USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1061 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 MET CE :methyl -175:sc= -0.136 (180deg=-0.237) USER MOD Set 1.2: A 131 MET CE :methyl -147:sc= -0.413 (180deg=-0.537) USER MOD Set 2.1: A 73 CYS SG : rot 15:sc= 1.26 USER MOD Set 2.2: A 91 HIS :FLIP no HD1:sc= -0.139 F(o=2.7,f=3.6) USER MOD Set 2.3: A 96 THR OG1 : rot -99:sc= 0.68 USER MOD Set 2.4: A 116 THR OG1 : rot -84:sc= 1.79 USER MOD Set 3.1: A 108 GLN : amide:sc= 1.01 K(o=1.9,f=-7.2!) USER MOD Set 3.2: A 110 HIS : no HE2:sc= 0.907 K(o=1.9,f=-5!) USER MOD Set 4.1: A 82 HIS : no HE2:sc= 0.922 K(o=2.2,f=-3.8) USER MOD Set 4.2: A 88 SER OG : rot -148:sc= 1.29 USER MOD Set 5.1: A 46 HIS : no HD1:sc= -0.877 K(o=-1.3,f=-4.5!) USER MOD Set 5.2: A 58 CYS SG : rot 180:sc= -0.456 USER MOD Set 5.3: A 100 GLN : amide:sc= 0 K(o=-1.3,f=-2.2) USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.116) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0232 (180deg=-0.00629) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 1.83 (180deg=1.79) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -25:sc= 0.618 USER MOD Single : A 11 ASN : amide:sc= 0.891 K(o=0.89,f=-0.0032) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0576 K(o=-0.058,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot 73:sc= 0.878 USER MOD Single : A 30 ASN : amide:sc= -0.0463 K(o=-0.046,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.49 K(o=1.5,f=-5.4!) USER MOD Single : A 40 TYR OH : rot 7:sc= 0.889 USER MOD Single : A 41 ASN : amide:sc= -1.61! C(o=-1.6!,f=-7.4!) USER MOD Single : A 44 THR OG1 : rot -49:sc= 0.147 USER MOD Single : A 54 SER OG : rot 90:sc= 0.563 USER MOD Single : A 55 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.88) USER MOD Single : A 62 ASN : amide:sc= -0.0498 K(o=-0.05,f=-1.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc=-0.00833 X(o=-0.0083,f=-0.3) USER MOD Single : A 78 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.2!) USER MOD Single : A 80 HIS : no HD1:sc= -1.03 K(o=-1,f=-3.3!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 87 MET CE :methyl 155:sc= -0.0751 (180deg=-0.575) USER MOD Single : A 89 MET CE :methyl -172:sc= -0.0135 (180deg=-0.0919) USER MOD Single : A 98 SER OG : rot 141:sc= 0.106 USER MOD Single : A 99 CYS SG : rot 92:sc= 0.607 USER MOD Single : A 105 HIS : no HD1:sc= -0.355 K(o=-0.35,f=-4!) USER MOD Single : A 115 HIS : no HD1:sc= 0.45 K(o=0.45,f=-6.1!) USER MOD Single : A 120 GLN : amide:sc= 0.797 K(o=0.8,f=-0.94) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -173:sc= 0 (180deg=-0.0219) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.693 K(o=-0.69,f=-5.6!) USER MOD Single : A 137 MET CE :methyl -141:sc= -0.24 (180deg=-0.619) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 167:sc= 0.876 (180deg=0.605) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.249 4.943 -13.818 1.00 0.00 N ATOM 2 CA MET A 1 -6.418 3.772 -14.069 1.00 0.00 C ATOM 3 C MET A 1 -5.997 3.106 -12.766 1.00 0.00 C ATOM 4 O MET A 1 -5.788 3.775 -11.754 1.00 0.00 O ATOM 5 CB MET A 1 -5.189 4.162 -14.888 1.00 0.00 C ATOM 6 CG MET A 1 -5.490 4.539 -16.333 1.00 0.00 C ATOM 7 SD MET A 1 -3.996 4.856 -17.293 1.00 0.00 S ATOM 8 CE MET A 1 -3.473 6.421 -16.598 1.00 0.00 C ATOM 0 H1 MET A 1 -8.226 4.746 -14.115 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.235 5.168 -12.803 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.880 5.752 -14.357 1.00 0.00 H new ATOM 0 HA MET A 1 -7.009 3.054 -14.638 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.695 5.003 -14.401 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.484 3.331 -14.881 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.056 3.735 -16.804 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.123 5.426 -16.349 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.655 6.828 -17.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.309 7.120 -16.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.135 6.269 -15.573 1.00 0.00 H new ATOM 18 N ALA A 2 -5.874 1.783 -12.796 1.00 0.00 N ATOM 19 CA ALA A 2 -5.413 1.029 -11.637 1.00 0.00 C ATOM 20 C ALA A 2 -3.940 1.295 -11.357 1.00 0.00 C ATOM 21 O ALA A 2 -3.173 1.610 -12.267 1.00 0.00 O ATOM 22 CB ALA A 2 -5.653 -0.460 -11.843 1.00 0.00 C ATOM 0 H ALA A 2 -6.088 1.210 -13.613 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.985 1.361 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.303 -1.009 -10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.719 -0.641 -11.983 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.109 -0.798 -12.725 1.00 0.00 H new ATOM 28 N LYS A 3 -3.550 1.165 -10.094 1.00 0.00 N ATOM 29 CA LYS A 3 -2.177 1.436 -9.684 1.00 0.00 C ATOM 30 C LYS A 3 -1.609 0.283 -8.865 1.00 0.00 C ATOM 31 O LYS A 3 -2.349 -0.442 -8.200 1.00 0.00 O ATOM 32 CB LYS A 3 -2.103 2.736 -8.883 1.00 0.00 C ATOM 33 CG LYS A 3 -2.482 3.983 -9.671 1.00 0.00 C ATOM 34 CD LYS A 3 -2.494 5.217 -8.780 1.00 0.00 C ATOM 35 CE LYS A 3 -2.968 6.445 -9.543 1.00 0.00 C ATOM 36 NZ LYS A 3 -1.862 7.094 -10.298 1.00 0.00 N ATOM 0 H LYS A 3 -4.166 0.873 -9.335 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.575 1.542 -10.586 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.761 2.654 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.089 2.856 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.775 4.128 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.466 3.847 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.146 5.044 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.493 5.394 -8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.760 6.158 -10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.399 7.162 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.246 7.864 -10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.166 7.481 -9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.400 6.391 -10.910 1.00 0.00 H new ATOM 50 N LYS A 4 -0.291 0.119 -8.919 1.00 0.00 N ATOM 51 CA LYS A 4 0.394 -0.854 -8.077 1.00 0.00 C ATOM 52 C LYS A 4 1.647 -0.255 -7.451 1.00 0.00 C ATOM 53 O LYS A 4 2.036 0.868 -7.771 1.00 0.00 O ATOM 54 CB LYS A 4 0.754 -2.102 -8.885 1.00 0.00 C ATOM 55 CG LYS A 4 -0.444 -2.861 -9.438 1.00 0.00 C ATOM 56 CD LYS A 4 -0.015 -4.148 -10.125 1.00 0.00 C ATOM 57 CE LYS A 4 -1.211 -4.906 -10.682 1.00 0.00 C ATOM 58 NZ LYS A 4 -0.840 -6.271 -11.141 1.00 0.00 N ATOM 0 H LYS A 4 0.324 0.648 -9.538 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.286 -1.137 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.398 -1.810 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.334 -2.774 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.136 -3.092 -8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.981 -2.230 -10.146 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.679 -3.917 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.520 -4.780 -9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.983 -4.978 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.639 -4.347 -11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.683 -6.753 -11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.122 -6.202 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.455 -6.814 -10.341 1.00 0.00 H new ATOM 72 N GLY A 5 2.276 -1.012 -6.559 1.00 0.00 N ATOM 73 CA GLY A 5 3.534 -0.594 -5.950 1.00 0.00 C ATOM 74 C GLY A 5 4.201 -1.749 -5.215 1.00 0.00 C ATOM 75 O GLY A 5 3.672 -2.860 -5.175 1.00 0.00 O ATOM 0 H GLY A 5 1.935 -1.919 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.205 -0.214 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.350 0.225 -5.255 1.00 0.00 H new ATOM 79 N TYR A 6 5.365 -1.480 -4.634 1.00 0.00 N ATOM 80 CA TYR A 6 6.083 -2.483 -3.857 1.00 0.00 C ATOM 81 C TYR A 6 6.928 -1.836 -2.767 1.00 0.00 C ATOM 82 O TYR A 6 7.424 -0.721 -2.934 1.00 0.00 O ATOM 83 CB TYR A 6 6.962 -3.341 -4.771 1.00 0.00 C ATOM 84 CG TYR A 6 8.048 -2.561 -5.479 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.275 -2.364 -4.861 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.818 -2.043 -6.745 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.267 -1.652 -5.507 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.810 -1.332 -7.391 1.00 0.00 C ATOM 89 CZ TYR A 6 10.031 -1.135 -6.777 1.00 0.00 C ATOM 90 OH TYR A 6 11.019 -0.426 -7.420 1.00 0.00 O ATOM 0 H TYR A 6 5.832 -0.575 -4.687 1.00 0.00 H new ATOM 0 HA TYR A 6 5.344 -3.124 -3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.422 -4.132 -4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.331 -3.826 -5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.454 -2.767 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.863 -2.196 -7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.222 -1.497 -5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.631 -0.930 -8.377 1.00 0.00 H new ATOM 0 HH TYR A 6 11.627 -0.037 -6.757 1.00 0.00 H new ATOM 100 N ILE A 7 7.090 -2.542 -1.654 1.00 0.00 N ATOM 101 CA ILE A 7 8.032 -2.133 -0.618 1.00 0.00 C ATOM 102 C ILE A 7 9.223 -3.082 -0.551 1.00 0.00 C ATOM 103 O ILE A 7 9.115 -4.191 -0.026 1.00 0.00 O ATOM 104 CB ILE A 7 7.344 -2.073 0.757 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.221 -1.032 0.748 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.358 -1.756 1.846 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.376 -1.035 2.000 1.00 0.00 C ATOM 0 H ILE A 7 6.581 -3.401 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 7 8.391 -1.138 -0.880 1.00 0.00 H new ATOM 0 HB ILE A 7 6.907 -3.049 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.657 -0.042 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.578 -1.213 -0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.854 -1.717 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.124 -2.531 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.823 -0.792 1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.603 -0.271 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.909 -2.012 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.006 -0.823 2.864 1.00 0.00 H new ATOM 119 N LEU A 8 10.355 -2.640 -1.084 1.00 0.00 N ATOM 120 CA LEU A 8 11.600 -3.393 -0.973 1.00 0.00 C ATOM 121 C LEU A 8 12.258 -3.170 0.383 1.00 0.00 C ATOM 122 O LEU A 8 12.590 -2.041 0.744 1.00 0.00 O ATOM 123 CB LEU A 8 12.568 -2.986 -2.091 1.00 0.00 C ATOM 124 CG LEU A 8 13.919 -3.711 -2.096 1.00 0.00 C ATOM 125 CD1 LEU A 8 13.705 -5.184 -2.418 1.00 0.00 C ATOM 126 CD2 LEU A 8 14.842 -3.058 -3.115 1.00 0.00 C ATOM 0 H LEU A 8 10.438 -1.763 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 8 11.361 -4.452 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.080 -3.159 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.752 -1.914 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 8 14.384 -3.638 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.666 -5.699 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.057 -5.631 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.239 -5.278 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.803 -3.573 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.393 -3.121 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.993 -2.011 -2.851 1.00 0.00 H new ATOM 138 N MET A 9 12.443 -4.253 1.130 1.00 0.00 N ATOM 139 CA MET A 9 13.014 -4.172 2.469 1.00 0.00 C ATOM 140 C MET A 9 14.532 -4.296 2.429 1.00 0.00 C ATOM 141 O MET A 9 15.083 -5.024 1.605 1.00 0.00 O ATOM 142 CB MET A 9 12.415 -5.254 3.365 1.00 0.00 C ATOM 143 CG MET A 9 10.894 -5.267 3.406 1.00 0.00 C ATOM 144 SD MET A 9 10.198 -3.682 3.917 1.00 0.00 S ATOM 145 CE MET A 9 10.732 -3.613 5.624 1.00 0.00 C ATOM 0 H MET A 9 12.205 -5.199 0.830 1.00 0.00 H new ATOM 0 HA MET A 9 12.768 -3.194 2.883 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.765 -6.227 3.022 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.792 -5.119 4.379 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.510 -5.527 2.419 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.560 -6.044 4.093 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.304 -2.733 6.104 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.397 -4.509 6.146 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.820 -3.555 5.663 1.00 0.00 H new ATOM 155 N GLU A 10 15.203 -3.580 3.324 1.00 0.00 N ATOM 156 CA GLU A 10 16.661 -3.567 3.359 1.00 0.00 C ATOM 157 C GLU A 10 17.217 -4.954 3.657 1.00 0.00 C ATOM 158 O GLU A 10 18.335 -5.282 3.261 1.00 0.00 O ATOM 159 CB GLU A 10 17.160 -2.571 4.408 1.00 0.00 C ATOM 160 CG GLU A 10 18.670 -2.378 4.422 1.00 0.00 C ATOM 161 CD GLU A 10 19.110 -1.270 5.337 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.757 -1.303 6.492 1.00 0.00 O ATOM 163 OE2 GLU A 10 19.799 -0.388 4.880 1.00 0.00 O ATOM 0 H GLU A 10 14.760 -3.000 4.036 1.00 0.00 H new ATOM 0 HA GLU A 10 17.015 -3.259 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.684 -1.606 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.840 -2.909 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 10 19.147 -3.308 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.013 -2.164 3.410 1.00 0.00 H new ATOM 170 N ASN A 11 16.429 -5.764 4.356 1.00 0.00 N ATOM 171 CA ASN A 11 16.871 -7.088 4.775 1.00 0.00 C ATOM 172 C ASN A 11 16.497 -8.145 3.743 1.00 0.00 C ATOM 173 O ASN A 11 16.469 -9.338 4.044 1.00 0.00 O ATOM 174 CB ASN A 11 16.293 -7.441 6.133 1.00 0.00 C ATOM 175 CG ASN A 11 16.938 -6.670 7.251 1.00 0.00 C ATOM 176 OD1 ASN A 11 18.109 -6.892 7.580 1.00 0.00 O ATOM 177 ND2 ASN A 11 16.196 -5.771 7.845 1.00 0.00 N ATOM 0 H ASN A 11 15.480 -5.526 4.644 1.00 0.00 H new ATOM 0 HA ASN A 11 17.958 -7.067 4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.221 -7.243 6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.420 -8.509 6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.579 -5.220 8.613 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.234 -5.621 7.540 1.00 0.00 H new ATOM 184 N GLY A 12 16.211 -7.699 2.524 1.00 0.00 N ATOM 185 CA GLY A 12 16.099 -8.602 1.385 1.00 0.00 C ATOM 186 C GLY A 12 14.643 -8.946 1.094 1.00 0.00 C ATOM 187 O GLY A 12 14.339 -9.623 0.113 1.00 0.00 O ATOM 0 H GLY A 12 16.053 -6.717 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.549 -8.140 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.658 -9.516 1.586 1.00 0.00 H new ATOM 191 N GLY A 13 13.747 -8.474 1.955 1.00 0.00 N ATOM 192 CA GLY A 13 12.317 -8.688 1.766 1.00 0.00 C ATOM 193 C GLY A 13 11.777 -7.828 0.631 1.00 0.00 C ATOM 194 O GLY A 13 12.441 -6.895 0.177 1.00 0.00 O ATOM 0 H GLY A 13 13.986 -7.941 2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.129 -9.740 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.786 -8.453 2.688 1.00 0.00 H new ATOM 198 N LYS A 14 10.570 -8.146 0.176 1.00 0.00 N ATOM 199 CA LYS A 14 9.908 -7.359 -0.856 1.00 0.00 C ATOM 200 C LYS A 14 8.409 -7.630 -0.879 1.00 0.00 C ATOM 201 O LYS A 14 7.971 -8.712 -1.269 1.00 0.00 O ATOM 202 CB LYS A 14 10.517 -7.652 -2.228 1.00 0.00 C ATOM 203 CG LYS A 14 9.967 -6.792 -3.358 1.00 0.00 C ATOM 204 CD LYS A 14 10.751 -7.003 -4.645 1.00 0.00 C ATOM 205 CE LYS A 14 10.225 -6.117 -5.765 1.00 0.00 C ATOM 206 NZ LYS A 14 10.880 -6.419 -7.066 1.00 0.00 N ATOM 0 H LYS A 14 10.030 -8.945 0.507 1.00 0.00 H new ATOM 0 HA LYS A 14 10.060 -6.306 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.596 -7.509 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.347 -8.701 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.918 -7.035 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.009 -5.741 -3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.805 -6.786 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.687 -8.049 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.148 -6.254 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.392 -5.071 -5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.494 -5.794 -7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.905 -6.264 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.700 -7.410 -7.324 1.00 0.00 H new ATOM 220 N ILE A 15 7.627 -6.642 -0.460 1.00 0.00 N ATOM 221 CA ILE A 15 6.178 -6.784 -0.400 1.00 0.00 C ATOM 222 C ILE A 15 5.507 -6.099 -1.584 1.00 0.00 C ATOM 223 O ILE A 15 5.559 -4.877 -1.718 1.00 0.00 O ATOM 224 CB ILE A 15 5.622 -6.202 0.913 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.226 -6.928 2.117 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.104 -6.296 0.936 1.00 0.00 C ATOM 227 CD1 ILE A 15 5.904 -6.281 3.445 1.00 0.00 C ATOM 0 H ILE A 15 7.974 -5.732 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 15 5.956 -7.850 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 15 5.901 -5.150 0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.865 -7.956 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.309 -6.971 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.728 -5.880 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.692 -5.735 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.803 -7.341 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.367 -6.852 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.289 -5.261 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.824 -6.262 3.588 1.00 0.00 H new ATOM 239 N GLU A 16 4.877 -6.895 -2.442 1.00 0.00 N ATOM 240 CA GLU A 16 4.198 -6.368 -3.619 1.00 0.00 C ATOM 241 C GLU A 16 2.701 -6.232 -3.377 1.00 0.00 C ATOM 242 O GLU A 16 2.052 -7.163 -2.899 1.00 0.00 O ATOM 243 CB GLU A 16 4.449 -7.270 -4.829 1.00 0.00 C ATOM 244 CG GLU A 16 3.851 -6.756 -6.131 1.00 0.00 C ATOM 245 CD GLU A 16 4.166 -7.638 -7.307 1.00 0.00 C ATOM 246 OE1 GLU A 16 5.324 -7.862 -7.565 1.00 0.00 O ATOM 247 OE2 GLU A 16 3.247 -8.089 -7.949 1.00 0.00 O ATOM 0 H GLU A 16 4.823 -7.909 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 16 4.604 -5.377 -3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.524 -7.391 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.040 -8.259 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.769 -6.677 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.226 -5.751 -6.326 1.00 0.00 H new ATOM 254 N PHE A 17 2.156 -5.066 -3.708 1.00 0.00 N ATOM 255 CA PHE A 17 0.774 -4.743 -3.375 1.00 0.00 C ATOM 256 C PHE A 17 0.091 -3.997 -4.515 1.00 0.00 C ATOM 257 O PHE A 17 0.755 -3.416 -5.373 1.00 0.00 O ATOM 258 CB PHE A 17 0.714 -3.901 -2.100 1.00 0.00 C ATOM 259 CG PHE A 17 1.429 -2.585 -2.209 1.00 0.00 C ATOM 260 CD1 PHE A 17 0.777 -1.463 -2.700 1.00 0.00 C ATOM 261 CD2 PHE A 17 2.755 -2.465 -1.822 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.433 -0.251 -2.801 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.414 -1.255 -1.921 1.00 0.00 C ATOM 264 CZ PHE A 17 2.753 -0.147 -2.411 1.00 0.00 C ATOM 0 H PHE A 17 2.652 -4.328 -4.208 1.00 0.00 H new ATOM 0 HA PHE A 17 0.246 -5.682 -3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.330 -3.717 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.146 -4.472 -1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.256 -1.538 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.279 -3.328 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.913 0.614 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.447 -1.176 -1.615 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.267 0.799 -2.489 1.00 0.00 H new ATOM 274 N GLU A 18 -1.238 -4.016 -4.516 1.00 0.00 N ATOM 275 CA GLU A 18 -2.013 -3.217 -5.457 1.00 0.00 C ATOM 276 C GLU A 18 -2.651 -2.019 -4.764 1.00 0.00 C ATOM 277 O GLU A 18 -2.799 -2.001 -3.543 1.00 0.00 O ATOM 278 CB GLU A 18 -3.097 -4.073 -6.116 1.00 0.00 C ATOM 279 CG GLU A 18 -2.563 -5.205 -6.982 1.00 0.00 C ATOM 280 CD GLU A 18 -3.655 -6.005 -7.637 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.802 -5.707 -7.409 1.00 0.00 O ATOM 282 OE2 GLU A 18 -3.340 -6.917 -8.366 1.00 0.00 O ATOM 0 H GLU A 18 -1.800 -4.576 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.331 -2.849 -6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.732 -4.496 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.729 -3.430 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.911 -4.791 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.952 -5.867 -6.369 1.00 0.00 H new ATOM 289 N LEU A 19 -3.027 -1.017 -5.554 1.00 0.00 N ATOM 290 CA LEU A 19 -3.692 0.167 -5.024 1.00 0.00 C ATOM 291 C LEU A 19 -5.087 0.325 -5.617 1.00 0.00 C ATOM 292 O LEU A 19 -5.362 -0.150 -6.718 1.00 0.00 O ATOM 293 CB LEU A 19 -2.859 1.420 -5.320 1.00 0.00 C ATOM 294 CG LEU A 19 -1.494 1.491 -4.623 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.716 2.690 -5.150 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.696 1.588 -3.119 1.00 0.00 C ATOM 0 H LEU A 19 -2.882 -1.002 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.788 0.043 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.700 1.483 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.440 2.296 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.920 0.589 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.254 2.741 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.570 2.585 -6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.275 3.604 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.726 1.638 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.269 2.485 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.238 0.710 -2.767 1.00 0.00 H new ATOM 308 N PHE A 20 -5.965 0.996 -4.878 1.00 0.00 N ATOM 309 CA PHE A 20 -7.355 1.147 -5.290 1.00 0.00 C ATOM 310 C PHE A 20 -7.797 2.603 -5.217 1.00 0.00 C ATOM 311 O PHE A 20 -8.408 3.028 -4.237 1.00 0.00 O ATOM 312 CB PHE A 20 -8.269 0.288 -4.414 1.00 0.00 C ATOM 313 CG PHE A 20 -7.907 -1.171 -4.409 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.268 -1.993 -5.464 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.203 -1.721 -3.348 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.937 -3.335 -5.460 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.870 -3.063 -3.342 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.237 -3.870 -4.397 1.00 0.00 C ATOM 0 H PHE A 20 -5.738 1.444 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.431 0.814 -6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.236 0.665 -3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.297 0.397 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.814 -1.581 -6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.912 -1.094 -2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.226 -3.965 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.322 -3.479 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.978 -4.918 -4.392 1.00 0.00 H new ATOM 328 N PRO A 21 -7.482 3.364 -6.260 1.00 0.00 N ATOM 329 CA PRO A 21 -7.843 4.776 -6.314 1.00 0.00 C ATOM 330 C PRO A 21 -9.339 4.970 -6.105 1.00 0.00 C ATOM 331 O PRO A 21 -9.771 5.971 -5.535 1.00 0.00 O ATOM 332 CB PRO A 21 -7.412 5.187 -7.726 1.00 0.00 C ATOM 333 CG PRO A 21 -6.282 4.269 -8.045 1.00 0.00 C ATOM 334 CD PRO A 21 -6.686 2.952 -7.439 1.00 0.00 C ATOM 0 HA PRO A 21 -7.370 5.373 -5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.228 5.077 -8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.099 6.231 -7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.133 4.182 -9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.345 4.630 -7.621 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.273 2.350 -8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.820 2.355 -7.154 1.00 0.00 H new ATOM 342 N ASN A 22 -10.126 4.006 -6.571 1.00 0.00 N ATOM 343 CA ASN A 22 -11.577 4.070 -6.438 1.00 0.00 C ATOM 344 C ASN A 22 -12.004 3.911 -4.984 1.00 0.00 C ATOM 345 O ASN A 22 -13.010 4.479 -4.557 1.00 0.00 O ATOM 346 CB ASN A 22 -12.240 3.018 -7.307 1.00 0.00 C ATOM 347 CG ASN A 22 -12.174 3.353 -8.771 1.00 0.00 C ATOM 348 OD1 ASN A 22 -11.994 4.517 -9.147 1.00 0.00 O ATOM 349 ND2 ASN A 22 -12.316 2.355 -9.606 1.00 0.00 N ATOM 0 H ASN A 22 -9.783 3.170 -7.045 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.901 5.054 -6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.759 2.055 -7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.283 2.910 -7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.280 2.522 -10.612 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.463 1.410 -9.251 1.00 0.00 H new ATOM 356 N GLU A 23 -11.235 3.137 -4.228 1.00 0.00 N ATOM 357 CA GLU A 23 -11.536 2.896 -2.822 1.00 0.00 C ATOM 358 C GLU A 23 -11.118 4.079 -1.958 1.00 0.00 C ATOM 359 O GLU A 23 -11.826 4.459 -1.025 1.00 0.00 O ATOM 360 CB GLU A 23 -10.836 1.624 -2.336 1.00 0.00 C ATOM 361 CG GLU A 23 -11.156 1.241 -0.898 1.00 0.00 C ATOM 362 CD GLU A 23 -10.625 -0.114 -0.522 1.00 0.00 C ATOM 363 OE1 GLU A 23 -9.949 -0.711 -1.326 1.00 0.00 O ATOM 364 OE2 GLU A 23 -10.897 -0.554 0.570 1.00 0.00 O ATOM 0 H GLU A 23 -10.397 2.665 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.615 2.768 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.115 0.798 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.758 1.757 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.736 1.990 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.237 1.255 -0.755 1.00 0.00 H new ATOM 371 N ALA A 24 -9.965 4.657 -2.274 1.00 0.00 N ATOM 372 CA ALA A 24 -9.469 5.823 -1.552 1.00 0.00 C ATOM 373 C ALA A 24 -8.674 6.743 -2.471 1.00 0.00 C ATOM 374 O ALA A 24 -7.449 6.656 -2.542 1.00 0.00 O ATOM 375 CB ALA A 24 -8.615 5.389 -0.370 1.00 0.00 C ATOM 0 H ALA A 24 -9.355 4.337 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.329 6.380 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.252 6.270 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.214 4.780 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.767 4.806 -0.729 1.00 0.00 H new ATOM 381 N PRO A 25 -9.380 7.624 -3.171 1.00 0.00 N ATOM 382 CA PRO A 25 -8.762 8.464 -4.190 1.00 0.00 C ATOM 383 C PRO A 25 -7.582 9.242 -3.620 1.00 0.00 C ATOM 384 O PRO A 25 -6.453 9.107 -4.089 1.00 0.00 O ATOM 385 CB PRO A 25 -9.904 9.396 -4.608 1.00 0.00 C ATOM 386 CG PRO A 25 -11.132 8.569 -4.435 1.00 0.00 C ATOM 387 CD PRO A 25 -10.868 7.762 -3.192 1.00 0.00 C ATOM 0 HA PRO A 25 -8.350 7.898 -5.025 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.936 10.291 -3.987 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.790 9.728 -5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.019 9.193 -4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.302 7.925 -5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.236 8.268 -2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.360 6.790 -3.233 1.00 0.00 H new ATOM 395 N VAL A 26 -7.853 10.059 -2.607 1.00 0.00 N ATOM 396 CA VAL A 26 -6.865 11.003 -2.099 1.00 0.00 C ATOM 397 C VAL A 26 -5.731 10.281 -1.380 1.00 0.00 C ATOM 398 O VAL A 26 -4.562 10.628 -1.540 1.00 0.00 O ATOM 399 CB VAL A 26 -7.527 12.003 -1.133 1.00 0.00 C ATOM 400 CG1 VAL A 26 -6.478 12.894 -0.486 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.558 12.837 -1.878 1.00 0.00 C ATOM 0 H VAL A 26 -8.750 10.086 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.451 11.540 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.032 11.449 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.964 13.594 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.772 12.279 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.945 13.449 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.022 13.542 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.069 13.385 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.322 12.182 -2.296 1.00 0.00 H new ATOM 411 N THR A 27 -6.087 9.276 -0.587 1.00 0.00 N ATOM 412 CA THR A 27 -5.102 8.513 0.171 1.00 0.00 C ATOM 413 C THR A 27 -4.092 7.846 -0.754 1.00 0.00 C ATOM 414 O THR A 27 -2.884 7.927 -0.531 1.00 0.00 O ATOM 415 CB THR A 27 -5.783 7.447 1.049 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.700 8.081 1.951 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.746 6.672 1.848 1.00 0.00 C ATOM 0 H THR A 27 -7.051 8.971 -0.452 1.00 0.00 H new ATOM 0 HA THR A 27 -4.575 9.216 0.816 1.00 0.00 H new ATOM 0 HB THR A 27 -6.320 6.754 0.401 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.491 8.380 1.456 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.245 5.923 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.055 6.178 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.194 7.358 2.490 1.00 0.00 H new ATOM 425 N VAL A 28 -4.593 7.186 -1.792 1.00 0.00 N ATOM 426 CA VAL A 28 -3.734 6.554 -2.786 1.00 0.00 C ATOM 427 C VAL A 28 -2.831 7.577 -3.464 1.00 0.00 C ATOM 428 O VAL A 28 -1.630 7.355 -3.617 1.00 0.00 O ATOM 429 CB VAL A 28 -4.585 5.839 -3.851 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.720 5.418 -5.030 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.280 4.634 -3.235 1.00 0.00 C ATOM 0 H VAL A 28 -5.592 7.075 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.109 5.826 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.344 6.529 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.338 4.914 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.261 6.299 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.941 4.738 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.880 4.133 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.533 3.941 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.926 4.963 -2.421 1.00 0.00 H new ATOM 441 N ALA A 29 -3.418 8.698 -3.870 1.00 0.00 N ATOM 442 CA ALA A 29 -2.667 9.758 -4.531 1.00 0.00 C ATOM 443 C ALA A 29 -1.498 10.224 -3.673 1.00 0.00 C ATOM 444 O ALA A 29 -0.364 10.308 -4.144 1.00 0.00 O ATOM 445 CB ALA A 29 -3.582 10.930 -4.860 1.00 0.00 C ATOM 0 H ALA A 29 -4.412 8.896 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.263 9.354 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.007 11.713 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.380 10.594 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.015 11.323 -3.940 1.00 0.00 H new ATOM 451 N ASN A 30 -1.781 10.525 -2.410 1.00 0.00 N ATOM 452 CA ASN A 30 -0.764 11.033 -1.497 1.00 0.00 C ATOM 453 C ASN A 30 0.323 9.994 -1.251 1.00 0.00 C ATOM 454 O ASN A 30 1.513 10.310 -1.271 1.00 0.00 O ATOM 455 CB ASN A 30 -1.393 11.469 -0.186 1.00 0.00 C ATOM 456 CG ASN A 30 -2.197 12.731 -0.323 1.00 0.00 C ATOM 457 OD1 ASN A 30 -2.064 13.463 -1.310 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.031 13.000 0.649 1.00 0.00 N ATOM 0 H ASN A 30 -2.708 10.426 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.298 11.901 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.036 10.672 0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.609 11.621 0.556 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.604 13.843 0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.108 12.367 1.445 1.00 0.00 H new ATOM 465 N PHE A 31 -0.093 8.754 -1.018 1.00 0.00 N ATOM 466 CA PHE A 31 0.846 7.657 -0.815 1.00 0.00 C ATOM 467 C PHE A 31 1.805 7.527 -1.991 1.00 0.00 C ATOM 468 O PHE A 31 3.015 7.400 -1.807 1.00 0.00 O ATOM 469 CB PHE A 31 0.093 6.339 -0.616 1.00 0.00 C ATOM 470 CG PHE A 31 0.988 5.167 -0.329 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.394 4.887 0.967 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.427 4.343 -1.355 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.217 3.809 1.232 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.248 3.264 -1.093 1.00 0.00 C ATOM 475 CZ PHE A 31 2.644 2.997 0.202 1.00 0.00 C ATOM 0 H PHE A 31 -1.075 8.483 -0.965 1.00 0.00 H new ATOM 0 HA PHE A 31 1.426 7.879 0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.613 6.455 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.492 6.127 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.063 5.518 1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.123 4.548 -2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.526 3.602 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.580 2.629 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.287 2.154 0.408 1.00 0.00 H new ATOM 485 N GLU A 32 1.257 7.558 -3.201 1.00 0.00 N ATOM 486 CA GLU A 32 2.066 7.478 -4.411 1.00 0.00 C ATOM 487 C GLU A 32 3.045 8.642 -4.497 1.00 0.00 C ATOM 488 O GLU A 32 4.232 8.448 -4.762 1.00 0.00 O ATOM 489 CB GLU A 32 1.170 7.460 -5.651 1.00 0.00 C ATOM 490 CG GLU A 32 1.922 7.543 -6.972 1.00 0.00 C ATOM 491 CD GLU A 32 1.039 7.302 -8.165 1.00 0.00 C ATOM 492 OE1 GLU A 32 0.039 7.968 -8.285 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.366 6.451 -8.958 1.00 0.00 O ATOM 0 H GLU A 32 0.254 7.638 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 32 2.638 6.551 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.576 6.546 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.471 8.295 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.383 8.527 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.730 6.811 -6.971 1.00 0.00 H new ATOM 500 N LYS A 33 2.541 9.851 -4.273 1.00 0.00 N ATOM 501 CA LYS A 33 3.359 11.053 -4.378 1.00 0.00 C ATOM 502 C LYS A 33 4.546 10.997 -3.426 1.00 0.00 C ATOM 503 O LYS A 33 5.663 11.362 -3.789 1.00 0.00 O ATOM 504 CB LYS A 33 2.517 12.299 -4.099 1.00 0.00 C ATOM 505 CG LYS A 33 1.538 12.659 -5.208 1.00 0.00 C ATOM 506 CD LYS A 33 0.703 13.875 -4.836 1.00 0.00 C ATOM 507 CE LYS A 33 -0.292 14.222 -5.934 1.00 0.00 C ATOM 508 NZ LYS A 33 -1.106 15.419 -5.589 1.00 0.00 N ATOM 0 H LYS A 33 1.569 10.024 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 33 3.743 11.107 -5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.960 12.146 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.185 13.144 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.086 12.860 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.882 11.811 -5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.168 13.680 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.359 14.727 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.244 14.404 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.952 13.372 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.771 15.621 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.638 15.237 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.479 16.237 -5.449 1.00 0.00 H new ATOM 522 N LEU A 34 4.296 10.539 -2.204 1.00 0.00 N ATOM 523 CA LEU A 34 5.348 10.412 -1.202 1.00 0.00 C ATOM 524 C LEU A 34 6.367 9.353 -1.606 1.00 0.00 C ATOM 525 O LEU A 34 7.572 9.603 -1.599 1.00 0.00 O ATOM 526 CB LEU A 34 4.744 10.056 0.161 1.00 0.00 C ATOM 527 CG LEU A 34 3.932 11.167 0.839 1.00 0.00 C ATOM 528 CD1 LEU A 34 3.221 10.603 2.062 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.860 12.310 1.225 1.00 0.00 C ATOM 0 H LEU A 34 3.372 10.249 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 34 5.859 11.372 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.100 9.185 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.552 9.762 0.830 1.00 0.00 H new ATOM 0 HG LEU A 34 3.179 11.552 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.644 11.392 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.551 9.800 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.958 10.213 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.284 13.100 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.621 11.944 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.341 12.706 0.331 1.00 0.00 H new ATOM 541 N ALA A 35 5.875 8.169 -1.956 1.00 0.00 N ATOM 542 CA ALA A 35 6.744 7.049 -2.298 1.00 0.00 C ATOM 543 C ALA A 35 7.675 7.407 -3.449 1.00 0.00 C ATOM 544 O ALA A 35 8.871 7.120 -3.405 1.00 0.00 O ATOM 545 CB ALA A 35 5.913 5.824 -2.650 1.00 0.00 C ATOM 0 H ALA A 35 4.878 7.960 -2.010 1.00 0.00 H new ATOM 0 HA ALA A 35 7.358 6.820 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.575 4.996 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.295 5.546 -1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.273 6.051 -3.503 1.00 0.00 H new ATOM 551 N ASN A 36 7.119 8.033 -4.481 1.00 0.00 N ATOM 552 CA ASN A 36 7.871 8.327 -5.695 1.00 0.00 C ATOM 553 C ASN A 36 8.734 9.570 -5.522 1.00 0.00 C ATOM 554 O ASN A 36 9.491 9.941 -6.419 1.00 0.00 O ATOM 555 CB ASN A 36 6.934 8.487 -6.878 1.00 0.00 C ATOM 556 CG ASN A 36 6.340 7.180 -7.325 1.00 0.00 C ATOM 557 OD1 ASN A 36 6.857 6.105 -6.999 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.263 7.252 -8.066 1.00 0.00 N ATOM 0 H ASN A 36 6.149 8.347 -4.501 1.00 0.00 H new ATOM 0 HA ASN A 36 8.534 7.484 -5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.131 9.174 -6.611 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.477 8.938 -7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.815 6.398 -8.399 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.872 8.162 -8.310 1.00 0.00 H new ATOM 565 N GLU A 37 8.615 10.211 -4.364 1.00 0.00 N ATOM 566 CA GLU A 37 9.514 11.296 -3.993 1.00 0.00 C ATOM 567 C GLU A 37 10.600 10.811 -3.041 1.00 0.00 C ATOM 568 O GLU A 37 11.400 11.603 -2.541 1.00 0.00 O ATOM 569 CB GLU A 37 8.731 12.441 -3.347 1.00 0.00 C ATOM 570 CG GLU A 37 7.956 13.306 -4.330 1.00 0.00 C ATOM 571 CD GLU A 37 7.129 14.365 -3.654 1.00 0.00 C ATOM 572 OE1 GLU A 37 7.667 15.086 -2.848 1.00 0.00 O ATOM 573 OE2 GLU A 37 5.960 14.453 -3.944 1.00 0.00 O ATOM 0 H GLU A 37 7.903 9.997 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 37 9.992 11.658 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.033 12.024 -2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.426 13.074 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.656 13.782 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.304 12.671 -4.929 1.00 0.00 H new ATOM 580 N GLY A 38 10.624 9.506 -2.795 1.00 0.00 N ATOM 581 CA GLY A 38 11.658 8.902 -1.962 1.00 0.00 C ATOM 582 C GLY A 38 11.400 9.166 -0.485 1.00 0.00 C ATOM 583 O GLY A 38 12.307 9.069 0.341 1.00 0.00 O ATOM 0 H GLY A 38 9.939 8.845 -3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.691 7.827 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.633 9.302 -2.241 1.00 0.00 H new ATOM 587 N PHE A 39 10.157 9.502 -0.157 1.00 0.00 N ATOM 588 CA PHE A 39 9.772 9.762 1.225 1.00 0.00 C ATOM 589 C PHE A 39 9.772 8.480 2.048 1.00 0.00 C ATOM 590 O PHE A 39 10.445 8.390 3.074 1.00 0.00 O ATOM 591 CB PHE A 39 8.388 10.411 1.282 1.00 0.00 C ATOM 592 CG PHE A 39 7.887 10.650 2.677 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.313 11.753 3.404 1.00 0.00 C ATOM 594 CD2 PHE A 39 6.991 9.772 3.268 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.852 11.973 4.688 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.528 9.991 4.552 1.00 0.00 C ATOM 597 CZ PHE A 39 6.960 11.093 5.261 1.00 0.00 C ATOM 0 H PHE A 39 9.398 9.601 -0.831 1.00 0.00 H new ATOM 0 HA PHE A 39 10.507 10.445 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.421 11.362 0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.677 9.775 0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.012 12.447 2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.651 8.907 2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.191 12.835 5.243 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.829 9.300 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.599 11.266 6.264 1.00 0.00 H new ATOM 607 N TYR A 40 9.012 7.490 1.591 1.00 0.00 N ATOM 608 CA TYR A 40 8.893 6.224 2.303 1.00 0.00 C ATOM 609 C TYR A 40 10.203 5.446 2.264 1.00 0.00 C ATOM 610 O TYR A 40 10.472 4.621 3.136 1.00 0.00 O ATOM 611 CB TYR A 40 7.759 5.382 1.714 1.00 0.00 C ATOM 612 CG TYR A 40 6.382 5.806 2.177 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.998 5.591 3.492 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.505 6.407 1.287 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.740 5.977 3.915 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.248 6.793 1.709 1.00 0.00 C ATOM 617 CZ TYR A 40 3.868 6.575 3.030 1.00 0.00 C ATOM 618 OH TYR A 40 2.615 6.960 3.451 1.00 0.00 O ATOM 0 H TYR A 40 8.469 7.541 0.729 1.00 0.00 H new ATOM 0 HA TYR A 40 8.661 6.446 3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.801 5.442 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.917 4.337 1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.681 5.122 4.185 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.805 6.573 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.440 5.810 4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.563 7.262 1.018 1.00 0.00 H new ATOM 0 HH TYR A 40 2.543 6.836 4.420 1.00 0.00 H new ATOM 628 N ASN A 41 11.015 5.714 1.247 1.00 0.00 N ATOM 629 CA ASN A 41 12.366 5.172 1.181 1.00 0.00 C ATOM 630 C ASN A 41 13.203 5.632 2.368 1.00 0.00 C ATOM 631 O ASN A 41 13.561 6.805 2.469 1.00 0.00 O ATOM 632 CB ASN A 41 13.034 5.559 -0.125 1.00 0.00 C ATOM 633 CG ASN A 41 14.418 4.985 -0.258 1.00 0.00 C ATOM 634 OD1 ASN A 41 15.084 4.698 0.743 1.00 0.00 O ATOM 635 ND2 ASN A 41 14.863 4.812 -1.477 1.00 0.00 N ATOM 0 H ASN A 41 10.760 6.305 0.456 1.00 0.00 H new ATOM 0 HA ASN A 41 12.293 4.085 1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.421 5.216 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.087 6.646 -0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.795 4.426 -1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.278 5.063 -2.274 1.00 0.00 H new ATOM 642 N GLY A 42 13.511 4.701 3.265 1.00 0.00 N ATOM 643 CA GLY A 42 14.356 4.996 4.416 1.00 0.00 C ATOM 644 C GLY A 42 13.548 5.006 5.707 1.00 0.00 C ATOM 645 O GLY A 42 14.103 5.132 6.797 1.00 0.00 O ATOM 0 H GLY A 42 13.188 3.735 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.150 4.253 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.837 5.964 4.278 1.00 0.00 H new ATOM 649 N LEU A 43 12.232 4.872 5.576 1.00 0.00 N ATOM 650 CA LEU A 43 11.351 4.795 6.735 1.00 0.00 C ATOM 651 C LEU A 43 11.161 3.353 7.187 1.00 0.00 C ATOM 652 O LEU A 43 11.393 2.417 6.423 1.00 0.00 O ATOM 653 CB LEU A 43 9.988 5.418 6.406 1.00 0.00 C ATOM 654 CG LEU A 43 10.028 6.839 5.828 1.00 0.00 C ATOM 655 CD1 LEU A 43 8.617 7.411 5.787 1.00 0.00 C ATOM 656 CD2 LEU A 43 10.945 7.707 6.677 1.00 0.00 C ATOM 0 H LEU A 43 11.752 4.814 4.678 1.00 0.00 H new ATOM 0 HA LEU A 43 11.817 5.352 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.475 4.770 5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.387 5.432 7.315 1.00 0.00 H new ATOM 0 HG LEU A 43 10.420 6.817 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.645 8.420 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.987 6.781 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.207 7.441 6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.973 8.716 6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.569 7.742 7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.950 7.286 6.674 1.00 0.00 H new ATOM 668 N THR A 44 10.738 3.182 8.435 1.00 0.00 N ATOM 669 CA THR A 44 10.714 1.866 9.062 1.00 0.00 C ATOM 670 C THR A 44 9.301 1.478 9.478 1.00 0.00 C ATOM 671 O THR A 44 8.402 2.319 9.514 1.00 0.00 O ATOM 672 CB THR A 44 11.646 1.818 10.287 1.00 0.00 C ATOM 673 OG1 THR A 44 11.157 2.711 11.297 1.00 0.00 O ATOM 674 CG2 THR A 44 13.059 2.224 9.898 1.00 0.00 C ATOM 0 H THR A 44 10.407 3.939 9.033 1.00 0.00 H new ATOM 0 HA THR A 44 11.069 1.150 8.321 1.00 0.00 H new ATOM 0 HB THR A 44 11.665 0.798 10.671 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.972 3.587 10.898 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.704 2.184 10.776 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.438 1.540 9.138 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.050 3.239 9.500 1.00 0.00 H new ATOM 682 N PHE A 45 9.111 0.202 9.793 1.00 0.00 N ATOM 683 CA PHE A 45 7.889 -0.253 10.445 1.00 0.00 C ATOM 684 C PHE A 45 8.040 -0.251 11.960 1.00 0.00 C ATOM 685 O PHE A 45 8.621 -1.169 12.538 1.00 0.00 O ATOM 686 CB PHE A 45 7.519 -1.659 9.967 1.00 0.00 C ATOM 687 CG PHE A 45 7.036 -1.708 8.545 1.00 0.00 C ATOM 688 CD1 PHE A 45 5.692 -1.538 8.247 1.00 0.00 C ATOM 689 CD2 PHE A 45 7.924 -1.923 7.502 1.00 0.00 C ATOM 690 CE1 PHE A 45 5.245 -1.583 6.941 1.00 0.00 C ATOM 691 CE2 PHE A 45 7.481 -1.968 6.194 1.00 0.00 C ATOM 692 CZ PHE A 45 6.142 -1.799 5.913 1.00 0.00 C ATOM 0 H PHE A 45 9.789 -0.537 9.607 1.00 0.00 H new ATOM 0 HA PHE A 45 7.092 0.440 10.175 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.389 -2.308 10.068 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.744 -2.062 10.618 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.986 -1.368 9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.974 -2.057 7.715 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.196 -1.449 6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.184 -2.136 5.391 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.795 -1.835 4.891 1.00 0.00 H new ATOM 702 N HIS A 46 7.514 0.787 12.601 1.00 0.00 N ATOM 703 CA HIS A 46 7.801 1.048 14.006 1.00 0.00 C ATOM 704 C HIS A 46 6.954 0.166 14.915 1.00 0.00 C ATOM 705 O HIS A 46 7.239 0.030 16.105 1.00 0.00 O ATOM 706 CB HIS A 46 7.559 2.522 14.344 1.00 0.00 C ATOM 707 CG HIS A 46 6.148 2.968 14.113 1.00 0.00 C ATOM 708 ND1 HIS A 46 5.571 2.990 12.860 1.00 0.00 N ATOM 709 CD2 HIS A 46 5.200 3.409 14.972 1.00 0.00 C ATOM 710 CE1 HIS A 46 4.327 3.426 12.961 1.00 0.00 C ATOM 711 NE2 HIS A 46 4.078 3.687 14.231 1.00 0.00 N ATOM 0 H HIS A 46 6.885 1.463 12.168 1.00 0.00 H new ATOM 0 HA HIS A 46 8.852 0.812 14.175 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.819 2.694 15.389 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.229 3.138 13.744 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.306 3.521 16.041 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.632 3.548 12.143 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.195 4.038 14.602 1.00 0.00 H new ATOM 718 N ARG A 47 5.911 -0.431 14.347 1.00 0.00 N ATOM 719 CA ARG A 47 5.051 -1.342 15.092 1.00 0.00 C ATOM 720 C ARG A 47 4.708 -2.574 14.267 1.00 0.00 C ATOM 721 O ARG A 47 3.625 -2.664 13.687 1.00 0.00 O ATOM 722 CB ARG A 47 3.767 -0.642 15.511 1.00 0.00 C ATOM 723 CG ARG A 47 3.949 0.481 16.520 1.00 0.00 C ATOM 724 CD ARG A 47 4.384 -0.036 17.844 1.00 0.00 C ATOM 725 NE ARG A 47 4.425 1.015 18.848 1.00 0.00 N ATOM 726 CZ ARG A 47 5.482 1.821 19.068 1.00 0.00 C ATOM 727 NH1 ARG A 47 6.573 1.688 18.348 1.00 0.00 N ATOM 728 NH2 ARG A 47 5.420 2.748 20.009 1.00 0.00 N ATOM 0 H ARG A 47 5.641 -0.300 13.372 1.00 0.00 H new ATOM 0 HA ARG A 47 5.599 -1.657 15.980 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.285 -0.237 14.622 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.088 -1.383 15.933 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.687 1.191 16.146 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.011 1.025 16.632 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.703 -0.822 18.169 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.371 -0.488 17.751 1.00 0.00 H new ATOM 0 HE ARG A 47 3.596 1.152 19.426 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.621 0.974 17.621 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.372 2.299 18.516 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.573 2.852 20.567 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.219 3.359 20.177 1.00 0.00 H new ATOM 742 N VAL A 48 5.637 -3.524 14.217 1.00 0.00 N ATOM 743 CA VAL A 48 5.413 -4.778 13.507 1.00 0.00 C ATOM 744 C VAL A 48 4.702 -5.793 14.392 1.00 0.00 C ATOM 745 O VAL A 48 5.166 -6.109 15.488 1.00 0.00 O ATOM 746 CB VAL A 48 6.753 -5.368 13.029 1.00 0.00 C ATOM 747 CG1 VAL A 48 6.533 -6.714 12.356 1.00 0.00 C ATOM 748 CG2 VAL A 48 7.438 -4.395 12.081 1.00 0.00 C ATOM 0 H VAL A 48 6.553 -3.449 14.660 1.00 0.00 H new ATOM 0 HA VAL A 48 4.780 -4.562 12.646 1.00 0.00 H new ATOM 0 HB VAL A 48 7.399 -5.525 13.893 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.490 -7.116 12.025 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.075 -7.404 13.064 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.875 -6.588 11.496 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.385 -4.819 11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.796 -4.215 11.218 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.624 -3.453 12.598 1.00 0.00 H new ATOM 758 N ILE A 49 3.572 -6.301 13.911 1.00 0.00 N ATOM 759 CA ILE A 49 2.780 -7.262 14.669 1.00 0.00 C ATOM 760 C ILE A 49 2.416 -8.471 13.818 1.00 0.00 C ATOM 761 O ILE A 49 1.366 -8.496 13.176 1.00 0.00 O ATOM 762 CB ILE A 49 1.495 -6.609 15.211 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.823 -5.292 15.920 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.772 -7.559 16.153 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.606 -4.544 16.412 1.00 0.00 C ATOM 0 H ILE A 49 3.184 -6.063 12.998 1.00 0.00 H new ATOM 0 HA ILE A 49 3.392 -7.596 15.507 1.00 0.00 H new ATOM 0 HB ILE A 49 0.836 -6.392 14.371 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.477 -5.499 16.767 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.380 -4.651 15.236 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.134 -7.081 16.527 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.507 -8.471 15.618 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.424 -7.807 16.991 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.919 -3.622 16.903 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.040 -4.304 15.567 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.059 -5.165 17.121 1.00 0.00 H new ATOM 777 N PRO A 50 3.290 -9.471 13.815 1.00 0.00 N ATOM 778 CA PRO A 50 3.083 -10.667 13.007 1.00 0.00 C ATOM 779 C PRO A 50 1.823 -11.408 13.431 1.00 0.00 C ATOM 780 O PRO A 50 1.557 -11.569 14.623 1.00 0.00 O ATOM 781 CB PRO A 50 4.344 -11.493 13.284 1.00 0.00 C ATOM 782 CG PRO A 50 5.362 -10.482 13.688 1.00 0.00 C ATOM 783 CD PRO A 50 4.587 -9.472 14.494 1.00 0.00 C ATOM 0 HA PRO A 50 2.940 -10.452 11.948 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.175 -12.225 14.073 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.661 -12.045 12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.159 -10.934 14.278 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.831 -10.021 12.819 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.500 -9.765 15.540 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.057 -8.489 14.477 1.00 0.00 H new ATOM 791 N GLY A 51 1.047 -11.857 12.450 1.00 0.00 N ATOM 792 CA GLY A 51 -0.147 -12.650 12.718 1.00 0.00 C ATOM 793 C GLY A 51 -1.370 -11.760 12.897 1.00 0.00 C ATOM 794 O GLY A 51 -2.489 -12.251 13.051 1.00 0.00 O ATOM 0 H GLY A 51 1.224 -11.685 11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.317 -13.345 11.896 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.005 -13.249 13.616 1.00 0.00 H new ATOM 798 N PHE A 52 -1.152 -10.450 12.877 1.00 0.00 N ATOM 799 CA PHE A 52 -2.239 -9.489 13.016 1.00 0.00 C ATOM 800 C PHE A 52 -2.119 -8.369 11.990 1.00 0.00 C ATOM 801 O PHE A 52 -2.296 -8.591 10.792 1.00 0.00 O ATOM 802 CB PHE A 52 -2.250 -8.896 14.426 1.00 0.00 C ATOM 803 CG PHE A 52 -2.518 -9.905 15.506 1.00 0.00 C ATOM 804 CD1 PHE A 52 -3.818 -10.256 15.840 1.00 0.00 C ATOM 805 CD2 PHE A 52 -1.472 -10.507 16.188 1.00 0.00 C ATOM 806 CE1 PHE A 52 -4.066 -11.183 16.833 1.00 0.00 C ATOM 807 CE2 PHE A 52 -1.717 -11.436 17.182 1.00 0.00 C ATOM 808 CZ PHE A 52 -3.015 -11.774 17.505 1.00 0.00 C ATOM 0 H PHE A 52 -0.230 -10.029 12.766 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.175 -10.020 12.841 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.288 -8.420 14.617 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.008 -8.115 14.476 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.645 -9.799 15.317 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.454 -10.247 15.940 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.083 -11.446 17.084 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.893 -11.897 17.706 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.208 -12.499 18.282 1.00 0.00 H new ATOM 818 N VAL A 53 -1.818 -7.166 12.466 1.00 0.00 N ATOM 819 CA VAL A 53 -1.665 -6.011 11.590 1.00 0.00 C ATOM 820 C VAL A 53 -0.445 -5.185 11.977 1.00 0.00 C ATOM 821 O VAL A 53 -0.325 -4.730 13.114 1.00 0.00 O ATOM 822 CB VAL A 53 -2.922 -5.124 11.651 1.00 0.00 C ATOM 823 CG1 VAL A 53 -2.780 -3.934 10.714 1.00 0.00 C ATOM 824 CG2 VAL A 53 -4.153 -5.945 11.298 1.00 0.00 C ATOM 0 H VAL A 53 -1.675 -6.965 13.456 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.528 -6.381 10.574 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.037 -4.743 12.666 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.677 -3.318 10.770 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.914 -3.341 11.008 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.647 -4.289 9.692 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.038 -5.311 11.343 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.046 -6.347 10.291 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.258 -6.766 12.007 1.00 0.00 H new ATOM 834 N SER A 54 0.460 -4.994 11.022 1.00 0.00 N ATOM 835 CA SER A 54 1.666 -4.209 11.256 1.00 0.00 C ATOM 836 C SER A 54 1.475 -2.762 10.818 1.00 0.00 C ATOM 837 O SER A 54 0.650 -2.469 9.952 1.00 0.00 O ATOM 838 CB SER A 54 2.839 -4.820 10.516 1.00 0.00 C ATOM 839 OG SER A 54 3.155 -6.084 11.032 1.00 0.00 O ATOM 0 H SER A 54 0.380 -5.373 10.078 1.00 0.00 H new ATOM 0 HA SER A 54 1.870 -4.218 12.327 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.600 -4.905 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.706 -4.164 10.596 1.00 0.00 H new ATOM 0 HG SER A 54 2.645 -6.770 10.553 1.00 0.00 H new ATOM 845 N GLN A 55 2.243 -1.860 11.419 1.00 0.00 N ATOM 846 CA GLN A 55 2.144 -0.439 11.108 1.00 0.00 C ATOM 847 C GLN A 55 3.523 0.185 10.937 1.00 0.00 C ATOM 848 O GLN A 55 4.441 -0.096 11.706 1.00 0.00 O ATOM 849 CB GLN A 55 1.371 0.297 12.206 1.00 0.00 C ATOM 850 CG GLN A 55 1.140 1.771 11.922 1.00 0.00 C ATOM 851 CD GLN A 55 0.413 2.472 13.054 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.095 1.861 14.079 1.00 0.00 O ATOM 853 NE2 GLN A 55 0.143 3.760 12.876 1.00 0.00 N ATOM 0 H GLN A 55 2.942 -2.088 12.126 1.00 0.00 H new ATOM 0 HA GLN A 55 1.605 -0.342 10.166 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.406 -0.191 12.345 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.915 0.200 13.145 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.099 2.260 11.752 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.562 1.875 11.004 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.424 4.226 12.013 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.346 4.284 13.602 1.00 0.00 H new ATOM 862 N GLY A 56 3.661 1.032 9.923 1.00 0.00 N ATOM 863 CA GLY A 56 4.947 1.639 9.602 1.00 0.00 C ATOM 864 C GLY A 56 4.764 2.967 8.877 1.00 0.00 C ATOM 865 O GLY A 56 3.640 3.436 8.696 1.00 0.00 O ATOM 0 H GLY A 56 2.897 1.314 9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.516 1.797 10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.528 0.959 8.979 1.00 0.00 H new ATOM 869 N GLY A 57 5.874 3.569 8.465 1.00 0.00 N ATOM 870 CA GLY A 57 5.837 4.842 7.755 1.00 0.00 C ATOM 871 C GLY A 57 6.474 5.952 8.582 1.00 0.00 C ATOM 872 O GLY A 57 6.189 7.131 8.377 1.00 0.00 O ATOM 0 H GLY A 57 6.812 3.195 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.361 4.747 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.804 5.103 7.525 1.00 0.00 H new ATOM 876 N CYS A 58 7.337 5.567 9.515 1.00 0.00 N ATOM 877 CA CYS A 58 7.954 6.522 10.429 1.00 0.00 C ATOM 878 C CYS A 58 9.470 6.530 10.277 1.00 0.00 C ATOM 879 O CYS A 58 10.104 5.476 10.226 1.00 0.00 O ATOM 880 CB CYS A 58 7.594 6.188 11.877 1.00 0.00 C ATOM 881 SG CYS A 58 5.836 6.370 12.262 1.00 0.00 S ATOM 0 H CYS A 58 7.626 4.599 9.659 1.00 0.00 H new ATOM 0 HA CYS A 58 7.570 7.511 10.178 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.897 5.162 12.088 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.169 6.833 12.541 1.00 0.00 H new ATOM 0 HG CYS A 58 5.631 6.063 13.509 1.00 0.00 H new ATOM 887 N PRO A 59 10.045 7.725 10.203 1.00 0.00 N ATOM 888 CA PRO A 59 11.492 7.875 10.106 1.00 0.00 C ATOM 889 C PRO A 59 12.195 7.191 11.272 1.00 0.00 C ATOM 890 O PRO A 59 12.258 7.734 12.376 1.00 0.00 O ATOM 891 CB PRO A 59 11.685 9.395 10.143 1.00 0.00 C ATOM 892 CG PRO A 59 10.404 9.938 9.609 1.00 0.00 C ATOM 893 CD PRO A 59 9.347 9.025 10.169 1.00 0.00 C ATOM 0 HA PRO A 59 11.915 7.416 9.213 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.876 9.748 11.157 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.534 9.704 9.533 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.247 10.969 9.926 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.395 9.935 8.519 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.022 9.339 11.161 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.459 8.994 9.537 1.00 0.00 H new ATOM 901 N ARG A 60 12.722 5.998 11.020 1.00 0.00 N ATOM 902 CA ARG A 60 13.420 5.236 12.050 1.00 0.00 C ATOM 903 C ARG A 60 12.562 5.083 13.299 1.00 0.00 C ATOM 904 O ARG A 60 13.079 4.991 14.412 1.00 0.00 O ATOM 905 CB ARG A 60 14.732 5.912 12.419 1.00 0.00 C ATOM 906 CG ARG A 60 15.730 6.040 11.279 1.00 0.00 C ATOM 907 CD ARG A 60 16.950 6.775 11.696 1.00 0.00 C ATOM 908 NE ARG A 60 17.811 7.085 10.566 1.00 0.00 N ATOM 909 CZ ARG A 60 18.951 7.799 10.645 1.00 0.00 C ATOM 910 NH1 ARG A 60 19.354 8.268 11.805 1.00 0.00 N ATOM 911 NH2 ARG A 60 19.664 8.027 9.557 1.00 0.00 N ATOM 0 H ARG A 60 12.679 5.537 10.111 1.00 0.00 H new ATOM 0 HA ARG A 60 13.625 4.246 11.642 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.515 6.908 12.805 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.198 5.351 13.229 1.00 0.00 H new ATOM 0 HG2 ARG A 60 16.007 5.047 10.925 1.00 0.00 H new ATOM 0 HG3 ARG A 60 15.262 6.558 10.442 1.00 0.00 H new ATOM 0 HD2 ARG A 60 16.663 7.699 12.198 1.00 0.00 H new ATOM 0 HD3 ARG A 60 17.503 6.178 12.421 1.00 0.00 H new ATOM 0 HE ARG A 60 17.532 6.737 9.648 1.00 0.00 H new ATOM 0 HH11 ARG A 60 18.804 8.091 12.645 1.00 0.00 H new ATOM 0 HH12 ARG A 60 20.217 8.808 11.865 1.00 0.00 H new ATOM 0 HH21 ARG A 60 19.352 7.663 8.657 1.00 0.00 H new ATOM 0 HH22 ARG A 60 20.527 8.567 9.617 1.00 0.00 H new ATOM 925 N GLY A 61 11.247 5.058 13.108 1.00 0.00 N ATOM 926 CA GLY A 61 10.314 4.899 14.217 1.00 0.00 C ATOM 927 C GLY A 61 10.370 6.094 15.159 1.00 0.00 C ATOM 928 O GLY A 61 10.176 5.955 16.367 1.00 0.00 O ATOM 0 H GLY A 61 10.803 5.146 12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.301 4.785 13.830 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.550 3.988 14.767 1.00 0.00 H new ATOM 932 N ASN A 62 10.635 7.270 14.600 1.00 0.00 N ATOM 933 CA ASN A 62 10.643 8.504 15.377 1.00 0.00 C ATOM 934 C ASN A 62 9.247 9.107 15.467 1.00 0.00 C ATOM 935 O ASN A 62 8.998 10.002 16.275 1.00 0.00 O ATOM 936 CB ASN A 62 11.620 9.502 14.784 1.00 0.00 C ATOM 937 CG ASN A 62 13.054 9.109 15.005 1.00 0.00 C ATOM 938 OD1 ASN A 62 13.372 8.378 15.949 1.00 0.00 O ATOM 939 ND2 ASN A 62 13.927 9.580 14.150 1.00 0.00 N ATOM 0 H ASN A 62 10.847 7.395 13.610 1.00 0.00 H new ATOM 0 HA ASN A 62 10.968 8.261 16.389 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.434 9.595 13.714 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.444 10.483 15.225 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.915 9.346 14.249 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.619 10.181 13.385 1.00 0.00 H new ATOM 946 N GLY A 63 8.340 8.612 14.633 1.00 0.00 N ATOM 947 CA GLY A 63 6.945 9.035 14.678 1.00 0.00 C ATOM 948 C GLY A 63 6.724 10.293 13.848 1.00 0.00 C ATOM 949 O GLY A 63 5.955 10.288 12.888 1.00 0.00 O ATOM 0 H GLY A 63 8.546 7.916 13.916 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.307 8.234 14.305 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.652 9.222 15.711 1.00 0.00 H new ATOM 953 N THR A 64 7.404 11.371 14.226 1.00 0.00 N ATOM 954 CA THR A 64 7.226 12.659 13.565 1.00 0.00 C ATOM 955 C THR A 64 7.804 12.639 12.155 1.00 0.00 C ATOM 956 O THR A 64 8.943 13.052 11.935 1.00 0.00 O ATOM 957 CB THR A 64 7.880 13.793 14.376 1.00 0.00 C ATOM 958 OG1 THR A 64 7.377 13.775 15.718 1.00 0.00 O ATOM 959 CG2 THR A 64 7.580 15.143 13.744 1.00 0.00 C ATOM 0 H THR A 64 8.083 11.378 14.987 1.00 0.00 H new ATOM 0 HA THR A 64 6.154 12.844 13.502 1.00 0.00 H new ATOM 0 HB THR A 64 8.959 13.639 14.383 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.795 14.496 16.234 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.050 15.932 14.331 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.972 15.164 12.727 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.502 15.302 13.720 1.00 0.00 H new ATOM 967 N GLY A 65 7.012 12.156 11.205 1.00 0.00 N ATOM 968 CA GLY A 65 7.371 12.240 9.793 1.00 0.00 C ATOM 969 C GLY A 65 7.037 13.612 9.221 1.00 0.00 C ATOM 970 O GLY A 65 6.488 14.468 9.915 1.00 0.00 O ATOM 0 H GLY A 65 6.117 11.702 11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.436 12.043 9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.839 11.470 9.233 1.00 0.00 H new ATOM 974 N ASP A 66 7.371 13.814 7.951 1.00 0.00 N ATOM 975 CA ASP A 66 7.110 15.084 7.283 1.00 0.00 C ATOM 976 C ASP A 66 6.400 14.871 5.952 1.00 0.00 C ATOM 977 O ASP A 66 6.911 15.249 4.898 1.00 0.00 O ATOM 978 CB ASP A 66 8.417 15.848 7.055 1.00 0.00 C ATOM 979 CG ASP A 66 8.193 17.264 6.543 1.00 0.00 C ATOM 980 OD1 ASP A 66 7.088 17.741 6.636 1.00 0.00 O ATOM 981 OD2 ASP A 66 9.131 17.855 6.063 1.00 0.00 O ATOM 0 H ASP A 66 7.823 13.114 7.363 1.00 0.00 H new ATOM 0 HA ASP A 66 6.460 15.671 7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.976 15.889 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.032 15.301 6.340 1.00 0.00 H new ATOM 986 N ALA A 67 5.220 14.265 6.007 1.00 0.00 N ATOM 987 CA ALA A 67 4.445 13.986 4.804 1.00 0.00 C ATOM 988 C ALA A 67 4.058 15.274 4.088 1.00 0.00 C ATOM 989 O ALA A 67 4.190 15.383 2.869 1.00 0.00 O ATOM 990 CB ALA A 67 3.201 13.180 5.149 1.00 0.00 C ATOM 0 H ALA A 67 4.778 13.957 6.873 1.00 0.00 H new ATOM 0 HA ALA A 67 5.070 13.399 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.633 12.980 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.495 12.236 5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.583 13.746 5.846 1.00 0.00 H new ATOM 996 N GLY A 68 3.580 16.250 4.853 1.00 0.00 N ATOM 997 CA GLY A 68 3.109 17.508 4.285 1.00 0.00 C ATOM 998 C GLY A 68 1.652 17.405 3.853 1.00 0.00 C ATOM 999 O GLY A 68 1.118 18.314 3.216 1.00 0.00 O ATOM 0 H GLY A 68 3.509 16.194 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.218 18.305 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.727 17.778 3.429 1.00 0.00 H new ATOM 1003 N TYR A 69 1.014 16.294 4.201 1.00 0.00 N ATOM 1004 CA TYR A 69 -0.380 16.064 3.837 1.00 0.00 C ATOM 1005 C TYR A 69 -1.247 15.861 5.073 1.00 0.00 C ATOM 1006 O TYR A 69 -0.854 15.168 6.011 1.00 0.00 O ATOM 1007 CB TYR A 69 -0.497 14.858 2.902 1.00 0.00 C ATOM 1008 CG TYR A 69 0.223 15.034 1.584 1.00 0.00 C ATOM 1009 CD1 TYR A 69 -0.367 15.770 0.566 1.00 0.00 C ATOM 1010 CD2 TYR A 69 1.471 14.462 1.392 1.00 0.00 C ATOM 1011 CE1 TYR A 69 0.289 15.931 -0.639 1.00 0.00 C ATOM 1012 CE2 TYR A 69 2.127 14.623 0.187 1.00 0.00 C ATOM 1013 CZ TYR A 69 1.532 15.361 -0.829 1.00 0.00 C ATOM 1014 OH TYR A 69 2.186 15.522 -2.030 1.00 0.00 O ATOM 0 H TYR A 69 1.440 15.537 4.736 1.00 0.00 H new ATOM 0 HA TYR A 69 -0.740 16.950 3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.099 13.978 3.408 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.551 14.663 2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.339 16.217 0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.931 13.890 2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.170 16.502 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.099 14.177 0.035 1.00 0.00 H new ATOM 0 HH TYR A 69 3.049 15.059 -1.997 1.00 0.00 H new ATOM 1024 N THR A 70 -2.427 16.470 5.067 1.00 0.00 N ATOM 1025 CA THR A 70 -3.394 16.275 6.141 1.00 0.00 C ATOM 1026 C THR A 70 -4.814 16.189 5.595 1.00 0.00 C ATOM 1027 O THR A 70 -5.385 17.190 5.160 1.00 0.00 O ATOM 1028 CB THR A 70 -3.307 17.410 7.178 1.00 0.00 C ATOM 1029 OG1 THR A 70 -1.977 17.475 7.709 1.00 0.00 O ATOM 1030 CG2 THR A 70 -4.292 17.174 8.312 1.00 0.00 C ATOM 0 H THR A 70 -2.737 17.103 4.330 1.00 0.00 H new ATOM 0 HA THR A 70 -3.148 15.332 6.629 1.00 0.00 H new ATOM 0 HB THR A 70 -3.555 18.351 6.686 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.923 18.199 8.368 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.216 17.986 9.035 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.305 17.138 7.912 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.062 16.229 8.803 1.00 0.00 H new ATOM 1038 N ILE A 71 -5.381 14.988 5.620 1.00 0.00 N ATOM 1039 CA ILE A 71 -6.651 14.725 4.954 1.00 0.00 C ATOM 1040 C ILE A 71 -7.629 14.027 5.889 1.00 0.00 C ATOM 1041 O ILE A 71 -7.229 13.424 6.884 1.00 0.00 O ATOM 1042 CB ILE A 71 -6.442 13.865 3.694 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -5.834 12.511 4.066 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -5.557 14.594 2.693 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -5.799 11.522 2.924 1.00 0.00 C ATOM 0 H ILE A 71 -4.980 14.180 6.095 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.071 15.688 4.663 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.412 13.689 3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.818 12.667 4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.405 12.081 4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.419 13.972 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.029 15.533 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.587 14.799 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.355 10.587 3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.814 11.335 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.203 11.930 2.108 1.00 0.00 H new ATOM 1057 N PRO A 72 -8.915 14.113 5.564 1.00 0.00 N ATOM 1058 CA PRO A 72 -9.947 13.431 6.334 1.00 0.00 C ATOM 1059 C PRO A 72 -10.022 11.954 5.968 1.00 0.00 C ATOM 1060 O PRO A 72 -9.609 11.552 4.880 1.00 0.00 O ATOM 1061 CB PRO A 72 -11.224 14.177 5.935 1.00 0.00 C ATOM 1062 CG PRO A 72 -10.998 14.555 4.511 1.00 0.00 C ATOM 1063 CD PRO A 72 -9.535 14.902 4.443 1.00 0.00 C ATOM 0 HA PRO A 72 -9.765 13.446 7.409 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.105 13.545 6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.383 15.056 6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.243 13.733 3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.621 15.401 4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.106 14.629 3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.373 15.972 4.572 1.00 0.00 H new ATOM 1071 N CYS A 73 -10.553 11.149 6.882 1.00 0.00 N ATOM 1072 CA CYS A 73 -10.775 9.732 6.619 1.00 0.00 C ATOM 1073 C CYS A 73 -11.755 9.532 5.471 1.00 0.00 C ATOM 1074 O CYS A 73 -12.948 9.806 5.605 1.00 0.00 O ATOM 1075 CB CYS A 73 -11.309 9.031 7.868 1.00 0.00 C ATOM 1076 SG CYS A 73 -11.589 7.256 7.656 1.00 0.00 S ATOM 0 H CYS A 73 -10.838 11.454 7.813 1.00 0.00 H new ATOM 0 HA CYS A 73 -9.815 9.296 6.341 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -10.604 9.182 8.686 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -12.246 9.503 8.164 1.00 0.00 H new ATOM 0 HG CYS A 73 -10.991 6.848 6.576 1.00 0.00 H new ATOM 1082 N GLU A 74 -11.246 9.052 4.341 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.087 8.752 3.189 1.00 0.00 C ATOM 1084 C GLU A 74 -12.969 7.538 3.452 1.00 0.00 C ATOM 1085 O GLU A 74 -12.529 6.558 4.053 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.224 8.508 1.948 1.00 0.00 C ATOM 1087 CG GLU A 74 -10.488 9.741 1.442 1.00 0.00 C ATOM 1088 CD GLU A 74 -9.747 9.495 0.158 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -8.813 8.729 0.170 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -10.117 10.072 -0.838 1.00 0.00 O ATOM 0 H GLU A 74 -10.254 8.862 4.199 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.732 9.613 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.494 7.731 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.858 8.125 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.204 10.549 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.784 10.075 2.204 1.00 0.00 H new ATOM 1097 N THR A 75 -14.215 7.610 2.997 1.00 0.00 N ATOM 1098 CA THR A 75 -15.150 6.501 3.146 1.00 0.00 C ATOM 1099 C THR A 75 -15.673 6.035 1.793 1.00 0.00 C ATOM 1100 O THR A 75 -16.278 4.970 1.684 1.00 0.00 O ATOM 1101 CB THR A 75 -16.333 6.891 4.051 1.00 0.00 C ATOM 1102 OG1 THR A 75 -17.053 7.980 3.459 1.00 0.00 O ATOM 1103 CG2 THR A 75 -15.837 7.305 5.428 1.00 0.00 C ATOM 0 H THR A 75 -14.601 8.426 2.521 1.00 0.00 H new ATOM 0 HA THR A 75 -14.605 5.680 3.612 1.00 0.00 H new ATOM 0 HB THR A 75 -16.990 6.028 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.807 8.226 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.687 7.577 6.054 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.300 6.474 5.886 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.168 8.160 5.332 1.00 0.00 H new ATOM 1111 N ASP A 76 -15.435 6.841 0.763 1.00 0.00 N ATOM 1112 CA ASP A 76 -15.898 6.522 -0.582 1.00 0.00 C ATOM 1113 C ASP A 76 -14.733 6.167 -1.498 1.00 0.00 C ATOM 1114 O ASP A 76 -13.620 6.660 -1.320 1.00 0.00 O ATOM 1115 CB ASP A 76 -16.679 7.699 -1.172 1.00 0.00 C ATOM 1116 CG ASP A 76 -17.988 7.968 -0.443 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -18.731 7.038 -0.235 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -18.233 9.100 -0.101 1.00 0.00 O ATOM 0 H ASP A 76 -14.924 7.721 0.835 1.00 0.00 H new ATOM 0 HA ASP A 76 -16.555 5.655 -0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.059 8.594 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -16.889 7.499 -2.223 1.00 0.00 H new ATOM 1123 N ASN A 77 -14.998 5.310 -2.476 1.00 0.00 N ATOM 1124 CA ASN A 77 -16.354 4.841 -2.741 1.00 0.00 C ATOM 1125 C ASN A 77 -16.590 3.465 -2.132 1.00 0.00 C ATOM 1126 O ASN A 77 -17.728 3.081 -1.863 1.00 0.00 O ATOM 1127 CB ASN A 77 -16.631 4.821 -4.232 1.00 0.00 C ATOM 1128 CG ASN A 77 -16.689 6.200 -4.828 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -17.637 6.955 -4.587 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -15.691 6.542 -5.604 1.00 0.00 N ATOM 0 H ASN A 77 -14.290 4.924 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 77 -17.047 5.538 -2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -15.854 4.245 -4.734 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.576 4.310 -4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -15.675 7.465 -6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.929 5.885 -5.775 1.00 0.00 H new ATOM 1137 N ASN A 78 -15.506 2.726 -1.917 1.00 0.00 N ATOM 1138 CA ASN A 78 -15.601 1.329 -1.509 1.00 0.00 C ATOM 1139 C ASN A 78 -15.389 1.179 -0.009 1.00 0.00 C ATOM 1140 O ASN A 78 -14.670 1.964 0.609 1.00 0.00 O ATOM 1141 CB ASN A 78 -14.606 0.480 -2.278 1.00 0.00 C ATOM 1142 CG ASN A 78 -14.957 0.354 -3.734 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -16.132 0.425 -4.110 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -13.959 0.167 -4.561 1.00 0.00 N ATOM 0 H ASN A 78 -14.552 3.072 -2.019 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.607 0.979 -1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.612 0.917 -2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.560 -0.513 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.136 0.073 -5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.005 0.115 -4.205 1.00 0.00 H new ATOM 1151 N PRO A 79 -16.019 0.164 0.574 1.00 0.00 N ATOM 1152 CA PRO A 79 -15.858 -0.124 1.994 1.00 0.00 C ATOM 1153 C PRO A 79 -14.390 -0.303 2.358 1.00 0.00 C ATOM 1154 O PRO A 79 -13.567 -0.641 1.507 1.00 0.00 O ATOM 1155 CB PRO A 79 -16.647 -1.425 2.174 1.00 0.00 C ATOM 1156 CG PRO A 79 -17.672 -1.384 1.092 1.00 0.00 C ATOM 1157 CD PRO A 79 -16.954 -0.766 -0.079 1.00 0.00 C ATOM 0 HA PRO A 79 -16.212 0.680 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.002 -2.298 2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.110 -1.477 3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -18.037 -2.383 0.852 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.537 -0.790 1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.432 -1.514 -0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -17.641 -0.248 -0.748 1.00 0.00 H new ATOM 1165 N HIS A 80 -14.067 -0.072 3.626 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.686 -0.136 4.089 1.00 0.00 C ATOM 1167 C HIS A 80 -12.514 -1.202 5.163 1.00 0.00 C ATOM 1168 O HIS A 80 -12.251 -0.890 6.325 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.234 1.223 4.632 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.305 2.328 3.625 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.345 2.510 2.651 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -13.221 3.308 3.440 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -11.668 3.555 1.910 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -12.801 4.057 2.368 1.00 0.00 N ATOM 0 H HIS A 80 -14.744 0.162 4.352 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.065 -0.402 3.234 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.853 1.485 5.490 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.209 1.137 4.992 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.114 3.470 4.025 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.102 3.934 1.072 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -13.286 4.870 1.987 1.00 0.00 H new ATOM 1181 N ARG A 81 -12.663 -2.462 4.769 1.00 0.00 N ATOM 1182 CA ARG A 81 -12.421 -3.581 5.672 1.00 0.00 C ATOM 1183 C ARG A 81 -10.955 -3.994 5.655 1.00 0.00 C ATOM 1184 O ARG A 81 -10.282 -3.891 4.630 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.285 -4.774 5.290 1.00 0.00 C ATOM 1186 CG ARG A 81 -14.781 -4.559 5.457 1.00 0.00 C ATOM 1187 CD ARG A 81 -15.546 -5.808 5.208 1.00 0.00 C ATOM 1188 NE ARG A 81 -15.327 -6.795 6.252 1.00 0.00 N ATOM 1189 CZ ARG A 81 -15.730 -8.080 6.188 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -16.372 -8.515 5.126 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -15.483 -8.902 7.192 1.00 0.00 N ATOM 0 H ARG A 81 -12.951 -2.734 3.829 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.682 -3.253 6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.083 -5.032 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.986 -5.630 5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.987 -4.201 6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.116 -3.783 4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.609 -5.576 5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.254 -6.227 4.245 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.834 -6.494 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.565 -7.880 4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.677 -9.487 5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.987 -8.565 8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.788 -9.874 7.142 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.465 -4.464 6.798 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.067 -4.858 6.928 1.00 0.00 C ATOM 1207 C HIS A 82 -8.906 -6.366 6.791 1.00 0.00 C ATOM 1208 O HIS A 82 -8.708 -7.071 7.780 1.00 0.00 O ATOM 1209 CB HIS A 82 -8.497 -4.398 8.274 1.00 0.00 C ATOM 1210 CG HIS A 82 -8.270 -2.920 8.357 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -9.290 -2.002 8.220 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -7.142 -2.202 8.563 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -8.798 -0.781 8.338 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -7.497 -0.875 8.546 1.00 0.00 N ATOM 0 H HIS A 82 -11.016 -4.581 7.648 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.513 -4.375 6.123 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.180 -4.697 9.069 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.553 -4.913 8.454 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.270 -2.230 8.054 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.148 -2.598 8.713 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.363 0.137 8.275 1.00 0.00 H new ATOM 1221 N VAL A 83 -8.991 -6.856 5.559 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.869 -8.285 5.291 1.00 0.00 C ATOM 1223 C VAL A 83 -7.422 -8.670 5.013 1.00 0.00 C ATOM 1224 O VAL A 83 -6.517 -7.841 5.114 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.744 -8.680 4.088 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.207 -8.368 4.367 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.267 -7.953 2.840 1.00 0.00 C ATOM 0 H VAL A 83 -9.144 -6.284 4.729 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.208 -8.819 6.178 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.653 -9.754 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.811 -8.654 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.537 -8.926 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.322 -7.300 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.891 -8.237 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.337 -6.877 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.231 -8.223 2.635 1.00 0.00 H new ATOM 1237 N THR A 84 -7.209 -9.934 4.660 1.00 0.00 N ATOM 1238 CA THR A 84 -5.865 -10.452 4.440 1.00 0.00 C ATOM 1239 C THR A 84 -5.092 -9.580 3.458 1.00 0.00 C ATOM 1240 O THR A 84 -5.414 -9.531 2.272 1.00 0.00 O ATOM 1241 CB THR A 84 -5.907 -11.902 3.922 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.631 -12.721 4.849 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.498 -12.451 3.760 1.00 0.00 C ATOM 0 H THR A 84 -7.952 -10.619 4.520 1.00 0.00 H new ATOM 0 HA THR A 84 -5.352 -10.436 5.402 1.00 0.00 H new ATOM 0 HB THR A 84 -6.404 -11.912 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.659 -13.643 4.518 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.547 -13.476 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.948 -11.837 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.988 -12.434 4.723 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.072 -8.893 3.961 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.129 -8.185 3.103 1.00 0.00 C ATOM 1253 C GLY A 85 -3.486 -6.709 2.991 1.00 0.00 C ATOM 1254 O GLY A 85 -2.707 -5.910 2.475 1.00 0.00 O ATOM 0 H GLY A 85 -3.877 -8.811 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.121 -8.288 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.126 -8.637 2.111 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.671 -6.354 3.479 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.200 -5.007 3.302 1.00 0.00 C ATOM 1260 C ALA A 86 -4.216 -3.958 3.807 1.00 0.00 C ATOM 1261 O ALA A 86 -3.511 -4.179 4.792 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.537 -4.865 4.012 1.00 0.00 C ATOM 0 H ALA A 86 -5.283 -6.982 4.000 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.350 -4.842 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.919 -3.854 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.246 -5.582 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.406 -5.057 5.077 1.00 0.00 H new ATOM 1268 N MET A 87 -4.176 -2.818 3.128 1.00 0.00 N ATOM 1269 CA MET A 87 -3.318 -1.712 3.539 1.00 0.00 C ATOM 1270 C MET A 87 -4.116 -0.424 3.694 1.00 0.00 C ATOM 1271 O MET A 87 -4.762 0.035 2.751 1.00 0.00 O ATOM 1272 CB MET A 87 -2.186 -1.520 2.533 1.00 0.00 C ATOM 1273 CG MET A 87 -1.215 -2.688 2.446 1.00 0.00 C ATOM 1274 SD MET A 87 0.057 -2.445 1.189 1.00 0.00 S ATOM 1275 CE MET A 87 0.920 -1.023 1.854 1.00 0.00 C ATOM 0 H MET A 87 -4.728 -2.635 2.290 1.00 0.00 H new ATOM 0 HA MET A 87 -2.889 -1.959 4.510 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.618 -1.349 1.547 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.630 -0.621 2.798 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.739 -2.832 3.416 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.769 -3.600 2.224 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.944 -1.012 1.481 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.411 -0.111 1.544 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.931 -1.080 2.942 1.00 0.00 H new ATOM 1285 N SER A 88 -4.069 0.156 4.888 1.00 0.00 N ATOM 1286 CA SER A 88 -4.844 1.354 5.190 1.00 0.00 C ATOM 1287 C SER A 88 -3.955 2.460 5.743 1.00 0.00 C ATOM 1288 O SER A 88 -2.809 2.218 6.122 1.00 0.00 O ATOM 1289 CB SER A 88 -5.940 1.030 6.185 1.00 0.00 C ATOM 1290 OG SER A 88 -5.402 0.695 7.434 1.00 0.00 O ATOM 0 H SER A 88 -3.501 -0.185 5.664 1.00 0.00 H new ATOM 0 HA SER A 88 -5.292 1.707 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.606 1.887 6.290 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.542 0.202 5.811 1.00 0.00 H new ATOM 0 HG SER A 88 -5.983 0.041 7.876 1.00 0.00 H new ATOM 1296 N MET A 89 -4.489 3.676 5.786 1.00 0.00 N ATOM 1297 CA MET A 89 -3.794 4.797 6.407 1.00 0.00 C ATOM 1298 C MET A 89 -4.473 5.216 7.704 1.00 0.00 C ATOM 1299 O MET A 89 -5.697 5.334 7.766 1.00 0.00 O ATOM 1300 CB MET A 89 -3.723 5.975 5.439 1.00 0.00 C ATOM 1301 CG MET A 89 -2.955 7.179 5.966 1.00 0.00 C ATOM 1302 SD MET A 89 -2.833 8.512 4.757 1.00 0.00 S ATOM 1303 CE MET A 89 -1.592 7.851 3.649 1.00 0.00 C ATOM 0 H MET A 89 -5.402 3.910 5.397 1.00 0.00 H new ATOM 0 HA MET A 89 -2.781 4.476 6.648 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.257 5.640 4.512 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.738 6.287 5.191 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.446 7.553 6.864 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.952 6.866 6.258 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.303 8.616 2.929 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.718 7.544 4.223 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.999 6.990 3.119 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.671 5.438 8.741 1.00 0.00 N ATOM 1314 CA ALA A 90 -4.198 5.777 10.058 1.00 0.00 C ATOM 1315 C ALA A 90 -5.034 7.049 10.006 1.00 0.00 C ATOM 1316 O ALA A 90 -4.583 8.080 9.505 1.00 0.00 O ATOM 1317 CB ALA A 90 -3.062 5.930 11.059 1.00 0.00 C ATOM 0 H ALA A 90 -2.653 5.389 8.694 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.846 4.962 10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.471 6.183 12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.509 4.993 11.128 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.391 6.724 10.730 1.00 0.00 H new ATOM 1323 N HIS A 91 -6.254 6.972 10.526 1.00 0.00 N ATOM 1324 CA HIS A 91 -7.104 8.147 10.666 1.00 0.00 C ATOM 1325 C HIS A 91 -7.774 8.183 12.033 1.00 0.00 C ATOM 1326 O HIS A 91 -7.960 7.147 12.671 1.00 0.00 O ATOM 1327 CB HIS A 91 -8.170 8.180 9.567 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.616 8.417 8.197 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -7.447 7.581 7.146 1.00 0.00 N flip ATOM 1330 CD2 HIS A 91 -7.158 9.651 7.784 1.00 0.00 C flip ATOM 1331 CE1 HIS A 91 -6.893 8.318 6.127 1.00 0.00 C flip ATOM 1332 NE2 HIS A 91 -6.729 9.562 6.536 1.00 0.00 N flip ATOM 0 H HIS A 91 -6.677 6.105 10.858 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.466 9.026 10.569 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.713 7.235 9.571 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.892 8.963 9.797 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.151 10.548 8.385 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.634 7.940 5.149 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -6.338 10.325 5.984 1.00 0.00 H new ATOM 1339 N ARG A 92 -8.135 9.382 12.479 1.00 0.00 N ATOM 1340 CA ARG A 92 -8.869 9.545 13.728 1.00 0.00 C ATOM 1341 C ARG A 92 -10.094 10.430 13.534 1.00 0.00 C ATOM 1342 O ARG A 92 -10.739 10.834 14.502 1.00 0.00 O ATOM 1343 CB ARG A 92 -7.975 10.151 14.799 1.00 0.00 C ATOM 1344 CG ARG A 92 -6.818 9.267 15.240 1.00 0.00 C ATOM 1345 CD ARG A 92 -7.253 8.242 16.222 1.00 0.00 C ATOM 1346 NE ARG A 92 -7.734 7.036 15.569 1.00 0.00 N ATOM 1347 CZ ARG A 92 -8.038 5.889 16.209 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -7.904 5.809 17.514 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -8.468 4.844 15.523 1.00 0.00 N ATOM 0 H ARG A 92 -7.931 10.255 11.993 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.197 8.556 14.047 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.572 11.093 14.426 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.585 10.388 15.670 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.383 8.776 14.370 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.036 9.885 15.681 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.420 7.992 16.879 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.042 8.654 16.851 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.850 7.059 14.556 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.570 6.615 18.043 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.134 4.941 17.998 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.570 4.906 14.510 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.698 3.976 16.007 1.00 0.00 H new ATOM 1363 N GLY A 93 -10.410 10.728 12.279 1.00 0.00 N ATOM 1364 CA GLY A 93 -11.529 11.607 11.959 1.00 0.00 C ATOM 1365 C GLY A 93 -11.233 12.446 10.722 1.00 0.00 C ATOM 1366 O GLY A 93 -10.791 11.926 9.697 1.00 0.00 O ATOM 0 H GLY A 93 -9.907 10.374 11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.427 11.012 11.792 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.734 12.262 12.806 1.00 0.00 H new ATOM 1370 N ARG A 94 -11.479 13.748 10.824 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.209 14.668 9.726 1.00 0.00 C ATOM 1372 C ARG A 94 -9.887 15.396 9.930 1.00 0.00 C ATOM 1373 O ARG A 94 -9.568 15.826 11.039 1.00 0.00 O ATOM 1374 CB ARG A 94 -12.330 15.687 9.592 1.00 0.00 C ATOM 1375 CG ARG A 94 -13.674 15.108 9.178 1.00 0.00 C ATOM 1376 CD ARG A 94 -14.711 16.164 9.052 1.00 0.00 C ATOM 1377 NE ARG A 94 -16.024 15.602 8.776 1.00 0.00 N ATOM 1378 CZ ARG A 94 -17.146 16.329 8.608 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -17.099 17.641 8.690 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -18.295 15.725 8.360 1.00 0.00 N ATOM 0 H ARG A 94 -11.866 14.190 11.658 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.147 14.077 8.812 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.450 16.201 10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.033 16.438 8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.568 14.586 8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.994 14.369 9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.751 16.746 9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.435 16.851 8.252 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.101 14.587 8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.213 18.109 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.949 18.191 8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.333 14.708 8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.144 16.276 8.233 1.00 0.00 H new ATOM 1394 N ASP A 95 -9.120 15.533 8.853 1.00 0.00 N ATOM 1395 CA ASP A 95 -7.807 16.164 8.922 1.00 0.00 C ATOM 1396 C ASP A 95 -6.897 15.437 9.905 1.00 0.00 C ATOM 1397 O ASP A 95 -6.355 16.044 10.828 1.00 0.00 O ATOM 1398 CB ASP A 95 -7.939 17.633 9.331 1.00 0.00 C ATOM 1399 CG ASP A 95 -8.691 18.469 8.303 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -8.324 18.432 7.153 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -9.625 19.136 8.678 1.00 0.00 O ATOM 0 H ASP A 95 -9.386 15.215 7.921 1.00 0.00 H new ATOM 0 HA ASP A 95 -7.360 16.107 7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.456 17.693 10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.945 18.055 9.478 1.00 0.00 H new ATOM 1406 N THR A 96 -6.733 14.134 9.700 1.00 0.00 N ATOM 1407 CA THR A 96 -5.934 13.312 10.598 1.00 0.00 C ATOM 1408 C THR A 96 -4.961 12.434 9.822 1.00 0.00 C ATOM 1409 O THR A 96 -4.076 11.806 10.406 1.00 0.00 O ATOM 1410 CB THR A 96 -6.830 12.430 11.488 1.00 0.00 C ATOM 1411 OG1 THR A 96 -7.647 11.590 10.663 1.00 0.00 O ATOM 1412 CG2 THR A 96 -7.723 13.293 12.367 1.00 0.00 C ATOM 0 H THR A 96 -7.144 13.625 8.918 1.00 0.00 H new ATOM 0 HA THR A 96 -5.364 13.990 11.234 1.00 0.00 H new ATOM 0 HB THR A 96 -6.193 11.817 12.125 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.540 11.985 10.576 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.349 12.653 12.989 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.105 13.925 13.004 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.356 13.920 11.739 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.129 12.393 8.505 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.275 11.580 7.648 1.00 0.00 C ATOM 1422 C GLY A 97 -2.836 12.080 7.672 1.00 0.00 C ATOM 1423 O GLY A 97 -2.580 13.253 7.945 1.00 0.00 O ATOM 0 H GLY A 97 -5.850 12.915 8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.308 10.541 7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.654 11.602 6.626 1.00 0.00 H new ATOM 1427 N SER A 98 -1.899 11.184 7.383 1.00 0.00 N ATOM 1428 CA SER A 98 -0.485 11.537 7.347 1.00 0.00 C ATOM 1429 C SER A 98 0.282 10.645 6.380 1.00 0.00 C ATOM 1430 O SER A 98 0.050 10.679 5.172 1.00 0.00 O ATOM 1431 CB SER A 98 0.116 11.428 8.735 1.00 0.00 C ATOM 1432 OG SER A 98 0.071 10.106 9.199 1.00 0.00 O ATOM 0 H SER A 98 -2.094 10.206 7.170 1.00 0.00 H new ATOM 0 HA SER A 98 -0.405 12.567 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.149 11.776 8.716 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.427 12.077 9.422 1.00 0.00 H new ATOM 0 HG SER A 98 0.897 9.901 9.684 1.00 0.00 H new ATOM 1438 N CYS A 99 1.197 9.846 6.919 1.00 0.00 N ATOM 1439 CA CYS A 99 1.930 8.872 6.119 1.00 0.00 C ATOM 1440 C CYS A 99 1.993 7.520 6.818 1.00 0.00 C ATOM 1441 O CYS A 99 2.532 6.555 6.277 1.00 0.00 O ATOM 1442 CB CYS A 99 3.351 9.364 5.843 1.00 0.00 C ATOM 1443 SG CYS A 99 4.358 9.584 7.330 1.00 0.00 S ATOM 0 H CYS A 99 1.449 9.854 7.907 1.00 0.00 H new ATOM 0 HA CYS A 99 1.396 8.755 5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.848 8.654 5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.298 10.313 5.309 1.00 0.00 H new ATOM 0 HG CYS A 99 5.011 8.487 7.578 1.00 0.00 H new ATOM 1449 N GLN A 100 1.439 7.457 8.024 1.00 0.00 N ATOM 1450 CA GLN A 100 1.413 6.217 8.791 1.00 0.00 C ATOM 1451 C GLN A 100 0.384 5.244 8.230 1.00 0.00 C ATOM 1452 O GLN A 100 -0.808 5.551 8.170 1.00 0.00 O ATOM 1453 CB GLN A 100 1.111 6.505 10.264 1.00 0.00 C ATOM 1454 CG GLN A 100 2.232 7.219 11.000 1.00 0.00 C ATOM 1455 CD GLN A 100 1.874 7.524 12.443 1.00 0.00 C ATOM 1456 OE1 GLN A 100 0.751 7.269 12.886 1.00 0.00 O ATOM 1457 NE2 GLN A 100 2.830 8.072 13.185 1.00 0.00 N ATOM 0 H GLN A 100 1.002 8.251 8.492 1.00 0.00 H new ATOM 0 HA GLN A 100 2.398 5.757 8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.207 7.110 10.327 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.900 5.564 10.771 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.131 6.603 10.974 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.468 8.149 10.483 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.745 8.266 12.777 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.650 8.299 14.163 1.00 0.00 H new ATOM 1466 N PHE A 101 0.849 4.069 7.820 1.00 0.00 N ATOM 1467 CA PHE A 101 0.001 3.110 7.123 1.00 0.00 C ATOM 1468 C PHE A 101 0.127 1.719 7.731 1.00 0.00 C ATOM 1469 O PHE A 101 1.047 1.450 8.504 1.00 0.00 O ATOM 1470 CB PHE A 101 0.363 3.057 5.638 1.00 0.00 C ATOM 1471 CG PHE A 101 1.711 2.450 5.363 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.855 3.232 5.376 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.835 1.096 5.094 1.00 0.00 C ATOM 1474 CE1 PHE A 101 4.094 2.676 5.123 1.00 0.00 C ATOM 1475 CE2 PHE A 101 3.074 0.536 4.842 1.00 0.00 C ATOM 1476 CZ PHE A 101 4.203 1.326 4.856 1.00 0.00 C ATOM 0 H PHE A 101 1.810 3.758 7.959 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.032 3.442 7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.398 2.484 5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.341 4.068 5.232 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.777 4.288 5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.954 0.471 5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.977 3.297 5.134 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.157 -0.521 4.634 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.171 0.890 4.658 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.803 0.838 7.378 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.833 -0.509 7.934 1.00 0.00 C ATOM 1488 C PHE A 102 -0.592 -1.556 6.855 1.00 0.00 C ATOM 1489 O PHE A 102 -0.879 -1.328 5.679 1.00 0.00 O ATOM 1490 CB PHE A 102 -2.174 -0.774 8.619 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.456 0.142 9.775 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -3.059 1.375 9.571 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -2.118 -0.225 11.069 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -3.318 2.218 10.635 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -2.378 0.616 12.134 1.00 0.00 C ATOM 1496 CZ PHE A 102 -2.978 1.839 11.916 1.00 0.00 C ATOM 0 H PHE A 102 -1.547 1.034 6.708 1.00 0.00 H new ATOM 0 HA PHE A 102 -0.032 -0.581 8.670 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.973 -0.673 7.884 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.194 -1.805 8.972 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.329 1.679 8.570 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.646 -1.180 11.246 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.788 3.175 10.463 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.112 0.316 13.137 1.00 0.00 H new ATOM 0 HZ PHE A 102 -3.181 2.498 12.747 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.064 -2.706 7.260 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.120 -3.908 6.437 1.00 0.00 C ATOM 1508 C ILE A 103 -0.745 -5.070 7.200 1.00 0.00 C ATOM 1509 O ILE A 103 -0.166 -5.575 8.162 1.00 0.00 O ATOM 1510 CB ILE A 103 1.285 -4.308 5.952 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.897 -3.188 5.107 1.00 0.00 C ATOM 1512 CG2 ILE A 103 1.224 -5.605 5.159 1.00 0.00 C ATOM 1513 CD1 ILE A 103 3.297 -3.486 4.621 1.00 0.00 C ATOM 0 H ILE A 103 0.409 -2.831 8.155 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.744 -3.680 5.573 1.00 0.00 H new ATOM 0 HB ILE A 103 1.920 -4.468 6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.255 -3.003 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.914 -2.270 5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.226 -5.874 4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.828 -6.400 5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.575 -5.472 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.663 -2.647 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.954 -3.641 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.285 -4.385 4.005 1.00 0.00 H new ATOM 1525 N VAL A 104 -1.928 -5.487 6.766 1.00 0.00 N ATOM 1526 CA VAL A 104 -2.671 -6.536 7.455 1.00 0.00 C ATOM 1527 C VAL A 104 -2.152 -7.918 7.079 1.00 0.00 C ATOM 1528 O VAL A 104 -2.077 -8.263 5.900 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.170 -6.443 7.113 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -4.935 -7.592 7.754 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.724 -5.103 7.573 1.00 0.00 C ATOM 0 H VAL A 104 -2.394 -5.114 5.939 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.531 -6.391 8.526 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.292 -6.518 6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.992 -7.511 7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.546 -8.540 7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.816 -7.549 8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.784 -5.044 7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.595 -5.007 8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.190 -4.297 7.070 1.00 0.00 H new ATOM 1541 N HIS A 105 -1.794 -8.705 8.087 1.00 0.00 N ATOM 1542 CA HIS A 105 -1.398 -10.093 7.873 1.00 0.00 C ATOM 1543 C HIS A 105 -2.593 -11.031 7.990 1.00 0.00 C ATOM 1544 O HIS A 105 -2.811 -11.885 7.130 1.00 0.00 O ATOM 1545 CB HIS A 105 -0.316 -10.507 8.874 1.00 0.00 C ATOM 1546 CG HIS A 105 0.304 -11.837 8.576 1.00 0.00 C ATOM 1547 ND1 HIS A 105 -0.236 -13.025 9.020 1.00 0.00 N ATOM 1548 CD2 HIS A 105 1.415 -12.166 7.878 1.00 0.00 C ATOM 1549 CE1 HIS A 105 0.519 -14.029 8.607 1.00 0.00 C ATOM 1550 NE2 HIS A 105 1.527 -13.534 7.913 1.00 0.00 N ATOM 0 H HIS A 105 -1.770 -8.406 9.062 1.00 0.00 H new ATOM 0 HA HIS A 105 -0.996 -10.168 6.863 1.00 0.00 H new ATOM 0 HB2 HIS A 105 0.465 -9.747 8.886 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -0.750 -10.534 9.874 1.00 0.00 H new ATOM 0 HD2 HIS A 105 2.088 -11.480 7.385 1.00 0.00 H new ATOM 0 HE1 HIS A 105 0.341 -15.076 8.804 1.00 0.00 H new ATOM 0 HE2 HIS A 105 2.269 -14.079 7.474 1.00 0.00 H new ATOM 1557 N GLU A 106 -3.364 -10.868 9.060 1.00 0.00 N ATOM 1558 CA GLU A 106 -4.622 -11.589 9.214 1.00 0.00 C ATOM 1559 C GLU A 106 -5.797 -10.627 9.328 1.00 0.00 C ATOM 1560 O GLU A 106 -5.666 -9.532 9.876 1.00 0.00 O ATOM 1561 CB GLU A 106 -4.570 -12.495 10.445 1.00 0.00 C ATOM 1562 CG GLU A 106 -3.524 -13.598 10.371 1.00 0.00 C ATOM 1563 CD GLU A 106 -3.822 -14.614 9.304 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -4.939 -15.065 9.234 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -2.929 -14.941 8.557 1.00 0.00 O ATOM 0 H GLU A 106 -3.139 -10.242 9.834 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.766 -12.202 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.372 -11.882 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.550 -12.950 10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.547 -13.154 10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.463 -14.100 11.337 1.00 0.00 H new ATOM 1572 N PRO A 107 -6.948 -11.042 8.809 1.00 0.00 N ATOM 1573 CA PRO A 107 -8.142 -10.205 8.826 1.00 0.00 C ATOM 1574 C PRO A 107 -8.446 -9.706 10.232 1.00 0.00 C ATOM 1575 O PRO A 107 -8.342 -10.455 11.203 1.00 0.00 O ATOM 1576 CB PRO A 107 -9.233 -11.151 8.314 1.00 0.00 C ATOM 1577 CG PRO A 107 -8.510 -12.084 7.403 1.00 0.00 C ATOM 1578 CD PRO A 107 -7.184 -12.313 8.078 1.00 0.00 C ATOM 0 HA PRO A 107 -8.045 -9.303 8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.713 -11.686 9.133 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.017 -10.607 7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.057 -13.018 7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -8.381 -11.651 6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.220 -13.166 8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.394 -12.514 7.355 1.00 0.00 H new ATOM 1586 N GLN A 108 -8.820 -8.435 10.336 1.00 0.00 N ATOM 1587 CA GLN A 108 -9.129 -7.829 11.626 1.00 0.00 C ATOM 1588 C GLN A 108 -10.469 -7.108 11.590 1.00 0.00 C ATOM 1589 O GLN A 108 -10.556 -5.963 11.144 1.00 0.00 O ATOM 1590 CB GLN A 108 -8.022 -6.856 12.040 1.00 0.00 C ATOM 1591 CG GLN A 108 -8.246 -6.196 13.389 1.00 0.00 C ATOM 1592 CD GLN A 108 -8.593 -7.197 14.474 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -9.767 -7.427 14.774 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -7.570 -7.801 15.069 1.00 0.00 N ATOM 0 H GLN A 108 -8.917 -7.804 9.541 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.192 -8.630 12.362 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -7.073 -7.392 12.063 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.932 -6.081 11.279 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.347 -5.650 13.677 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -9.050 -5.465 13.303 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.614 -7.580 14.789 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.740 -8.486 15.806 1.00 0.00 H new ATOM 1603 N PRO A 109 -11.513 -7.783 12.060 1.00 0.00 N ATOM 1604 CA PRO A 109 -12.861 -7.228 12.027 1.00 0.00 C ATOM 1605 C PRO A 109 -12.926 -5.895 12.761 1.00 0.00 C ATOM 1606 O PRO A 109 -13.703 -5.013 12.396 1.00 0.00 O ATOM 1607 CB PRO A 109 -13.692 -8.303 12.735 1.00 0.00 C ATOM 1608 CG PRO A 109 -12.956 -9.571 12.465 1.00 0.00 C ATOM 1609 CD PRO A 109 -11.503 -9.184 12.536 1.00 0.00 C ATOM 0 HA PRO A 109 -13.215 -7.012 11.019 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -13.769 -8.107 13.804 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -14.709 -8.342 12.344 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -13.200 -10.336 13.202 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -13.211 -9.978 11.487 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.112 -9.264 13.550 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.883 -9.821 11.905 1.00 0.00 H new ATOM 1617 N HIS A 110 -12.106 -5.754 13.797 1.00 0.00 N ATOM 1618 CA HIS A 110 -12.201 -4.612 14.699 1.00 0.00 C ATOM 1619 C HIS A 110 -11.760 -3.328 14.010 1.00 0.00 C ATOM 1620 O HIS A 110 -12.081 -2.228 14.461 1.00 0.00 O ATOM 1621 CB HIS A 110 -11.352 -4.844 15.954 1.00 0.00 C ATOM 1622 CG HIS A 110 -11.935 -5.852 16.896 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -11.680 -7.203 16.789 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -12.758 -5.705 17.961 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -12.324 -7.845 17.750 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -12.984 -6.960 18.472 1.00 0.00 N ATOM 0 H HIS A 110 -11.368 -6.417 14.033 1.00 0.00 H new ATOM 0 HA HIS A 110 -13.246 -4.507 14.989 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.357 -5.173 15.654 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -11.229 -3.897 16.479 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -11.089 -7.638 16.081 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -13.161 -4.776 18.338 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -12.311 -8.912 17.915 1.00 0.00 H new ATOM 1633 N LEU A 111 -11.020 -3.473 12.916 1.00 0.00 N ATOM 1634 CA LEU A 111 -10.487 -2.325 12.193 1.00 0.00 C ATOM 1635 C LEU A 111 -11.330 -2.006 10.965 1.00 0.00 C ATOM 1636 O LEU A 111 -11.085 -1.021 10.270 1.00 0.00 O ATOM 1637 CB LEU A 111 -9.037 -2.591 11.771 1.00 0.00 C ATOM 1638 CG LEU A 111 -8.017 -2.684 12.913 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -6.649 -3.036 12.346 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -7.974 -1.362 13.664 1.00 0.00 C ATOM 0 H LEU A 111 -10.776 -4.376 12.510 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.517 -1.465 12.862 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.008 -3.523 11.206 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.724 -1.797 11.093 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.311 -3.467 13.612 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.925 -3.102 13.158 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.705 -3.995 11.830 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.337 -2.264 11.643 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.249 -1.428 14.476 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.682 -0.565 12.981 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.960 -1.145 14.075 1.00 0.00 H new ATOM 1652 N ASP A 112 -12.324 -2.848 10.702 1.00 0.00 N ATOM 1653 CA ASP A 112 -13.180 -2.682 9.533 1.00 0.00 C ATOM 1654 C ASP A 112 -13.971 -1.383 9.609 1.00 0.00 C ATOM 1655 O ASP A 112 -14.915 -1.265 10.391 1.00 0.00 O ATOM 1656 CB ASP A 112 -14.141 -3.866 9.400 1.00 0.00 C ATOM 1657 CG ASP A 112 -13.437 -5.161 9.017 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -12.231 -5.158 8.940 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -14.112 -6.140 8.807 1.00 0.00 O ATOM 0 H ASP A 112 -12.557 -3.653 11.283 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.536 -2.643 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -14.666 -4.009 10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -14.895 -3.633 8.649 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.582 -0.411 8.792 1.00 0.00 N ATOM 1665 CA GLY A 113 -14.284 0.867 8.732 1.00 0.00 C ATOM 1666 C GLY A 113 -13.624 1.901 9.634 1.00 0.00 C ATOM 1667 O GLY A 113 -14.018 3.067 9.649 1.00 0.00 O ATOM 0 H GLY A 113 -12.784 -0.483 8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.295 1.231 7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.323 0.729 9.032 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.617 1.467 10.385 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.925 2.346 11.321 1.00 0.00 C ATOM 1673 C VAL A 114 -10.932 3.246 10.599 1.00 0.00 C ATOM 1674 O VAL A 114 -10.883 4.452 10.839 1.00 0.00 O ATOM 1675 CB VAL A 114 -11.183 1.515 12.384 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -10.329 2.416 13.264 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -12.184 0.735 13.223 1.00 0.00 C ATOM 0 H VAL A 114 -12.262 0.511 10.364 1.00 0.00 H new ATOM 0 HA VAL A 114 -12.675 2.972 11.805 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.522 0.808 11.882 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.812 1.812 14.010 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -9.597 2.938 12.648 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -10.966 3.144 13.766 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -11.652 0.149 13.973 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -12.862 1.429 13.719 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -12.756 0.067 12.579 1.00 0.00 H new ATOM 1687 N HIS A 115 -10.139 2.653 9.713 1.00 0.00 N ATOM 1688 CA HIS A 115 -9.178 3.407 8.918 1.00 0.00 C ATOM 1689 C HIS A 115 -9.511 3.332 7.433 1.00 0.00 C ATOM 1690 O HIS A 115 -10.381 2.565 7.021 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.754 2.891 9.154 1.00 0.00 C ATOM 1692 CG HIS A 115 -7.306 2.994 10.578 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -7.073 4.204 11.199 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -7.047 2.040 11.503 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.690 3.988 12.446 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -6.667 2.684 12.655 1.00 0.00 N ATOM 0 H HIS A 115 -10.143 1.650 9.527 1.00 0.00 H new ATOM 0 HA HIS A 115 -9.237 4.448 9.235 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.698 1.849 8.839 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -7.064 3.452 8.524 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.125 0.972 11.361 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -6.439 4.749 13.170 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -6.409 2.229 13.531 1.00 0.00 H new ATOM 1703 N THR A 116 -8.815 4.133 6.634 1.00 0.00 N ATOM 1704 CA THR A 116 -9.073 4.197 5.201 1.00 0.00 C ATOM 1705 C THR A 116 -8.150 3.260 4.432 1.00 0.00 C ATOM 1706 O THR A 116 -6.951 3.510 4.317 1.00 0.00 O ATOM 1707 CB THR A 116 -8.908 5.634 4.671 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.912 6.478 5.250 1.00 0.00 O ATOM 1709 CG2 THR A 116 -9.037 5.663 3.156 1.00 0.00 C ATOM 0 H THR A 116 -8.067 4.748 6.955 1.00 0.00 H new ATOM 0 HA THR A 116 -10.104 3.880 5.045 1.00 0.00 H new ATOM 0 HB THR A 116 -7.917 5.995 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 116 -10.742 6.399 4.735 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.918 6.686 2.800 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.266 5.033 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 116 -10.020 5.291 2.867 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.717 2.179 3.908 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.961 1.239 3.090 1.00 0.00 C ATOM 1719 C VAL A 117 -7.726 1.791 1.690 1.00 0.00 C ATOM 1720 O VAL A 117 -8.658 2.246 1.027 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.710 -0.105 2.989 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -7.977 -1.054 2.053 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.859 -0.718 4.372 1.00 0.00 C ATOM 0 H VAL A 117 -9.698 1.932 4.035 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.995 1.085 3.571 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.704 0.073 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.519 -1.998 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.913 -0.609 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.972 -1.237 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.389 -1.667 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.872 -0.888 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.423 -0.039 5.012 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.475 1.749 1.246 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.083 2.389 -0.005 1.00 0.00 C ATOM 1735 C PHE A 118 -5.374 1.408 -0.928 1.00 0.00 C ATOM 1736 O PHE A 118 -5.228 1.661 -2.125 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.172 3.587 0.271 1.00 0.00 C ATOM 1738 CG PHE A 118 -3.820 3.209 0.804 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.604 3.088 2.169 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -2.758 2.975 -0.059 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.361 2.741 2.660 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.514 2.627 0.431 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.315 2.510 1.790 1.00 0.00 C ATOM 0 H PHE A 118 -5.713 1.278 1.734 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.991 2.733 -0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.043 4.154 -0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.662 4.248 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.418 3.267 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -2.906 3.066 -1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.207 2.650 3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.697 2.446 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.343 2.238 2.173 1.00 0.00 H new ATOM 1753 N GLY A 119 -4.936 0.286 -0.367 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.244 -0.738 -1.140 1.00 0.00 C ATOM 1755 C GLY A 119 -4.381 -2.108 -0.487 1.00 0.00 C ATOM 1756 O GLY A 119 -5.073 -2.260 0.518 1.00 0.00 O ATOM 0 H GLY A 119 -5.048 0.063 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.651 -0.772 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.189 -0.479 -1.230 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.717 -3.103 -1.067 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.727 -4.453 -0.517 1.00 0.00 C ATOM 1762 C GLN A 120 -2.549 -5.267 -1.035 1.00 0.00 C ATOM 1763 O GLN A 120 -2.326 -5.356 -2.242 1.00 0.00 O ATOM 1764 CB GLN A 120 -5.042 -5.159 -0.857 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.167 -6.556 -0.270 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.475 -7.225 -0.645 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.211 -6.741 -1.509 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.773 -8.345 0.004 1.00 0.00 N ATOM 0 H GLN A 120 -3.165 -2.999 -1.918 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.636 -4.373 0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.872 -4.550 -0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.138 -5.222 -1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.336 -7.169 -0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -5.089 -6.499 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -6.135 -8.710 0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.640 -8.840 -0.205 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.796 -5.862 -0.114 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.696 -6.745 -0.479 1.00 0.00 C ATOM 1779 C VAL A 121 -1.203 -7.985 -1.205 1.00 0.00 C ATOM 1780 O VAL A 121 -2.182 -8.604 -0.788 1.00 0.00 O ATOM 1781 CB VAL A 121 0.084 -7.175 0.778 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.145 -8.205 0.421 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.714 -5.957 1.437 1.00 0.00 C ATOM 0 H VAL A 121 -1.929 -5.748 0.891 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.036 -6.193 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.608 -7.635 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.686 -8.497 1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.668 -9.082 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.842 -7.775 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.264 -6.268 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.397 -5.477 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.067 -5.253 1.722 1.00 0.00 H new ATOM 1793 N THR A 122 -0.531 -8.342 -2.294 1.00 0.00 N ATOM 1794 CA THR A 122 -0.928 -9.495 -3.095 1.00 0.00 C ATOM 1795 C THR A 122 0.153 -10.569 -3.085 1.00 0.00 C ATOM 1796 O THR A 122 -0.122 -11.742 -3.340 1.00 0.00 O ATOM 1797 CB THR A 122 -1.234 -9.084 -4.547 1.00 0.00 C ATOM 1798 OG1 THR A 122 -0.059 -8.520 -5.144 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.359 -8.061 -4.585 1.00 0.00 C ATOM 0 H THR A 122 0.291 -7.850 -2.643 1.00 0.00 H new ATOM 0 HA THR A 122 -1.834 -9.903 -2.647 1.00 0.00 H new ATOM 0 HB THR A 122 -1.543 -9.969 -5.103 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.254 -8.260 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.562 -7.782 -5.619 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.257 -8.491 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.065 -7.176 -4.021 1.00 0.00 H new ATOM 1807 N SER A 123 1.382 -10.163 -2.788 1.00 0.00 N ATOM 1808 CA SER A 123 2.500 -11.095 -2.709 1.00 0.00 C ATOM 1809 C SER A 123 3.594 -10.568 -1.791 1.00 0.00 C ATOM 1810 O SER A 123 3.898 -9.374 -1.794 1.00 0.00 O ATOM 1811 CB SER A 123 3.067 -11.349 -4.093 1.00 0.00 C ATOM 1812 OG SER A 123 4.162 -12.221 -4.035 1.00 0.00 O ATOM 0 H SER A 123 1.630 -9.192 -2.598 1.00 0.00 H new ATOM 0 HA SER A 123 2.128 -12.031 -2.293 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.294 -11.772 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.373 -10.405 -4.543 1.00 0.00 H new ATOM 0 HG SER A 123 4.509 -12.371 -4.939 1.00 0.00 H new ATOM 1818 N GLY A 124 4.184 -11.463 -1.005 1.00 0.00 N ATOM 1819 CA GLY A 124 5.314 -11.110 -0.155 1.00 0.00 C ATOM 1820 C GLY A 124 4.859 -10.805 1.266 1.00 0.00 C ATOM 1821 O GLY A 124 5.650 -10.364 2.101 1.00 0.00 O ATOM 0 H GLY A 124 3.897 -12.440 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.033 -11.929 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.827 -10.242 -0.570 1.00 0.00 H new ATOM 1825 N MET A 125 3.580 -11.042 1.537 1.00 0.00 N ATOM 1826 CA MET A 125 3.025 -10.827 2.868 1.00 0.00 C ATOM 1827 C MET A 125 3.796 -11.614 3.920 1.00 0.00 C ATOM 1828 O MET A 125 3.867 -11.213 5.081 1.00 0.00 O ATOM 1829 CB MET A 125 1.547 -11.212 2.893 1.00 0.00 C ATOM 1830 CG MET A 125 0.799 -10.760 4.139 1.00 0.00 C ATOM 1831 SD MET A 125 -0.948 -11.205 4.101 1.00 0.00 S ATOM 1832 CE MET A 125 -0.874 -12.912 4.636 1.00 0.00 C ATOM 0 H MET A 125 2.907 -11.384 0.851 1.00 0.00 H new ATOM 0 HA MET A 125 3.118 -9.767 3.106 1.00 0.00 H new ATOM 0 HB2 MET A 125 1.059 -10.786 2.017 1.00 0.00 H new ATOM 0 HB3 MET A 125 1.465 -12.296 2.808 1.00 0.00 H new ATOM 0 HG2 MET A 125 1.264 -11.205 5.019 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.892 -9.679 4.242 1.00 0.00 H new ATOM 0 HE1 MET A 125 -1.861 -13.365 4.545 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.165 -13.458 4.013 1.00 0.00 H new ATOM 0 HE3 MET A 125 -0.550 -12.954 5.676 1.00 0.00 H new ATOM 1842 N ASP A 126 4.374 -12.737 3.507 1.00 0.00 N ATOM 1843 CA ASP A 126 5.165 -13.568 4.405 1.00 0.00 C ATOM 1844 C ASP A 126 6.274 -12.761 5.069 1.00 0.00 C ATOM 1845 O ASP A 126 6.681 -13.054 6.193 1.00 0.00 O ATOM 1846 CB ASP A 126 5.770 -14.753 3.648 1.00 0.00 C ATOM 1847 CG ASP A 126 4.738 -15.809 3.278 1.00 0.00 C ATOM 1848 OD1 ASP A 126 3.643 -15.742 3.782 1.00 0.00 O ATOM 1849 OD2 ASP A 126 5.056 -16.672 2.495 1.00 0.00 O ATOM 0 H ASP A 126 4.309 -13.093 2.553 1.00 0.00 H new ATOM 0 HA ASP A 126 4.498 -13.943 5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.252 -14.390 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 126 6.547 -15.210 4.261 1.00 0.00 H new ATOM 1854 N VAL A 127 6.760 -11.744 4.365 1.00 0.00 N ATOM 1855 CA VAL A 127 7.769 -10.846 4.915 1.00 0.00 C ATOM 1856 C VAL A 127 7.307 -10.240 6.234 1.00 0.00 C ATOM 1857 O VAL A 127 8.094 -10.093 7.170 1.00 0.00 O ATOM 1858 CB VAL A 127 8.079 -9.716 3.916 1.00 0.00 C ATOM 1859 CG1 VAL A 127 8.964 -8.661 4.562 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.744 -10.291 2.674 1.00 0.00 C ATOM 0 H VAL A 127 6.471 -11.521 3.412 1.00 0.00 H new ATOM 0 HA VAL A 127 8.670 -11.432 5.097 1.00 0.00 H new ATOM 0 HB VAL A 127 7.145 -9.238 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.173 -7.870 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.453 -8.238 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.901 -9.118 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 127 8.961 -9.486 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.673 -10.787 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.075 -11.012 2.204 1.00 0.00 H new ATOM 1870 N VAL A 128 6.027 -9.890 6.303 1.00 0.00 N ATOM 1871 CA VAL A 128 5.461 -9.291 7.505 1.00 0.00 C ATOM 1872 C VAL A 128 5.582 -10.229 8.698 1.00 0.00 C ATOM 1873 O VAL A 128 5.928 -9.806 9.801 1.00 0.00 O ATOM 1874 CB VAL A 128 3.977 -8.940 7.279 1.00 0.00 C ATOM 1875 CG1 VAL A 128 3.334 -8.482 8.579 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.856 -7.866 6.209 1.00 0.00 C ATOM 0 H VAL A 128 5.362 -10.011 5.539 1.00 0.00 H new ATOM 0 HA VAL A 128 6.024 -8.382 7.718 1.00 0.00 H new ATOM 0 HB VAL A 128 3.451 -9.832 6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.287 -8.238 8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.400 -9.280 9.319 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.854 -7.599 8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.805 -7.623 6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.392 -6.972 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.285 -8.232 5.276 1.00 0.00 H new ATOM 1886 N ARG A 129 5.294 -11.507 8.472 1.00 0.00 N ATOM 1887 CA ARG A 129 5.356 -12.506 9.532 1.00 0.00 C ATOM 1888 C ARG A 129 6.738 -12.547 10.170 1.00 0.00 C ATOM 1889 O ARG A 129 6.866 -12.682 11.387 1.00 0.00 O ATOM 1890 CB ARG A 129 5.011 -13.884 8.988 1.00 0.00 C ATOM 1891 CG ARG A 129 4.927 -14.983 10.037 1.00 0.00 C ATOM 1892 CD ARG A 129 4.699 -16.315 9.420 1.00 0.00 C ATOM 1893 NE ARG A 129 3.410 -16.391 8.754 1.00 0.00 N ATOM 1894 CZ ARG A 129 3.089 -17.296 7.808 1.00 0.00 C ATOM 1895 NH1 ARG A 129 3.973 -18.194 7.431 1.00 0.00 N ATOM 1896 NH2 ARG A 129 1.887 -17.282 7.261 1.00 0.00 N ATOM 0 H ARG A 129 5.015 -11.875 7.563 1.00 0.00 H new ATOM 0 HA ARG A 129 4.627 -12.223 10.292 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.055 -13.825 8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.760 -14.165 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.850 -15.004 10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 129 4.118 -14.761 10.733 1.00 0.00 H new ATOM 0 HD2 ARG A 129 5.492 -16.522 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 129 4.756 -17.086 10.189 1.00 0.00 H new ATOM 0 HE ARG A 129 2.698 -15.712 9.021 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.901 -18.205 7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.731 -18.879 6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.201 -16.586 7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.644 -17.967 6.545 1.00 0.00 H new ATOM 1910 N THR A 130 7.770 -12.429 9.342 1.00 0.00 N ATOM 1911 CA THR A 130 9.146 -12.498 9.820 1.00 0.00 C ATOM 1912 C THR A 130 9.795 -11.120 9.835 1.00 0.00 C ATOM 1913 O THR A 130 11.015 -10.998 9.939 1.00 0.00 O ATOM 1914 CB THR A 130 9.986 -13.454 8.952 1.00 0.00 C ATOM 1915 OG1 THR A 130 9.979 -13.002 7.592 1.00 0.00 O ATOM 1916 CG2 THR A 130 9.423 -14.865 9.016 1.00 0.00 C ATOM 0 H THR A 130 7.680 -12.285 8.336 1.00 0.00 H new ATOM 0 HA THR A 130 9.114 -12.881 10.840 1.00 0.00 H new ATOM 0 HB THR A 130 11.007 -13.463 9.333 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.515 -13.611 7.042 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.029 -15.527 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.440 -15.217 10.047 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.396 -14.864 8.649 1.00 0.00 H new ATOM 1924 N MET A 131 8.970 -10.083 9.731 1.00 0.00 N ATOM 1925 CA MET A 131 9.464 -8.711 9.702 1.00 0.00 C ATOM 1926 C MET A 131 10.015 -8.295 11.060 1.00 0.00 C ATOM 1927 O MET A 131 9.404 -8.560 12.095 1.00 0.00 O ATOM 1928 CB MET A 131 8.352 -7.760 9.263 1.00 0.00 C ATOM 1929 CG MET A 131 8.798 -6.317 9.071 1.00 0.00 C ATOM 1930 SD MET A 131 7.454 -5.240 8.534 1.00 0.00 S ATOM 1931 CE MET A 131 7.286 -5.735 6.823 1.00 0.00 C ATOM 0 H MET A 131 7.956 -10.167 9.665 1.00 0.00 H new ATOM 0 HA MET A 131 10.279 -8.659 8.980 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.928 -8.124 8.327 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.555 -7.785 10.006 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.208 -5.940 10.008 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.601 -6.284 8.335 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.986 -4.876 6.223 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.240 -6.116 6.459 1.00 0.00 H new ATOM 0 HE3 MET A 131 6.529 -6.515 6.743 1.00 0.00 H new ATOM 1941 N LYS A 132 11.172 -7.643 11.048 1.00 0.00 N ATOM 1942 CA LYS A 132 11.772 -7.126 12.272 1.00 0.00 C ATOM 1943 C LYS A 132 11.103 -5.827 12.706 1.00 0.00 C ATOM 1944 O LYS A 132 10.766 -4.984 11.875 1.00 0.00 O ATOM 1945 CB LYS A 132 13.274 -6.906 12.082 1.00 0.00 C ATOM 1946 CG LYS A 132 13.984 -6.327 13.298 1.00 0.00 C ATOM 1947 CD LYS A 132 15.482 -6.211 13.060 1.00 0.00 C ATOM 1948 CE LYS A 132 16.191 -5.616 14.267 1.00 0.00 C ATOM 1949 NZ LYS A 132 17.660 -5.512 14.055 1.00 0.00 N ATOM 0 H LYS A 132 11.714 -7.460 10.203 1.00 0.00 H new ATOM 0 HA LYS A 132 11.620 -7.867 13.057 1.00 0.00 H new ATOM 0 HB2 LYS A 132 13.738 -7.858 11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 132 13.427 -6.237 11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.573 -5.344 13.528 1.00 0.00 H new ATOM 0 HG3 LYS A 132 13.799 -6.961 14.166 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.895 -7.196 12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.666 -5.588 12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.784 -4.627 14.475 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.994 -6.233 15.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 18.105 -5.102 14.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 18.054 -6.459 13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 17.850 -4.902 13.234 1.00 0.00 H new ATOM 1963 N ASN A 133 10.915 -5.672 14.012 1.00 0.00 N ATOM 1964 CA ASN A 133 10.439 -4.414 14.574 1.00 0.00 C ATOM 1965 C ASN A 133 11.390 -3.270 14.245 1.00 0.00 C ATOM 1966 O ASN A 133 12.505 -3.208 14.765 1.00 0.00 O ATOM 1967 CB ASN A 133 10.251 -4.536 16.074 1.00 0.00 C ATOM 1968 CG ASN A 133 9.581 -3.331 16.673 1.00 0.00 C ATOM 1969 OD1 ASN A 133 9.622 -2.235 16.103 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.964 -3.511 17.813 1.00 0.00 N ATOM 0 H ASN A 133 11.085 -6.403 14.702 1.00 0.00 H new ATOM 0 HA ASN A 133 9.473 -4.189 14.121 1.00 0.00 H new ATOM 0 HB2 ASN A 133 9.656 -5.423 16.291 1.00 0.00 H new ATOM 0 HB3 ASN A 133 11.222 -4.680 16.548 1.00 0.00 H new ATOM 0 HD21 ASN A 133 8.492 -2.729 18.266 1.00 0.00 H new ATOM 0 HD22 ASN A 133 8.955 -4.433 18.248 1.00 0.00 H new ATOM 1977 N GLY A 134 10.944 -2.366 13.379 1.00 0.00 N ATOM 1978 CA GLY A 134 11.781 -1.264 12.922 1.00 0.00 C ATOM 1979 C GLY A 134 12.549 -1.642 11.662 1.00 0.00 C ATOM 1980 O GLY A 134 13.557 -1.020 11.327 1.00 0.00 O ATOM 0 H GLY A 134 10.006 -2.376 12.979 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.160 -0.390 12.724 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.482 -0.986 13.709 1.00 0.00 H new ATOM 1984 N ASP A 135 12.066 -2.666 10.966 1.00 0.00 N ATOM 1985 CA ASP A 135 12.651 -3.071 9.693 1.00 0.00 C ATOM 1986 C ASP A 135 12.611 -1.933 8.681 1.00 0.00 C ATOM 1987 O ASP A 135 11.588 -1.267 8.521 1.00 0.00 O ATOM 1988 CB ASP A 135 11.917 -4.289 9.129 1.00 0.00 C ATOM 1989 CG ASP A 135 12.679 -4.969 7.999 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.732 -4.493 7.647 1.00 0.00 O ATOM 1991 OD2 ASP A 135 12.200 -5.958 7.498 1.00 0.00 O ATOM 0 H ASP A 135 11.270 -3.231 11.263 1.00 0.00 H new ATOM 0 HA ASP A 135 13.693 -3.333 9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.748 -5.008 9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 135 10.937 -3.980 8.765 1.00 0.00 H new ATOM 1996 N VAL A 136 13.730 -1.715 7.998 1.00 0.00 N ATOM 1997 CA VAL A 136 13.882 -0.558 7.126 1.00 0.00 C ATOM 1998 C VAL A 136 13.322 -0.837 5.737 1.00 0.00 C ATOM 1999 O VAL A 136 13.640 -1.856 5.123 1.00 0.00 O ATOM 2000 CB VAL A 136 15.367 -0.167 7.008 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.537 1.000 6.048 1.00 0.00 C ATOM 2002 CG2 VAL A 136 15.922 0.178 8.381 1.00 0.00 C ATOM 0 H VAL A 136 14.546 -2.326 8.032 1.00 0.00 H new ATOM 0 HA VAL A 136 13.322 0.265 7.570 1.00 0.00 H new ATOM 0 HB VAL A 136 15.925 -1.014 6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.593 1.262 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.167 0.717 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.974 1.858 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 136 16.973 0.454 8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.362 1.014 8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 136 15.829 -0.686 9.039 1.00 0.00 H new ATOM 2012 N MET A 137 12.487 0.071 5.246 1.00 0.00 N ATOM 2013 CA MET A 137 12.012 0.012 3.868 1.00 0.00 C ATOM 2014 C MET A 137 13.040 0.593 2.906 1.00 0.00 C ATOM 2015 O MET A 137 13.147 1.810 2.757 1.00 0.00 O ATOM 2016 CB MET A 137 10.682 0.750 3.737 1.00 0.00 C ATOM 2017 CG MET A 137 9.545 0.151 4.550 1.00 0.00 C ATOM 2018 SD MET A 137 7.953 0.923 4.196 1.00 0.00 S ATOM 2019 CE MET A 137 8.122 2.469 5.083 1.00 0.00 C ATOM 0 H MET A 137 12.124 0.859 5.783 1.00 0.00 H new ATOM 0 HA MET A 137 11.862 -1.035 3.605 1.00 0.00 H new ATOM 0 HB2 MET A 137 10.824 1.786 4.044 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.392 0.766 2.687 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.480 -0.917 4.344 1.00 0.00 H new ATOM 0 HG3 MET A 137 9.768 0.258 5.612 1.00 0.00 H new ATOM 0 HE1 MET A 137 7.173 2.723 5.556 1.00 0.00 H new ATOM 0 HE2 MET A 137 8.893 2.368 5.847 1.00 0.00 H new ATOM 0 HE3 MET A 137 8.403 3.259 4.387 1.00 0.00 H new ATOM 2029 N LYS A 138 13.795 -0.286 2.255 1.00 0.00 N ATOM 2030 CA LYS A 138 14.902 0.137 1.404 1.00 0.00 C ATOM 2031 C LYS A 138 14.410 0.998 0.249 1.00 0.00 C ATOM 2032 O LYS A 138 14.980 2.050 -0.040 1.00 0.00 O ATOM 2033 CB LYS A 138 15.660 -1.079 0.868 1.00 0.00 C ATOM 2034 CG LYS A 138 16.852 -0.737 -0.016 1.00 0.00 C ATOM 2035 CD LYS A 138 17.613 -1.989 -0.424 1.00 0.00 C ATOM 2036 CE LYS A 138 18.788 -1.651 -1.331 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.539 -2.868 -1.744 1.00 0.00 N ATOM 0 H LYS A 138 13.661 -1.296 2.300 1.00 0.00 H new ATOM 0 HA LYS A 138 15.580 0.737 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.008 -1.676 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 138 14.969 -1.702 0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.508 -0.211 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.520 -0.060 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 138 17.974 -2.504 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 138 16.940 -2.675 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.425 -1.131 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.461 -0.967 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.331 -2.595 -2.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 19.908 -3.351 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 18.904 -3.509 -2.260 1.00 0.00 H new ATOM 2051 N GLU A 139 13.347 0.547 -0.409 1.00 0.00 N ATOM 2052 CA GLU A 139 12.826 1.233 -1.586 1.00 0.00 C ATOM 2053 C GLU A 139 11.322 1.033 -1.718 1.00 0.00 C ATOM 2054 O GLU A 139 10.855 -0.067 -2.013 1.00 0.00 O ATOM 2055 CB GLU A 139 13.529 0.734 -2.849 1.00 0.00 C ATOM 2056 CG GLU A 139 12.993 1.329 -4.144 1.00 0.00 C ATOM 2057 CD GLU A 139 13.715 0.824 -5.362 1.00 0.00 C ATOM 2058 OE1 GLU A 139 14.740 0.207 -5.210 1.00 0.00 O ATOM 2059 OE2 GLU A 139 13.237 1.056 -6.449 1.00 0.00 O ATOM 0 H GLU A 139 12.829 -0.292 -0.147 1.00 0.00 H new ATOM 0 HA GLU A 139 13.022 2.298 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.592 0.961 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.437 -0.351 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.932 1.095 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.078 2.415 -4.102 1.00 0.00 H new ATOM 2066 N VAL A 140 10.566 2.104 -1.497 1.00 0.00 N ATOM 2067 CA VAL A 140 9.125 2.083 -1.715 1.00 0.00 C ATOM 2068 C VAL A 140 8.744 2.867 -2.964 1.00 0.00 C ATOM 2069 O VAL A 140 8.966 4.075 -3.041 1.00 0.00 O ATOM 2070 CB VAL A 140 8.392 2.675 -0.496 1.00 0.00 C ATOM 2071 CG1 VAL A 140 6.886 2.644 -0.714 1.00 0.00 C ATOM 2072 CG2 VAL A 140 8.772 1.908 0.761 1.00 0.00 C ATOM 0 H VAL A 140 10.929 2.998 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 140 8.826 1.044 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 140 8.694 3.715 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.384 3.066 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.634 3.230 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.560 1.614 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 140 8.250 2.333 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.491 0.861 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 140 9.848 1.980 0.920 1.00 0.00 H new ATOM 2082 N LYS A 141 8.170 2.173 -3.940 1.00 0.00 N ATOM 2083 CA LYS A 141 7.842 2.783 -5.223 1.00 0.00 C ATOM 2084 C LYS A 141 6.398 2.496 -5.616 1.00 0.00 C ATOM 2085 O LYS A 141 5.845 1.453 -5.267 1.00 0.00 O ATOM 2086 CB LYS A 141 8.792 2.282 -6.312 1.00 0.00 C ATOM 2087 CG LYS A 141 10.247 2.683 -6.111 1.00 0.00 C ATOM 2088 CD LYS A 141 10.443 4.177 -6.326 1.00 0.00 C ATOM 2089 CE LYS A 141 11.883 4.591 -6.059 1.00 0.00 C ATOM 2090 NZ LYS A 141 12.839 3.897 -6.965 1.00 0.00 N ATOM 0 H LYS A 141 7.922 1.186 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 141 7.959 3.862 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.731 1.195 -6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.453 2.662 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.565 2.413 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.879 2.128 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.171 4.438 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 141 9.775 4.732 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 141 11.980 5.669 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.138 4.368 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 13.769 4.359 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 12.928 2.901 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 12.488 3.946 -7.943 1.00 0.00 H new ATOM 2104 N VAL A 142 5.793 3.428 -6.344 1.00 0.00 N ATOM 2105 CA VAL A 142 4.443 3.238 -6.864 1.00 0.00 C ATOM 2106 C VAL A 142 4.366 3.604 -8.341 1.00 0.00 C ATOM 2107 O VAL A 142 4.995 4.563 -8.787 1.00 0.00 O ATOM 2108 CB VAL A 142 3.439 4.096 -6.072 1.00 0.00 C ATOM 2109 CG1 VAL A 142 2.048 3.979 -6.675 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.434 3.672 -4.612 1.00 0.00 C ATOM 0 H VAL A 142 6.216 4.324 -6.588 1.00 0.00 H new ATOM 0 HA VAL A 142 4.190 2.184 -6.752 1.00 0.00 H new ATOM 0 HB VAL A 142 3.744 5.141 -6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.351 4.592 -6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.070 4.323 -7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.725 2.938 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.722 4.283 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.146 2.623 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.431 3.805 -4.191 1.00 0.00 H new ATOM 2120 N PHE A 143 3.591 2.833 -9.096 1.00 0.00 N ATOM 2121 CA PHE A 143 3.499 3.019 -10.540 1.00 0.00 C ATOM 2122 C PHE A 143 2.096 2.709 -11.046 1.00 0.00 C ATOM 2123 O PHE A 143 1.292 2.099 -10.342 1.00 0.00 O ATOM 2124 CB PHE A 143 4.514 2.128 -11.259 1.00 0.00 C ATOM 2125 CG PHE A 143 4.346 0.663 -10.971 1.00 0.00 C ATOM 2126 CD1 PHE A 143 4.931 0.089 -9.853 1.00 0.00 C ATOM 2127 CD2 PHE A 143 3.602 -0.144 -11.819 1.00 0.00 C ATOM 2128 CE1 PHE A 143 4.779 -1.257 -9.587 1.00 0.00 C ATOM 2129 CE2 PHE A 143 3.447 -1.492 -11.555 1.00 0.00 C ATOM 2130 CZ PHE A 143 4.035 -2.049 -10.440 1.00 0.00 C ATOM 0 H PHE A 143 3.017 2.073 -8.732 1.00 0.00 H new ATOM 0 HA PHE A 143 3.722 4.064 -10.755 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.428 2.290 -12.334 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.520 2.433 -10.970 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.513 0.703 -9.182 1.00 0.00 H new ATOM 0 HD2 PHE A 143 3.139 0.285 -12.695 1.00 0.00 H new ATOM 0 HE1 PHE A 143 5.241 -1.691 -8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 143 2.865 -2.109 -12.223 1.00 0.00 H new ATOM 0 HZ PHE A 143 3.914 -3.102 -10.234 1.00 0.00 H new ATOM 2140 N ASP A 144 1.808 3.135 -12.271 1.00 0.00 N ATOM 2141 CA ASP A 144 0.506 2.890 -12.880 1.00 0.00 C ATOM 2142 C ASP A 144 0.470 1.535 -13.574 1.00 0.00 C ATOM 2143 O ASP A 144 1.439 1.126 -14.212 1.00 0.00 O ATOM 2144 CB ASP A 144 0.169 3.994 -13.887 1.00 0.00 C ATOM 2145 CG ASP A 144 -0.143 5.327 -13.221 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -0.337 5.343 -12.029 1.00 0.00 O ATOM 2147 OD2 ASP A 144 -0.185 6.317 -13.911 1.00 0.00 O ATOM 0 H ASP A 144 2.459 3.652 -12.862 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.238 2.891 -12.083 1.00 0.00 H new ATOM 0 HB2 ASP A 144 1.007 4.123 -14.572 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -0.687 3.684 -14.486 1.00 0.00 H new ATOM 2152 N GLU A 145 -0.656 0.840 -13.445 1.00 0.00 N ATOM 2153 CA GLU A 145 -0.814 -0.481 -14.039 1.00 0.00 C ATOM 2154 C GLU A 145 -2.285 -0.849 -14.184 1.00 0.00 C ATOM 2155 O GLU A 145 -2.832 -1.593 -13.370 1.00 0.00 O ATOM 2156 CB GLU A 145 -0.095 -1.535 -13.193 1.00 0.00 C ATOM 2157 CG GLU A 145 -0.146 -2.944 -13.768 1.00 0.00 C ATOM 2158 CD GLU A 145 0.614 -3.077 -15.058 1.00 0.00 C ATOM 2159 OE1 GLU A 145 1.309 -2.155 -15.414 1.00 0.00 O ATOM 2160 OE2 GLU A 145 0.502 -4.102 -15.688 1.00 0.00 O ATOM 0 H GLU A 145 -1.474 1.172 -12.933 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.368 -0.454 -15.033 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.948 -1.241 -13.077 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -0.536 -1.546 -12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.261 -3.644 -13.038 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -1.186 -3.226 -13.934 1.00 0.00 H new ATOM 2167 N PRO A 146 -2.921 -0.324 -15.225 1.00 0.00 N ATOM 2168 CA PRO A 146 -4.319 -0.631 -15.504 1.00 0.00 C ATOM 2169 C PRO A 146 -4.557 -2.136 -15.531 1.00 0.00 C ATOM 2170 O PRO A 146 -5.202 -2.552 -14.891 1.00 0.00 O ATOM 2171 CB PRO A 146 -4.544 0.002 -16.881 1.00 0.00 C ATOM 2172 CG PRO A 146 -3.585 1.143 -16.919 1.00 0.00 C ATOM 2173 CD PRO A 146 -2.362 0.628 -16.210 1.00 0.00 C ATOM 2174 OXT PRO A 146 -3.970 -2.822 -16.323 1.00 0.00 O ATOM 0 HA PRO A 146 -5.004 -0.251 -14.746 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -4.349 -0.710 -17.683 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.573 0.342 -17.000 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -3.356 1.436 -17.944 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -3.993 2.022 -16.420 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -1.673 0.138 -16.898 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -1.809 1.432 -15.725 1.00 0.00 H new TER 2182 PRO A 146