ATOM 0 H VAL A 99 106.101 10.287 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 99 106.587 7.520 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 99 104.746 9.141 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 99 103.470 7.026 -6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 99 105.118 6.845 -7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 99 104.712 6.181 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 99 103.045 8.564 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 99 104.288 7.719 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 99 104.390 9.480 -3.757 1.00 0.00 H new ATOM 1692 N MET A 100 107.411 8.925 -7.249 1.00 0.00 N ATOM 1693 CA MET A 100 108.162 8.710 -8.481 1.00 0.00 C ATOM 1694 C MET A 100 109.649 8.550 -8.182 1.00 0.00 C ATOM 1695 O MET A 100 110.325 7.710 -8.776 1.00 0.00 O ATOM 1696 CB MET A 100 107.956 9.892 -9.431 1.00 0.00 C ATOM 1697 CG MET A 100 106.511 9.897 -9.934 1.00 0.00 C ATOM 1698 SD MET A 100 106.277 11.276 -11.082 1.00 0.00 S ATOM 1699 CE MET A 100 106.377 12.608 -9.861 1.00 0.00 C ATOM 0 H MET A 100 107.048 9.871 -7.131 1.00 0.00 H new ATOM 0 HA MET A 100 107.797 7.797 -8.951 1.00 0.00 H new ATOM 0 HB2 MET A 100 108.177 10.828 -8.917 1.00 0.00 H new ATOM 0 HB3 MET A 100 108.645 9.820 -10.273 1.00 0.00 H new ATOM 0 HG2 MET A 100 106.284 8.954 -10.431 1.00 0.00 H new ATOM 0 HG3 MET A 100 105.822 9.988 -9.094 1.00 0.00 H new ATOM 0 HE1 MET A 100 105.767 13.449 -10.190 1.00 0.00 H new ATOM 0 HE2 MET A 100 106.011 12.248 -8.899 1.00 0.00 H new ATOM 0 HE3 MET A 100 107.413 12.930 -9.758 1.00 0.00 H new ATOM 1709 N ALA A 101 110.151 9.360 -7.256 1.00 0.00 N ATOM 1710 CA ALA A 101 111.564 9.311 -6.898 1.00 0.00 C ATOM 1711 C ALA A 101 111.938 7.926 -6.380 1.00 0.00 C ATOM 1712 O ALA A 101 113.101 7.526 -6.432 1.00 0.00 O ATOM 1713 CB ALA A 101 111.869 10.358 -5.825 1.00 0.00 C ATOM 0 H ALA A 101 109.606 10.053 -6.743 1.00 0.00 H new ATOM 0 HA ALA A 101 112.152 9.524 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 101 112.926 10.314 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 101 111.630 11.351 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 101 111.268 10.156 -4.938 1.00 0.00 H new ATOM 1719 N ALA A 102 110.945 7.199 -5.879 1.00 0.00 N ATOM 1720 CA ALA A 102 111.181 5.857 -5.359 1.00 0.00 C ATOM 1721 C ALA A 102 111.501 4.891 -6.494 1.00 0.00 C ATOM 1722 O ALA A 102 112.375 4.034 -6.366 1.00 0.00 O ATOM 1723 CB ALA A 102 109.944 5.366 -4.603 1.00 0.00 C ATOM 0 H ALA A 102 109.976 7.513 -5.822 1.00 0.00 H new ATOM 0 HA ALA A 102 112.032 5.895 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 102 110.127 4.363 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 102 109.733 6.041 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 102 109.089 5.344 -5.279 1.00 0.00 H new ATOM 1729 N VAL A 103 110.788 5.035 -7.606 1.00 0.00 N ATOM 1730 CA VAL A 103 111.022 4.186 -8.769 1.00 0.00 C ATOM 1731 C VAL A 103 112.488 4.241 -9.187 1.00 0.00 C ATOM 1732 O VAL A 103 113.078 3.224 -9.553 1.00 0.00 O ATOM 1733 CB VAL A 103 110.141 4.638 -9.933 1.00 0.00 C ATOM 1734 CG1 VAL A 103 110.590 3.939 -11.217 1.00 0.00 C ATOM 1735 CG2 VAL A 103 108.683 4.276 -9.640 1.00 0.00 C ATOM 0 H VAL A 103 110.048 5.727 -7.727 1.00 0.00 H new ATOM 0 HA VAL A 103 110.770 3.160 -8.501 1.00 0.00 H new ATOM 0 HB VAL A 103 110.231 5.717 -10.057 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.961 4.262 -12.046 1.00 0.00 H new ATOM 0 HG12 VAL A 103 111.628 4.196 -11.427 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.501 2.860 -11.094 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.054 4.598 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 103 108.594 3.197 -9.515 1.00 0.00 H new ATOM 0 HG23 VAL A 103 108.361 4.775 -8.726 1.00 0.00 H new ATOM 1745 N ALA A 104 113.070 5.434 -9.129 1.00 0.00 N ATOM 1746 CA ALA A 104 114.472 5.607 -9.488 1.00 0.00 C ATOM 1747 C ALA A 104 115.349 4.627 -8.716 1.00 0.00 C ATOM 1748 O ALA A 104 116.540 4.487 -8.998 1.00 0.00 O ATOM 1749 CB ALA A 104 114.917 7.039 -9.186 1.00 0.00 C ATOM 0 H ALA A 104 112.596 6.290 -8.839 1.00 0.00 H new ATOM 0 HA ALA A 104 114.580 5.411 -10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 104 115.966 7.159 -9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 104 114.311 7.738 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 104 114.792 7.242 -8.122 1.00 0.00 H new ATOM 1755 N GLN A 105 114.753 3.950 -7.740 1.00 0.00 N ATOM 1756 CA GLN A 105 115.492 2.995 -6.923 1.00 0.00 C ATOM 1757 C GLN A 105 116.715 3.658 -6.298 1.00 0.00 C ATOM 1758 O GLN A 105 116.590 4.495 -5.404 1.00 0.00 O ATOM 1759 CB GLN A 105 115.935 1.807 -7.780 1.00 0.00 C ATOM 1760 CG GLN A 105 114.745 0.875 -8.016 1.00 0.00 C ATOM 1761 CD GLN A 105 115.098 -0.162 -9.077 1.00 0.00 C ATOM 1762 OE1 GLN A 105 116.244 -0.231 -9.522 1.00 0.00 O ATOM 1763 NE2 GLN A 105 114.176 -0.977 -9.511 1.00 0.00 N ATOM 0 H GLN A 105 113.767 4.044 -7.497 1.00 0.00 H new ATOM 0 HA GLN A 105 114.837 2.643 -6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 105 116.329 2.160 -8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 105 116.740 1.267 -7.283 1.00 0.00 H new ATOM 0 HG2 GLN A 105 114.472 0.377 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 105 113.877 1.453 -8.335 1.00 0.00 H new ATOM 0 HE21 GLN A 105 113.227 -0.918 -9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 105 114.404 -1.673 -10.221 1.00 0.00 H new ATOM 1772 N THR A 106 117.897 3.278 -6.775 1.00 0.00 N ATOM 1773 CA THR A 106 119.136 3.845 -6.255 1.00 0.00 C ATOM 1774 C THR A 106 120.012 4.353 -7.395 1.00 0.00 C ATOM 1775 O THR A 106 120.317 3.616 -8.333 1.00 0.00 O ATOM 1776 CB THR A 106 119.899 2.785 -5.456 1.00 0.00 C ATOM 1777 OG1 THR A 106 119.082 2.320 -4.390 1.00 0.00 O ATOM 1778 CG2 THR A 106 121.181 3.395 -4.890 1.00 0.00 C ATOM 0 H THR A 106 118.022 2.586 -7.514 1.00 0.00 H new ATOM 0 HA THR A 106 118.886 4.682 -5.603 1.00 0.00 H new ATOM 0 HB THR A 106 120.155 1.951 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 106 119.098 2.971 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 106 121.723 2.639 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 106 121.806 3.752 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 106 120.929 4.230 -4.236 1.00 0.00 H new ATOM 1786 N GLU A 107 120.413 5.617 -7.307 1.00 0.00 N ATOM 1787 CA GLU A 107 121.252 6.215 -8.340 1.00 0.00 C ATOM 1788 C GLU A 107 122.387 7.018 -7.711 1.00 0.00 C ATOM 1789 O GLU A 107 122.225 7.607 -6.643 1.00 0.00 O ATOM 1790 CB GLU A 107 120.410 7.131 -9.231 1.00 0.00 C ATOM 1791 CG GLU A 107 119.380 6.297 -9.993 1.00 0.00 C ATOM 1792 CD GLU A 107 118.532 7.200 -10.882 1.00 0.00 C ATOM 1793 OE1 GLU A 107 117.626 6.689 -11.519 1.00 0.00 O ATOM 1794 OE2 GLU A 107 118.802 8.389 -10.914 1.00 0.00 O ATOM 0 H GLU A 107 120.173 6.243 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 107 121.680 5.414 -8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 107 119.907 7.884 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 107 121.052 7.664 -9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.885 5.546 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 107 118.742 5.762 -9.290 1.00 0.00 H new ATOM 1801 N GLU A 108 123.535 7.033 -8.380 1.00 0.00 N ATOM 1802 CA GLU A 108 124.687 7.776 -7.882 1.00 0.00 C ATOM 1803 C GLU A 108 124.579 9.250 -8.260 1.00 0.00 C ATOM 1804 O GLU A 108 124.513 9.595 -9.439 1.00 0.00 O ATOM 1805 CB GLU A 108 125.976 7.193 -8.464 1.00 0.00 C ATOM 1806 CG GLU A 108 126.189 5.779 -7.919 1.00 0.00 C ATOM 1807 CD GLU A 108 127.407 5.143 -8.580 1.00 0.00 C ATOM 1808 OE1 GLU A 108 128.087 5.837 -9.316 1.00 0.00 O ATOM 1809 OE2 GLU A 108 127.642 3.970 -8.340 1.00 0.00 O ATOM 0 H GLU A 108 123.692 6.544 -9.261 1.00 0.00 H new ATOM 0 HA GLU A 108 124.707 7.691 -6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 108 125.918 7.170 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 108 126.824 7.826 -8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 108 126.328 5.814 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 108 125.304 5.171 -8.107 1.00 0.00 H new ATOM 1816 N ILE A 109 124.559 10.115 -7.249 1.00 0.00 N ATOM 1817 CA ILE A 109 124.450 11.549 -7.487 1.00 0.00 C ATOM 1818 C ILE A 109 125.449 11.993 -8.551 1.00 0.00 C ATOM 1819 O ILE A 109 125.260 13.020 -9.203 1.00 0.00 O ATOM 1820 CB ILE A 109 124.711 12.314 -6.188 1.00 0.00 C ATOM 1821 CG1 ILE A 109 126.098 11.951 -5.653 1.00 0.00 C ATOM 1822 CG2 ILE A 109 123.651 11.937 -5.152 1.00 0.00 C ATOM 1823 CD1 ILE A 109 126.477 12.911 -4.525 1.00 0.00 C ATOM 0 H ILE A 109 124.616 9.850 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 109 123.441 11.765 -7.840 1.00 0.00 H new ATOM 0 HB ILE A 109 124.664 13.386 -6.382 1.00 0.00 H new ATOM 0 HG12 ILE A 109 126.101 10.924 -5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 109 126.835 12.006 -6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 109 123.837 12.482 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 109 122.663 12.194 -5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 109 123.697 10.865 -4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 109 127.465 12.653 -4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 109 126.491 13.932 -4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 109 125.746 12.834 -3.720 1.00 0.00 H new ATOM 1835 N LEU A 110 126.512 11.213 -8.721 1.00 0.00 N ATOM 1836 CA LEU A 110 127.533 11.535 -9.710 1.00 0.00 C ATOM 1837 C LEU A 110 126.967 11.417 -11.122 1.00 0.00 C ATOM 1838 O LEU A 110 127.290 12.216 -12.000 1.00 0.00 O ATOM 1839 CB LEU A 110 128.726 10.591 -9.556 1.00 0.00 C ATOM 1840 CG LEU A 110 129.334 10.761 -8.163 1.00 0.00 C ATOM 1841 CD1 LEU A 110 130.493 9.777 -7.988 1.00 0.00 C ATOM 1842 CD2 LEU A 110 129.853 12.191 -8.006 1.00 0.00 C ATOM 0 H LEU A 110 126.688 10.360 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 110 127.860 12.562 -9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 110 128.408 9.559 -9.702 1.00 0.00 H new ATOM 0 HB3 LEU A 110 129.474 10.805 -10.320 1.00 0.00 H new ATOM 0 HG LEU A 110 128.573 10.564 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 110 130.926 9.898 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 110 130.125 8.757 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 110 131.254 9.974 -8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 110 130.287 12.314 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 110 130.614 12.387 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 110 129.029 12.893 -8.131 1.00 0.00 H new ATOM 1854 N LYS A 111 126.121 10.413 -11.332 1.00 0.00 N ATOM 1855 CA LYS A 111 125.522 10.193 -12.643 1.00 0.00 C ATOM 1856 C LYS A 111 124.622 11.365 -13.024 1.00 0.00 C ATOM 1857 O LYS A 111 124.484 11.698 -14.201 1.00 0.00 O ATOM 1858 CB LYS A 111 124.704 8.901 -12.635 1.00 0.00 C ATOM 1859 CG LYS A 111 124.228 8.587 -14.055 1.00 0.00 C ATOM 1860 CD LYS A 111 123.475 7.256 -14.059 1.00 0.00 C ATOM 1861 CE LYS A 111 123.023 6.929 -15.483 1.00 0.00 C ATOM 1862 NZ LYS A 111 122.377 5.587 -15.504 1.00 0.00 N ATOM 0 H LYS A 111 125.837 9.744 -10.617 1.00 0.00 H new ATOM 0 HA LYS A 111 126.323 10.110 -13.378 1.00 0.00 H new ATOM 0 HB2 LYS A 111 125.308 8.078 -12.253 1.00 0.00 H new ATOM 0 HB3 LYS A 111 123.848 9.005 -11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 111 123.579 9.385 -14.417 1.00 0.00 H new ATOM 0 HG3 LYS A 111 125.080 8.537 -14.733 1.00 0.00 H new ATOM 0 HD2 LYS A 111 124.117 6.462 -13.679 1.00 0.00 H new ATOM 0 HD3 LYS A 111 122.612 7.313 -13.396 1.00 0.00 H new ATOM 0 HE2 LYS A 111 122.324 7.686 -15.837 1.00 0.00 H new ATOM 0 HE3 LYS A 111 123.878 6.943 -16.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 122.070 5.365 -16.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 123.058 4.869 -15.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 121.552 5.589 -14.871 1.00 0.00 H new ATOM 1876 N SER A 112 124.012 11.987 -12.020 1.00 0.00 N ATOM 1877 CA SER A 112 123.125 13.119 -12.262 1.00 0.00 C ATOM 1878 C SER A 112 123.883 14.258 -12.935 1.00 0.00 C ATOM 1879 O SER A 112 123.413 14.835 -13.916 1.00 0.00 O ATOM 1880 CB SER A 112 122.532 13.608 -10.940 1.00 0.00 C ATOM 1881 OG SER A 112 121.696 14.731 -11.188 1.00 0.00 O ATOM 0 H SER A 112 124.114 11.729 -11.039 1.00 0.00 H new ATOM 0 HA SER A 112 122.321 12.793 -12.922 1.00 0.00 H new ATOM 0 HB2 SER A 112 121.959 12.810 -10.468 1.00 0.00 H new ATOM 0 HB3 SER A 112 123.330 13.879 -10.248 1.00 0.00 H new ATOM 0 HG SER A 112 121.313 15.046 -10.343 1.00 0.00 H new ATOM 1887 N ASN A 113 125.058 14.578 -12.402 1.00 0.00 N ATOM 1888 CA ASN A 113 125.872 15.651 -12.960 1.00 0.00 C ATOM 1889 C ASN A 113 126.394 15.265 -14.341 1.00 0.00 C ATOM 1890 O ASN A 113 126.376 16.073 -15.269 1.00 0.00 O ATOM 1891 CB ASN A 113 127.051 15.949 -12.031 1.00 0.00 C ATOM 1892 CG ASN A 113 127.918 17.052 -12.628 1.00 0.00 C ATOM 1893 OD1 ASN A 113 127.410 17.943 -13.309 1.00 0.00 O ATOM 1894 ND2 ASN A 113 129.205 17.047 -12.410 1.00 0.00 N ATOM 0 H ASN A 113 125.465 14.113 -11.590 1.00 0.00 H new ATOM 0 HA ASN A 113 125.251 16.542 -13.055 1.00 0.00 H new ATOM 0 HB2 ASN A 113 126.685 16.253 -11.051 1.00 0.00 H new ATOM 0 HB3 ASN A 113 127.645 15.047 -11.883 1.00 0.00 H new ATOM 0 HD21 ASN A 113 129.792 17.782 -12.804 1.00 0.00 H new ATOM 0 HD22 ASN A 113 129.624 16.308 -11.845 1.00 0.00 H new ATOM 1901 N SER A 114 126.859 14.027 -14.467 1.00 0.00 N ATOM 1902 CA SER A 114 127.383 13.544 -15.740 1.00 0.00 C ATOM 1903 C SER A 114 127.531 12.026 -15.717 1.00 0.00 C ATOM 1904 O SER A 114 127.672 11.423 -14.654 1.00 0.00 O ATOM 1905 CB SER A 114 128.739 14.187 -16.024 1.00 0.00 C ATOM 1906 OG SER A 114 129.630 13.897 -14.954 1.00 0.00 O ATOM 0 H SER A 114 126.884 13.344 -13.710 1.00 0.00 H new ATOM 0 HA SER A 114 126.681 13.817 -16.528 1.00 0.00 H new ATOM 0 HB2 SER A 114 129.144 13.809 -16.963 1.00 0.00 H new ATOM 0 HB3 SER A 114 128.627 15.265 -16.137 1.00 0.00 H new ATOM 0 HG SER A 114 130.418 13.429 -15.302 1.00 0.00 H new ATOM 1912 N GLN A 115 127.500 11.416 -16.897 1.00 0.00 N ATOM 1913 CA GLN A 115 127.639 9.968 -17.001 1.00 0.00 C ATOM 1914 C GLN A 115 129.068 9.592 -17.377 1.00 0.00 C ATOM 1915 O GLN A 115 129.294 8.647 -18.133 1.00 0.00 O ATOM 1916 CB GLN A 115 126.672 9.425 -18.056 1.00 0.00 C ATOM 1917 CG GLN A 115 125.265 9.960 -17.783 1.00 0.00 C ATOM 1918 CD GLN A 115 124.285 9.396 -18.807 1.00 0.00 C ATOM 1919 OE1 GLN A 115 124.664 8.578 -19.644 1.00 0.00 O ATOM 1920 NE2 GLN A 115 123.040 9.788 -18.788 1.00 0.00 N ATOM 0 H GLN A 115 127.381 11.897 -17.788 1.00 0.00 H new ATOM 0 HA GLN A 115 127.403 9.529 -16.032 1.00 0.00 H new ATOM 0 HB2 GLN A 115 126.999 9.723 -19.052 1.00 0.00 H new ATOM 0 HB3 GLN A 115 126.669 8.335 -18.035 1.00 0.00 H new ATOM 0 HG2 GLN A 115 124.951 9.684 -16.776 1.00 0.00 H new ATOM 0 HG3 GLN A 115 125.266 11.049 -17.829 1.00 0.00 H new ATOM 0 HE21 GLN A 115 122.729 10.466 -18.092 1.00 0.00 H new ATOM 0 HE22 GLN A 115 122.378 9.416 -19.469 1.00 0.00 H new ATOM 1929 N THR A 116 130.031 10.339 -16.845 1.00 0.00 N ATOM 1930 CA THR A 116 131.435 10.074 -17.133 1.00 0.00 C ATOM 1931 C THR A 116 131.835 8.693 -16.625 1.00 0.00 C ATOM 1932 O THR A 116 132.523 7.941 -17.317 1.00 0.00 O ATOM 1933 CB THR A 116 132.314 11.137 -16.468 1.00 0.00 C ATOM 1934 OG1 THR A 116 131.780 12.427 -16.741 1.00 0.00 O ATOM 1935 CG2 THR A 116 133.737 11.044 -17.020 1.00 0.00 C ATOM 0 H THR A 116 129.866 11.126 -16.217 1.00 0.00 H new ATOM 0 HA THR A 116 131.577 10.107 -18.213 1.00 0.00 H new ATOM 0 HB THR A 116 132.335 10.971 -15.391 1.00 0.00 H new ATOM 0 HG1 THR A 116 132.340 13.110 -16.315 1.00 0.00 H new ATOM 0 HG21 THR A 116 134.361 11.801 -16.546 1.00 0.00 H new ATOM 0 HG22 THR A 116 134.144 10.055 -16.811 1.00 0.00 H new ATOM 0 HG23 THR A 116 133.721 11.210 -18.097 1.00 0.00 H new ATOM 1943 N ASP A 117 131.400 8.365 -15.413 1.00 0.00 N ATOM 1944 CA ASP A 117 131.726 7.073 -14.818 1.00 0.00 C ATOM 1945 C ASP A 117 131.184 5.936 -15.678 1.00 0.00 C ATOM 1946 O ASP A 117 131.894 4.972 -15.969 1.00 0.00 O ATOM 1947 CB ASP A 117 131.133 6.980 -13.412 1.00 0.00 C ATOM 1948 CG ASP A 117 131.537 5.662 -12.761 1.00 0.00 C ATOM 1949 OD1 ASP A 117 132.116 4.838 -13.449 1.00 0.00 O ATOM 1950 OD2 ASP A 117 131.261 5.496 -11.584 1.00 0.00 O ATOM 0 H ASP A 117 130.825 8.970 -14.827 1.00 0.00 H new ATOM 0 HA ASP A 117 132.811 6.984 -14.760 1.00 0.00 H new ATOM 0 HB2 ASP A 117 131.481 7.816 -12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 117 130.047 7.053 -13.461 1.00 0.00 H new ATOM 1955 N LEU A 118 129.923 6.053 -16.080 1.00 0.00 N ATOM 1956 CA LEU A 118 129.294 5.023 -16.899 1.00 0.00 C ATOM 1957 C LEU A 118 129.411 5.372 -18.379 1.00 0.00 C ATOM 1958 O LEU A 118 128.902 4.652 -19.238 1.00 0.00 O ATOM 1959 CB LEU A 118 127.818 4.884 -16.520 1.00 0.00 C ATOM 1960 CG LEU A 118 127.703 4.507 -15.043 1.00 0.00 C ATOM 1961 CD1 LEU A 118 126.227 4.446 -14.645 1.00 0.00 C ATOM 1962 CD2 LEU A 118 128.348 3.138 -14.817 1.00 0.00 C ATOM 0 H LEU A 118 129.320 6.844 -15.854 1.00 0.00 H new ATOM 0 HA LEU A 118 129.805 4.078 -16.718 1.00 0.00 H new ATOM 0 HB2 LEU A 118 127.294 5.821 -16.709 1.00 0.00 H new ATOM 0 HB3 LEU A 118 127.343 4.122 -17.139 1.00 0.00 H new ATOM 0 HG LEU A 118 128.212 5.255 -14.436 1.00 0.00 H new ATOM 0 HD11 LEU A 118 126.145 4.177 -13.592 1.00 0.00 H new ATOM 0 HD12 LEU A 118 125.766 5.420 -14.808 1.00 0.00 H new ATOM 0 HD13 LEU A 118 125.717 3.697 -15.251 1.00 0.00 H new ATOM 0 HD21 LEU A 118 128.267 2.867 -13.764 1.00 0.00 H new ATOM 0 HD22 LEU A 118 127.837 2.391 -15.424 1.00 0.00 H new ATOM 0 HD23 LEU A 118 129.399 3.180 -15.101 1.00 0.00 H new ATOM 1974 N GLU A 119 130.087 6.479 -18.670 1.00 0.00 N ATOM 1975 CA GLU A 119 130.264 6.913 -20.051 1.00 0.00 C ATOM 1976 C GLU A 119 128.976 6.716 -20.844 1.00 0.00 C ATOM 1977 O GLU A 119 127.902 6.537 -20.268 1.00 0.00 O ATOM 1978 CB GLU A 119 131.395 6.119 -20.708 1.00 0.00 C ATOM 1979 CG GLU A 119 132.722 6.465 -20.029 1.00 0.00 C ATOM 1980 CD GLU A 119 133.842 5.609 -20.609 1.00 0.00 C ATOM 1981 OE1 GLU A 119 134.946 5.683 -20.093 1.00 0.00 O ATOM 1982 OE2 GLU A 119 133.582 4.892 -21.561 1.00 0.00 O ATOM 0 H GLU A 119 130.518 7.088 -17.974 1.00 0.00 H new ATOM 0 HA GLU A 119 130.518 7.973 -20.048 1.00 0.00 H new ATOM 0 HB2 GLU A 119 131.199 5.050 -20.625 1.00 0.00 H new ATOM 0 HB3 GLU A 119 131.447 6.352 -21.772 1.00 0.00 H new ATOM 0 HG2 GLU A 119 132.949 7.521 -20.172 1.00 0.00 H new ATOM 0 HG3 GLU A 119 132.645 6.298 -18.955 1.00 0.00 H new ATOM 1989 N HIS A 120 129.090 6.752 -22.167 1.00 0.00 N ATOM 1990 CA HIS A 120 127.927 6.573 -23.030 1.00 0.00 C ATOM 1991 C HIS A 120 127.358 5.167 -22.878 1.00 0.00 C ATOM 1992 O HIS A 120 126.145 4.983 -22.789 1.00 0.00 O ATOM 1993 CB HIS A 120 128.318 6.813 -24.489 1.00 0.00 C ATOM 1994 CG HIS A 120 128.423 8.291 -24.744 1.00 0.00 C ATOM 1995 ND1 HIS A 120 127.321 9.064 -25.076 1.00 0.00 N ATOM 1996 CD2 HIS A 120 129.492 9.153 -24.720 1.00 0.00 C ATOM 1997 CE1 HIS A 120 127.748 10.330 -25.237 1.00 0.00 C ATOM 1998 NE2 HIS A 120 129.063 10.440 -25.031 1.00 0.00 N ATOM 0 H HIS A 120 129.969 6.902 -22.663 1.00 0.00 H new ATOM 0 HA HIS A 120 127.165 7.294 -22.735 1.00 0.00 H new ATOM 0 HB2 HIS A 120 129.269 6.327 -24.706 1.00 0.00 H new ATOM 0 HB3 HIS A 120 127.575 6.371 -25.153 1.00 0.00 H new ATOM 0 HD2 HIS A 120 130.511 8.874 -24.494 1.00 0.00 H new ATOM 0 HE1 HIS A 120 127.105 11.157 -25.501 1.00 0.00 H new ATOM 0 HE2 HIS A 120 129.631 11.285 -25.089 1.00 0.00 H new ATOM 2007 N HIS A 121 128.243 4.176 -22.849 1.00 0.00 N ATOM 2008 CA HIS A 121 127.817 2.787 -22.715 1.00 0.00 C ATOM 2009 C HIS A 121 127.680 2.408 -21.244 1.00 0.00 C ATOM 2010 O HIS A 121 128.646 2.470 -20.485 1.00 0.00 O ATOM 2011 CB HIS A 121 128.831 1.862 -23.391 1.00 0.00 C ATOM 2012 CG HIS A 121 128.713 1.995 -24.884 1.00 0.00 C ATOM 2013 ND1 HIS A 121 129.139 3.126 -25.562 1.00 0.00 N ATOM 2014 CD2 HIS A 121 128.221 1.146 -25.844 1.00 0.00 C ATOM 2015 CE1 HIS A 121 128.897 2.930 -26.871 1.00 0.00 C ATOM 2016 NE2 HIS A 121 128.338 1.739 -27.097 1.00 0.00 N ATOM 0 H HIS A 121 129.252 4.307 -22.916 1.00 0.00 H new ATOM 0 HA HIS A 121 126.846 2.676 -23.198 1.00 0.00 H new ATOM 0 HB2 HIS A 121 129.841 2.117 -23.071 1.00 0.00 H new ATOM 0 HB3 HIS A 121 128.653 0.829 -23.092 1.00 0.00 H new ATOM 0 HD2 HIS A 121 127.806 0.167 -25.655 1.00 0.00 H new ATOM 0 HE1 HIS A 121 129.127 3.648 -27.644 1.00 0.00 H new ATOM 0 HE2 HIS A 121 128.057 1.348 -27.996 1.00 0.00 H new ATOM 2025 N HIS A 122 126.473 2.015 -20.849 1.00 0.00 N ATOM 2026 CA HIS A 122 126.222 1.628 -19.465 1.00 0.00 C ATOM 2027 C HIS A 122 127.077 0.425 -19.081 1.00 0.00 C ATOM 2028 O HIS A 122 127.669 0.391 -18.003 1.00 0.00 O ATOM 2029 CB HIS A 122 124.743 1.285 -19.280 1.00 0.00 C ATOM 2030 CG HIS A 122 123.920 2.541 -19.379 1.00 0.00 C ATOM 2031 ND1 HIS A 122 124.046 3.581 -18.471 1.00 0.00 N ATOM 2032 CD2 HIS A 122 122.957 2.938 -20.273 1.00 0.00 C ATOM 2033 CE1 HIS A 122 123.180 4.544 -18.836 1.00 0.00 C ATOM 2034 NE2 HIS A 122 122.491 4.203 -19.928 1.00 0.00 N ATOM 0 H HIS A 122 125.660 1.956 -21.462 1.00 0.00 H new ATOM 0 HA HIS A 122 126.485 2.466 -18.820 1.00 0.00 H new ATOM 0 HB2 HIS A 122 124.427 0.570 -20.039 1.00 0.00 H new ATOM 0 HB3 HIS A 122 124.587 0.811 -18.311 1.00 0.00 H new ATOM 0 HD2 HIS A 122 122.613 2.357 -21.116 1.00 0.00 H new ATOM 0 HE1 HIS A 122 123.057 5.479 -18.310 1.00 0.00 H new ATOM 0 HE2 HIS A 122 121.777 4.752 -20.406 1.00 0.00 H new ATOM 2043 N HIS A 123 127.138 -0.560 -19.971 1.00 0.00 N ATOM 2044 CA HIS A 123 127.923 -1.761 -19.714 1.00 0.00 C ATOM 2045 C HIS A 123 129.062 -1.883 -20.722 1.00 0.00 C ATOM 2046 O HIS A 123 128.835 -1.876 -21.932 1.00 0.00 O ATOM 2047 CB HIS A 123 127.029 -2.999 -19.800 1.00 0.00 C ATOM 2048 CG HIS A 123 127.630 -4.109 -18.983 1.00 0.00 C ATOM 2049 ND1 HIS A 123 127.591 -4.113 -17.597 1.00 0.00 N ATOM 2050 CD2 HIS A 123 128.286 -5.260 -19.342 1.00 0.00 C ATOM 2051 CE1 HIS A 123 128.208 -5.233 -17.178 1.00 0.00 C ATOM 2052 NE2 HIS A 123 128.651 -5.967 -18.201 1.00 0.00 N ATOM 0 H HIS A 123 126.657 -0.551 -20.870 1.00 0.00 H new ATOM 0 HA HIS A 123 128.346 -1.688 -18.712 1.00 0.00 H new ATOM 0 HB2 HIS A 123 126.029 -2.765 -19.435 1.00 0.00 H new ATOM 0 HB3 HIS A 123 126.924 -3.313 -20.838 1.00 0.00 H new ATOM 0 HD2 HIS A 123 128.488 -5.570 -20.357 1.00 0.00 H new ATOM 0 HE1 HIS A 123 128.330 -5.505 -16.140 1.00 0.00 H new ATOM 0 HE2 HIS A 123 129.150 -6.855 -18.156 1.00 0.00 H new ATOM 2061 N HIS A 124 130.285 -1.996 -20.215 1.00 0.00 N ATOM 2062 CA HIS A 124 131.452 -2.116 -21.082 1.00 0.00 C ATOM 2063 C HIS A 124 131.528 -3.513 -21.688 1.00 0.00 C ATOM 2064 O HIS A 124 131.124 -4.494 -21.064 1.00 0.00 O ATOM 2065 CB HIS A 124 132.726 -1.833 -20.284 1.00 0.00 C ATOM 2066 CG HIS A 124 132.748 -0.388 -19.869 1.00 0.00 C ATOM 2067 ND1 HIS A 124 132.390 0.020 -18.594 1.00 0.00 N ATOM 2068 CD2 HIS A 124 133.082 0.757 -20.549 1.00 0.00 C ATOM 2069 CE1 HIS A 124 132.517 1.360 -18.546 1.00 0.00 C ATOM 2070 NE2 HIS A 124 132.936 1.859 -19.713 1.00 0.00 N ATOM 0 H HIS A 124 130.493 -2.007 -19.217 1.00 0.00 H new ATOM 0 HA HIS A 124 131.359 -1.388 -21.888 1.00 0.00 H new ATOM 0 HB2 HIS A 124 132.767 -2.476 -19.404 1.00 0.00 H new ATOM 0 HB3 HIS A 124 133.604 -2.062 -20.888 1.00 0.00 H new ATOM 0 HD2 HIS A 124 133.409 0.796 -21.578 1.00 0.00 H new ATOM 0 HE1 HIS A 124 132.306 1.958 -17.672 1.00 0.00 H new ATOM 0 HE2 HIS A 124 133.111 2.838 -19.941 1.00 0.00 H new ATOM 2079 N HIS A 125 132.048 -3.596 -22.908 1.00 0.00 N ATOM 2080 CA HIS A 125 132.172 -4.879 -23.590 1.00 0.00 C ATOM 2081 C HIS A 125 130.827 -5.598 -23.629 1.00 0.00 C ATOM 2082 O HIS A 125 129.827 -4.930 -23.840 1.00 0.00 O ATOM 2083 CB HIS A 125 133.199 -5.755 -22.872 1.00 0.00 C ATOM 2084 CG HIS A 125 134.545 -5.086 -22.911 1.00 0.00 C ATOM 2085 ND1 HIS A 125 135.210 -4.834 -24.101 1.00 0.00 N ATOM 2086 CD2 HIS A 125 135.363 -4.611 -21.916 1.00 0.00 C ATOM 2087 CE1 HIS A 125 136.375 -4.233 -23.795 1.00 0.00 C ATOM 2088 NE2 HIS A 125 136.517 -4.072 -22.477 1.00 0.00 N ATOM 2089 OXT HIS A 125 130.816 -6.803 -23.447 1.00 0.00 O ATOM 0 H HIS A 125 132.388 -2.796 -23.442 1.00 0.00 H new ATOM 0 HA HIS A 125 132.503 -4.695 -24.612 1.00 0.00 H new ATOM 0 HB2 HIS A 125 132.893 -5.920 -21.839 1.00 0.00 H new ATOM 0 HB3 HIS A 125 133.254 -6.734 -23.348 1.00 0.00 H new ATOM 0 HD2 HIS A 125 135.144 -4.650 -20.859 1.00 0.00 H new ATOM 0 HE1 HIS A 125 137.105 -3.919 -24.526 1.00 0.00 H new ATOM 0 HE2 HIS A 125 137.303 -3.645 -21.986 1.00 0.00 H new TER 2098 HIS A 125