USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 863 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 34 TYR OH : rot 180:sc= -0.673 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 10 SER OG : rot 161:sc= -0.772 USER MOD Set 2.2: A 71 ASN :FLIP amide:sc= -1.76! C(o=-5.3!,f=-2.5!) USER MOD Set 3.1: A 6 MET CE :methyl 180:sc= -0.125 (180deg=0) USER MOD Set 3.2: A 20 CYS SG : rot 180:sc= -0.135 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0255 (180deg=-0.356) USER MOD Single : A 2 THR OG1 : rot 142:sc= 0.948 USER MOD Single : A 4 CYS SG : rot 135:sc= 0.0216 USER MOD Single : A 7 TYR OH : rot 137:sc= 1.52 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 160:sc= -0.849 (180deg=-1.42) USER MOD Single : A 14 SER OG : rot 91:sc= 0.605 USER MOD Single : A 15 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-1.4) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 23 MET CE :methyl 149:sc= -0.0149 (180deg=-1.38) USER MOD Single : A 29 SER OG : rot -73:sc= 1.04 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.251 K(o=-0.25,f=-0.92) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -128:sc= -0.0265 (180deg=-0.7) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc=-0.000175 (180deg=-0.0773) USER MOD Single : A 77 MET CE :methyl -153:sc= -9.13! (180deg=-13.1!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -116:sc= -0.65 (180deg=-3.42!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= -0.0174 (180deg=-0.19) USER MOD Single : A 93 LYS NZ :NH3+ 167:sc=-0.00492 (180deg=-0.1) USER MOD Single : A 95 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.0293 K(o=-0.029,f=-0.73) USER MOD Single : A 102 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00296) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 39:sc= 0.119 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.817 0.802 0.497 1.00 0.00 N ATOM 2 CA MET A 1 1.409 0.542 -0.810 1.00 0.00 C ATOM 3 C MET A 1 0.389 0.759 -1.923 1.00 0.00 C ATOM 4 O MET A 1 0.387 0.046 -2.927 1.00 0.00 O ATOM 5 CB MET A 1 1.953 -0.887 -0.873 1.00 0.00 C ATOM 6 CG MET A 1 0.952 -1.938 -0.421 1.00 0.00 C ATOM 7 SD MET A 1 1.526 -3.620 -0.725 1.00 0.00 S ATOM 8 CE MET A 1 1.064 -3.831 -2.443 1.00 0.00 C ATOM 0 H1 MET A 1 1.447 0.442 1.242 1.00 0.00 H new ATOM 0 H2 MET A 1 0.685 1.826 0.621 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.104 0.324 0.562 1.00 0.00 H new ATOM 0 HA MET A 1 2.231 1.243 -0.953 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.260 -1.105 -1.896 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.845 -0.955 -0.251 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.755 -1.812 0.644 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.007 -1.781 -0.941 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.354 -4.827 -2.778 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.015 -3.713 -2.547 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.571 -3.081 -3.051 1.00 0.00 H new ATOM 18 N THR A 2 -0.480 1.749 -1.738 1.00 0.00 N ATOM 19 CA THR A 2 -1.506 2.059 -2.725 1.00 0.00 C ATOM 20 C THR A 2 -1.055 3.181 -3.654 1.00 0.00 C ATOM 21 O THR A 2 -0.343 4.096 -3.238 1.00 0.00 O ATOM 22 CB THR A 2 -2.829 2.467 -2.051 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.993 1.753 -0.821 1.00 0.00 O ATOM 24 CG2 THR A 2 -4.012 2.188 -2.966 1.00 0.00 C ATOM 0 H THR A 2 -0.493 2.349 -0.913 1.00 0.00 H new ATOM 0 HA THR A 2 -1.668 1.152 -3.307 1.00 0.00 H new ATOM 0 HB THR A 2 -2.792 3.537 -1.848 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.401 2.342 -0.153 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.935 2.484 -2.468 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.899 2.756 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.050 1.123 -3.197 1.00 0.00 H new ATOM 32 N LEU A 3 -1.474 3.106 -4.912 1.00 0.00 N ATOM 33 CA LEU A 3 -1.114 4.117 -5.900 1.00 0.00 C ATOM 34 C LEU A 3 -2.359 4.779 -6.481 1.00 0.00 C ATOM 35 O LEU A 3 -3.091 4.170 -7.262 1.00 0.00 O ATOM 36 CB LEU A 3 -0.286 3.488 -7.022 1.00 0.00 C ATOM 37 CG LEU A 3 1.137 3.068 -6.652 1.00 0.00 C ATOM 38 CD1 LEU A 3 1.854 2.489 -7.862 1.00 0.00 C ATOM 39 CD2 LEU A 3 1.912 4.248 -6.085 1.00 0.00 C ATOM 0 H LEU A 3 -2.063 2.356 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.519 4.882 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.818 2.611 -7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.231 4.198 -7.847 1.00 0.00 H new ATOM 0 HG LEU A 3 1.079 2.296 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.865 2.196 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.311 1.616 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.901 3.240 -8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.922 3.930 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.961 5.043 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.409 4.618 -5.191 1.00 0.00 H new ATOM 51 N CYS A 4 -2.592 6.029 -6.096 1.00 0.00 N ATOM 52 CA CYS A 4 -3.749 6.775 -6.580 1.00 0.00 C ATOM 53 C CYS A 4 -3.317 8.087 -7.226 1.00 0.00 C ATOM 54 O CYS A 4 -2.256 8.625 -6.914 1.00 0.00 O ATOM 55 CB CYS A 4 -4.719 7.053 -5.431 1.00 0.00 C ATOM 56 SG CYS A 4 -5.105 5.602 -4.423 1.00 0.00 S ATOM 0 H CYS A 4 -1.996 6.547 -5.451 1.00 0.00 H new ATOM 0 HA CYS A 4 -4.253 6.169 -7.333 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -4.294 7.825 -4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.646 7.454 -5.841 1.00 0.00 H new ATOM 0 HG CYS A 4 -5.045 5.920 -3.164 1.00 0.00 H new ATOM 62 N ALA A 5 -4.148 8.596 -8.131 1.00 0.00 N ATOM 63 CA ALA A 5 -3.853 9.845 -8.821 1.00 0.00 C ATOM 64 C ALA A 5 -5.054 10.784 -8.796 1.00 0.00 C ATOM 65 O ALA A 5 -6.201 10.341 -8.852 1.00 0.00 O ATOM 66 CB ALA A 5 -3.428 9.567 -10.256 1.00 0.00 C ATOM 0 H ALA A 5 -5.030 8.162 -8.403 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.032 10.335 -8.298 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.211 10.509 -10.760 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.536 8.941 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.233 9.052 -10.781 1.00 0.00 H new ATOM 72 N MET A 6 -4.783 12.082 -8.710 1.00 0.00 N ATOM 73 CA MET A 6 -5.843 13.083 -8.677 1.00 0.00 C ATOM 74 C MET A 6 -6.080 13.669 -10.065 1.00 0.00 C ATOM 75 O MET A 6 -5.253 14.421 -10.581 1.00 0.00 O ATOM 76 CB MET A 6 -5.489 14.199 -7.693 1.00 0.00 C ATOM 77 CG MET A 6 -5.261 13.707 -6.272 1.00 0.00 C ATOM 78 SD MET A 6 -6.743 13.822 -5.252 1.00 0.00 S ATOM 79 CE MET A 6 -6.658 12.273 -4.356 1.00 0.00 C ATOM 0 H MET A 6 -3.839 12.465 -8.662 1.00 0.00 H new ATOM 0 HA MET A 6 -6.760 12.595 -8.347 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.590 14.708 -8.041 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.291 14.937 -7.689 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.923 12.671 -6.300 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.463 14.290 -5.813 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.510 12.196 -3.681 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.678 11.443 -5.062 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.734 12.237 -3.779 1.00 0.00 H new ATOM 89 N TYR A 7 -7.213 13.321 -10.664 1.00 0.00 N ATOM 90 CA TYR A 7 -7.557 13.811 -11.993 1.00 0.00 C ATOM 91 C TYR A 7 -8.600 14.922 -11.912 1.00 0.00 C ATOM 92 O TYR A 7 -9.773 14.669 -11.642 1.00 0.00 O ATOM 93 CB TYR A 7 -8.083 12.666 -12.861 1.00 0.00 C ATOM 94 CG TYR A 7 -7.771 12.829 -14.332 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.357 13.844 -15.078 1.00 0.00 C ATOM 96 CD2 TYR A 7 -6.890 11.969 -14.975 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.076 13.996 -16.422 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.601 12.114 -16.318 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.197 13.129 -17.037 1.00 0.00 C ATOM 100 OH TYR A 7 -6.913 13.278 -18.376 1.00 0.00 O ATOM 0 H TYR A 7 -7.909 12.701 -10.250 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.653 14.218 -12.447 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.654 11.728 -12.509 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.163 12.591 -12.733 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.044 14.526 -14.599 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.423 11.173 -14.415 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.542 14.789 -16.988 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.913 11.437 -16.802 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.950 13.167 -18.521 1.00 0.00 H new ATOM 110 N ASN A 8 -8.161 16.154 -12.148 1.00 0.00 N ATOM 111 CA ASN A 8 -9.055 17.305 -12.102 1.00 0.00 C ATOM 112 C ASN A 8 -9.600 17.627 -13.490 1.00 0.00 C ATOM 113 O ASN A 8 -8.860 18.060 -14.373 1.00 0.00 O ATOM 114 CB ASN A 8 -8.323 18.523 -11.534 1.00 0.00 C ATOM 115 CG ASN A 8 -7.357 18.152 -10.426 1.00 0.00 C ATOM 116 OD1 ASN A 8 -7.750 17.580 -9.409 1.00 0.00 O ATOM 117 ND2 ASN A 8 -6.084 18.477 -10.618 1.00 0.00 N ATOM 0 H ASN A 8 -7.192 16.381 -12.373 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.893 17.057 -11.451 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.778 19.022 -12.335 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.053 19.237 -11.152 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.388 18.253 -9.907 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.802 18.951 -11.476 1.00 0.00 H new ATOM 124 N ILE A 9 -10.899 17.414 -13.674 1.00 0.00 N ATOM 125 CA ILE A 9 -11.543 17.682 -14.953 1.00 0.00 C ATOM 126 C ILE A 9 -12.661 18.708 -14.801 1.00 0.00 C ATOM 127 O ILE A 9 -13.516 18.584 -13.925 1.00 0.00 O ATOM 128 CB ILE A 9 -12.122 16.397 -15.573 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.773 16.704 -16.923 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.127 15.759 -14.627 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.362 15.487 -17.601 1.00 0.00 C ATOM 0 H ILE A 9 -11.526 17.057 -12.953 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.774 18.080 -15.615 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.308 15.691 -15.736 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.559 17.445 -16.778 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.030 17.153 -17.582 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.527 14.852 -15.079 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.634 15.509 -13.687 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.941 16.458 -14.435 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.806 15.780 -18.552 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.576 14.753 -17.778 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.129 15.050 -16.962 1.00 0.00 H new ATOM 143 N SER A 10 -12.648 19.721 -15.662 1.00 0.00 N ATOM 144 CA SER A 10 -13.660 20.770 -15.623 1.00 0.00 C ATOM 145 C SER A 10 -14.188 21.069 -17.023 1.00 0.00 C ATOM 146 O SER A 10 -13.682 21.954 -17.712 1.00 0.00 O ATOM 147 CB SER A 10 -13.082 22.043 -15.001 1.00 0.00 C ATOM 148 OG SER A 10 -11.691 22.146 -15.250 1.00 0.00 O ATOM 0 H SER A 10 -11.948 19.837 -16.395 1.00 0.00 H new ATOM 0 HA SER A 10 -14.489 20.418 -15.009 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.593 22.915 -15.409 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.263 22.041 -13.926 1.00 0.00 H new ATOM 0 HG SER A 10 -11.404 23.074 -15.123 1.00 0.00 H new ATOM 154 N MET A 11 -15.208 20.324 -17.436 1.00 0.00 N ATOM 155 CA MET A 11 -15.805 20.509 -18.753 1.00 0.00 C ATOM 156 C MET A 11 -16.835 21.634 -18.729 1.00 0.00 C ATOM 157 O MET A 11 -17.655 21.718 -17.816 1.00 0.00 O ATOM 158 CB MET A 11 -16.462 19.211 -19.226 1.00 0.00 C ATOM 159 CG MET A 11 -16.563 19.098 -20.739 1.00 0.00 C ATOM 160 SD MET A 11 -17.409 17.596 -21.267 1.00 0.00 S ATOM 161 CE MET A 11 -19.121 18.100 -21.116 1.00 0.00 C ATOM 0 H MET A 11 -15.638 19.587 -16.878 1.00 0.00 H new ATOM 0 HA MET A 11 -15.012 20.781 -19.449 1.00 0.00 H new ATOM 0 HB2 MET A 11 -15.892 18.364 -18.844 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.462 19.142 -18.797 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.094 19.966 -21.130 1.00 0.00 H new ATOM 0 HG3 MET A 11 -15.561 19.117 -21.169 1.00 0.00 H new ATOM 0 HE1 MET A 11 -19.748 17.445 -21.721 1.00 0.00 H new ATOM 0 HE2 MET A 11 -19.429 18.034 -20.072 1.00 0.00 H new ATOM 0 HE3 MET A 11 -19.230 19.128 -21.462 1.00 0.00 H new ATOM 171 N ALA A 12 -16.785 22.497 -19.739 1.00 0.00 N ATOM 172 CA ALA A 12 -17.715 23.616 -19.834 1.00 0.00 C ATOM 173 C ALA A 12 -17.743 24.419 -18.538 1.00 0.00 C ATOM 174 O ALA A 12 -18.806 24.823 -18.069 1.00 0.00 O ATOM 175 CB ALA A 12 -19.111 23.115 -20.176 1.00 0.00 C ATOM 0 H ALA A 12 -16.111 22.443 -20.502 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.371 24.275 -20.632 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.795 23.961 -20.244 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.086 22.592 -21.132 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.454 22.433 -19.398 1.00 0.00 H new ATOM 181 N GLY A 13 -16.566 24.646 -17.963 1.00 0.00 N ATOM 182 CA GLY A 13 -16.478 25.399 -16.725 1.00 0.00 C ATOM 183 C GLY A 13 -17.390 24.850 -15.646 1.00 0.00 C ATOM 184 O GLY A 13 -18.064 25.609 -14.949 1.00 0.00 O ATOM 0 H GLY A 13 -15.672 24.322 -18.332 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.448 25.385 -16.368 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.735 26.441 -16.918 1.00 0.00 H new ATOM 188 N SER A 14 -17.414 23.528 -15.510 1.00 0.00 N ATOM 189 CA SER A 14 -18.256 22.878 -14.512 1.00 0.00 C ATOM 190 C SER A 14 -17.471 22.608 -13.232 1.00 0.00 C ATOM 191 O SER A 14 -17.636 21.565 -12.597 1.00 0.00 O ATOM 192 CB SER A 14 -18.820 21.568 -15.065 1.00 0.00 C ATOM 193 OG SER A 14 -19.820 21.814 -16.038 1.00 0.00 O ATOM 0 H SER A 14 -16.861 22.886 -16.078 1.00 0.00 H new ATOM 0 HA SER A 14 -19.082 23.549 -14.276 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.016 20.980 -15.506 1.00 0.00 H new ATOM 0 HB3 SER A 14 -19.238 20.976 -14.251 1.00 0.00 H new ATOM 0 HG SER A 14 -19.408 21.859 -16.926 1.00 0.00 H new ATOM 199 N HIS A 15 -16.615 23.554 -12.859 1.00 0.00 N ATOM 200 CA HIS A 15 -15.803 23.419 -11.655 1.00 0.00 C ATOM 201 C HIS A 15 -14.827 22.253 -11.785 1.00 0.00 C ATOM 202 O HIS A 15 -15.063 21.294 -12.520 1.00 0.00 O ATOM 203 CB HIS A 15 -16.698 23.215 -10.432 1.00 0.00 C ATOM 204 CG HIS A 15 -17.856 24.163 -10.372 1.00 0.00 C ATOM 205 ND1 HIS A 15 -19.075 23.899 -10.959 1.00 0.00 N ATOM 206 CD2 HIS A 15 -17.976 25.379 -9.790 1.00 0.00 C ATOM 207 CE1 HIS A 15 -19.895 24.912 -10.741 1.00 0.00 C ATOM 208 NE2 HIS A 15 -19.252 25.823 -10.034 1.00 0.00 N ATOM 0 H HIS A 15 -16.466 24.422 -13.373 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.230 24.337 -11.528 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -17.076 22.193 -10.435 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -16.098 23.330 -9.530 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -17.210 25.903 -9.237 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -20.917 24.983 -11.083 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -19.640 26.712 -9.720 1.00 0.00 H new ATOM 216 N PRO A 16 -13.704 22.337 -11.057 1.00 0.00 N ATOM 217 CA PRO A 16 -12.670 21.298 -11.074 1.00 0.00 C ATOM 218 C PRO A 16 -13.130 20.011 -10.398 1.00 0.00 C ATOM 219 O PRO A 16 -13.085 19.890 -9.173 1.00 0.00 O ATOM 220 CB PRO A 16 -11.517 21.931 -10.291 1.00 0.00 C ATOM 221 CG PRO A 16 -12.170 22.930 -9.399 1.00 0.00 C ATOM 222 CD PRO A 16 -13.358 23.452 -10.159 1.00 0.00 C ATOM 0 HA PRO A 16 -12.403 21.006 -12.090 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.971 21.183 -9.716 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.798 22.406 -10.959 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.479 22.471 -8.460 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.482 23.737 -9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.183 23.702 -9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.113 24.356 -10.716 1.00 0.00 H new ATOM 230 N THR A 17 -13.571 19.049 -11.203 1.00 0.00 N ATOM 231 CA THR A 17 -14.039 17.771 -10.682 1.00 0.00 C ATOM 232 C THR A 17 -12.870 16.879 -10.281 1.00 0.00 C ATOM 233 O THR A 17 -12.083 16.452 -11.126 1.00 0.00 O ATOM 234 CB THR A 17 -14.907 17.028 -11.715 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.067 17.806 -12.032 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.333 15.667 -11.185 1.00 0.00 C ATOM 0 H THR A 17 -13.614 19.131 -12.219 1.00 0.00 H new ATOM 0 HA THR A 17 -14.643 17.990 -9.801 1.00 0.00 H new ATOM 0 HB THR A 17 -14.312 16.880 -12.616 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.612 17.327 -12.691 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.945 15.161 -11.932 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.449 15.066 -10.973 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.911 15.797 -10.270 1.00 0.00 H new ATOM 244 N THR A 18 -12.762 16.600 -8.986 1.00 0.00 N ATOM 245 CA THR A 18 -11.688 15.759 -8.473 1.00 0.00 C ATOM 246 C THR A 18 -12.008 14.281 -8.665 1.00 0.00 C ATOM 247 O THR A 18 -12.857 13.724 -7.969 1.00 0.00 O ATOM 248 CB THR A 18 -11.431 16.026 -6.978 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.933 17.318 -6.618 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.944 15.948 -6.663 1.00 0.00 C ATOM 0 H THR A 18 -13.405 16.944 -8.273 1.00 0.00 H new ATOM 0 HA THR A 18 -10.791 16.011 -9.039 1.00 0.00 H new ATOM 0 HB THR A 18 -11.950 15.261 -6.400 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.767 17.480 -5.666 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.786 16.140 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.571 14.954 -6.911 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.408 16.694 -7.250 1.00 0.00 H new ATOM 258 N ILE A 19 -11.323 13.651 -9.614 1.00 0.00 N ATOM 259 CA ILE A 19 -11.534 12.236 -9.896 1.00 0.00 C ATOM 260 C ILE A 19 -10.317 11.409 -9.496 1.00 0.00 C ATOM 261 O ILE A 19 -9.315 11.375 -10.212 1.00 0.00 O ATOM 262 CB ILE A 19 -11.835 11.998 -11.387 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.888 12.992 -11.882 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.303 10.568 -11.612 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.231 12.831 -13.347 1.00 0.00 C ATOM 0 H ILE A 19 -10.618 14.098 -10.200 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.394 11.921 -9.306 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.919 12.154 -11.956 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.795 12.873 -11.290 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.527 14.006 -11.711 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.512 10.416 -12.671 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.524 9.876 -11.293 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.209 10.386 -11.034 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.983 13.568 -13.628 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.335 12.980 -13.949 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.623 11.829 -13.521 1.00 0.00 H new ATOM 277 N CYS A 20 -10.412 10.742 -8.352 1.00 0.00 N ATOM 278 CA CYS A 20 -9.319 9.912 -7.857 1.00 0.00 C ATOM 279 C CYS A 20 -9.310 8.554 -8.551 1.00 0.00 C ATOM 280 O CYS A 20 -10.228 7.752 -8.381 1.00 0.00 O ATOM 281 CB CYS A 20 -9.438 9.725 -6.344 1.00 0.00 C ATOM 282 SG CYS A 20 -9.720 11.259 -5.430 1.00 0.00 S ATOM 0 H CYS A 20 -11.235 10.759 -7.749 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.380 10.419 -8.080 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -10.257 9.036 -6.137 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.526 9.257 -5.974 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.809 10.997 -4.160 1.00 0.00 H new ATOM 288 N VAL A 21 -8.266 8.303 -9.335 1.00 0.00 N ATOM 289 CA VAL A 21 -8.137 7.042 -10.056 1.00 0.00 C ATOM 290 C VAL A 21 -6.791 6.384 -9.775 1.00 0.00 C ATOM 291 O VAL A 21 -5.757 7.051 -9.737 1.00 0.00 O ATOM 292 CB VAL A 21 -8.290 7.246 -11.575 1.00 0.00 C ATOM 293 CG1 VAL A 21 -8.287 5.907 -12.296 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.561 8.023 -11.882 1.00 0.00 C ATOM 0 H VAL A 21 -7.497 8.956 -9.487 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.937 6.391 -9.702 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.440 7.827 -11.934 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.396 6.071 -13.368 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.347 5.391 -12.102 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.116 5.298 -11.936 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.653 8.158 -12.960 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.424 7.471 -11.510 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.518 8.998 -11.396 1.00 0.00 H new ATOM 304 N VAL A 22 -6.811 5.069 -9.580 1.00 0.00 N ATOM 305 CA VAL A 22 -5.591 4.319 -9.304 1.00 0.00 C ATOM 306 C VAL A 22 -4.626 4.388 -10.482 1.00 0.00 C ATOM 307 O VAL A 22 -5.040 4.352 -11.640 1.00 0.00 O ATOM 308 CB VAL A 22 -5.899 2.842 -8.993 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.881 2.734 -7.836 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.439 2.139 -10.228 1.00 0.00 C ATOM 0 H VAL A 22 -7.658 4.501 -9.608 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.128 4.778 -8.431 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.972 2.350 -8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.087 1.684 -7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.451 3.200 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.810 3.241 -8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.651 1.097 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.356 2.630 -10.555 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.698 2.185 -11.026 1.00 0.00 H new ATOM 320 N MET A 23 -3.336 4.487 -10.178 1.00 0.00 N ATOM 321 CA MET A 23 -2.310 4.559 -11.213 1.00 0.00 C ATOM 322 C MET A 23 -2.402 3.362 -12.153 1.00 0.00 C ATOM 323 O MET A 23 -2.035 3.452 -13.325 1.00 0.00 O ATOM 324 CB MET A 23 -0.919 4.619 -10.579 1.00 0.00 C ATOM 325 CG MET A 23 0.203 4.781 -11.590 1.00 0.00 C ATOM 326 SD MET A 23 0.915 3.204 -12.098 1.00 0.00 S ATOM 327 CE MET A 23 1.156 3.489 -13.849 1.00 0.00 C ATOM 0 H MET A 23 -2.976 4.519 -9.224 1.00 0.00 H new ATOM 0 HA MET A 23 -2.476 5.467 -11.792 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.885 5.450 -9.875 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.751 3.708 -10.005 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.177 5.303 -12.468 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.986 5.407 -11.161 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.021 2.923 -14.194 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.270 3.166 -14.396 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.324 4.552 -14.025 1.00 0.00 H new ATOM 337 N ASP A 24 -2.894 2.243 -11.633 1.00 0.00 N ATOM 338 CA ASP A 24 -3.034 1.028 -12.427 1.00 0.00 C ATOM 339 C ASP A 24 -4.044 1.228 -13.553 1.00 0.00 C ATOM 340 O ASP A 24 -3.986 0.551 -14.580 1.00 0.00 O ATOM 341 CB ASP A 24 -3.466 -0.140 -11.539 1.00 0.00 C ATOM 342 CG ASP A 24 -2.312 -0.723 -10.747 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.467 -1.416 -11.352 1.00 0.00 O ATOM 344 OD2 ASP A 24 -2.254 -0.486 -9.522 1.00 0.00 O ATOM 0 H ASP A 24 -3.203 2.152 -10.665 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.065 0.799 -12.869 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.241 0.198 -10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.908 -0.920 -12.159 1.00 0.00 H new ATOM 349 N ARG A 25 -4.969 2.160 -13.352 1.00 0.00 N ATOM 350 CA ARG A 25 -5.994 2.448 -14.349 1.00 0.00 C ATOM 351 C ARG A 25 -5.942 3.912 -14.774 1.00 0.00 C ATOM 352 O ARG A 25 -6.876 4.423 -15.393 1.00 0.00 O ATOM 353 CB ARG A 25 -7.381 2.114 -13.796 1.00 0.00 C ATOM 354 CG ARG A 25 -7.619 0.625 -13.608 1.00 0.00 C ATOM 355 CD ARG A 25 -8.226 -0.004 -14.852 1.00 0.00 C ATOM 356 NE ARG A 25 -8.462 -1.435 -14.682 1.00 0.00 N ATOM 357 CZ ARG A 25 -9.494 -1.936 -14.013 1.00 0.00 C ATOM 358 NH1 ARG A 25 -10.382 -1.125 -13.454 1.00 0.00 N ATOM 359 NH2 ARG A 25 -9.641 -3.250 -13.902 1.00 0.00 N ATOM 0 H ARG A 25 -5.030 2.729 -12.508 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.800 1.827 -15.224 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.512 2.618 -12.838 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.138 2.512 -14.472 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.676 0.132 -13.373 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.283 0.466 -12.758 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.167 0.493 -15.087 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.560 0.155 -15.700 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.797 -2.086 -15.100 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.273 -0.114 -13.537 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.174 -1.512 -12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.961 -3.877 -14.331 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.434 -3.633 -13.388 1.00 0.00 H new ATOM 373 N PHE A 26 -4.845 4.583 -14.438 1.00 0.00 N ATOM 374 CA PHE A 26 -4.673 5.989 -14.783 1.00 0.00 C ATOM 375 C PHE A 26 -4.639 6.177 -16.297 1.00 0.00 C ATOM 376 O PHE A 26 -5.432 6.934 -16.858 1.00 0.00 O ATOM 377 CB PHE A 26 -3.385 6.534 -14.162 1.00 0.00 C ATOM 378 CG PHE A 26 -2.980 7.876 -14.703 1.00 0.00 C ATOM 379 CD1 PHE A 26 -3.894 8.914 -14.775 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.684 8.098 -15.140 1.00 0.00 C ATOM 381 CE1 PHE A 26 -3.524 10.149 -15.272 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.308 9.331 -15.637 1.00 0.00 C ATOM 383 CZ PHE A 26 -2.229 10.358 -15.705 1.00 0.00 C ATOM 0 H PHE A 26 -4.062 4.175 -13.927 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.524 6.542 -14.384 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.516 6.611 -13.083 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.578 5.822 -14.336 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.908 8.756 -14.439 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.960 7.298 -15.092 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.247 10.950 -15.322 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.294 9.492 -15.972 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.938 11.322 -16.096 1.00 0.00 H new ATOM 393 N LEU A 27 -3.715 5.483 -16.953 1.00 0.00 N ATOM 394 CA LEU A 27 -3.576 5.572 -18.402 1.00 0.00 C ATOM 395 C LEU A 27 -4.890 5.232 -19.097 1.00 0.00 C ATOM 396 O LEU A 27 -5.294 5.905 -20.045 1.00 0.00 O ATOM 397 CB LEU A 27 -2.471 4.632 -18.887 1.00 0.00 C ATOM 398 CG LEU A 27 -2.206 4.628 -20.393 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.236 6.046 -20.944 1.00 0.00 C ATOM 400 CD2 LEU A 27 -0.872 3.963 -20.698 1.00 0.00 C ATOM 0 H LEU A 27 -3.051 4.852 -16.504 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.308 6.598 -18.654 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.545 4.898 -18.376 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.724 3.617 -18.580 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.995 4.054 -20.880 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.045 6.024 -22.017 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.215 6.488 -20.759 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.469 6.644 -20.452 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.700 3.969 -21.774 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.071 4.509 -20.199 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.888 2.934 -20.339 1.00 0.00 H new ATOM 412 N GLU A 28 -5.553 4.184 -18.618 1.00 0.00 N ATOM 413 CA GLU A 28 -6.823 3.756 -19.193 1.00 0.00 C ATOM 414 C GLU A 28 -7.864 4.868 -19.103 1.00 0.00 C ATOM 415 O GLU A 28 -8.540 5.180 -20.083 1.00 0.00 O ATOM 416 CB GLU A 28 -7.336 2.504 -18.478 1.00 0.00 C ATOM 417 CG GLU A 28 -8.357 1.718 -19.284 1.00 0.00 C ATOM 418 CD GLU A 28 -7.716 0.851 -20.351 1.00 0.00 C ATOM 419 OE1 GLU A 28 -6.520 1.058 -20.643 1.00 0.00 O ATOM 420 OE2 GLU A 28 -8.411 -0.034 -20.893 1.00 0.00 O ATOM 0 H GLU A 28 -5.232 3.616 -17.834 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.656 3.523 -20.245 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.491 1.856 -18.247 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.783 2.796 -17.528 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.939 1.088 -18.611 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.054 2.411 -19.755 1.00 0.00 H new ATOM 427 N SER A 29 -7.986 5.462 -17.921 1.00 0.00 N ATOM 428 CA SER A 29 -8.946 6.537 -17.700 1.00 0.00 C ATOM 429 C SER A 29 -8.691 7.698 -18.657 1.00 0.00 C ATOM 430 O SER A 29 -9.622 8.248 -19.246 1.00 0.00 O ATOM 431 CB SER A 29 -8.871 7.028 -16.253 1.00 0.00 C ATOM 432 OG SER A 29 -7.785 7.920 -16.073 1.00 0.00 O ATOM 0 H SER A 29 -7.432 5.217 -17.101 1.00 0.00 H new ATOM 0 HA SER A 29 -9.944 6.144 -17.891 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.803 7.526 -15.986 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.761 6.176 -15.582 1.00 0.00 H new ATOM 0 HG SER A 29 -6.944 7.418 -16.085 1.00 0.00 H new ATOM 438 N PHE A 30 -7.423 8.065 -18.807 1.00 0.00 N ATOM 439 CA PHE A 30 -7.044 9.161 -19.691 1.00 0.00 C ATOM 440 C PHE A 30 -7.417 8.848 -21.137 1.00 0.00 C ATOM 441 O PHE A 30 -7.929 9.705 -21.857 1.00 0.00 O ATOM 442 CB PHE A 30 -5.542 9.432 -19.588 1.00 0.00 C ATOM 443 CG PHE A 30 -5.135 10.771 -20.131 1.00 0.00 C ATOM 444 CD1 PHE A 30 -5.259 11.052 -21.482 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.629 11.750 -19.291 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.885 12.284 -21.985 1.00 0.00 C ATOM 447 CE2 PHE A 30 -4.253 12.984 -19.788 1.00 0.00 C ATOM 448 CZ PHE A 30 -4.382 13.252 -21.137 1.00 0.00 C ATOM 0 H PHE A 30 -6.640 7.620 -18.328 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.589 10.051 -19.378 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.240 9.366 -18.543 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.003 8.652 -20.125 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.652 10.300 -22.150 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.527 11.547 -18.235 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.986 12.490 -23.040 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.859 13.738 -19.122 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.090 14.216 -21.528 1.00 0.00 H new ATOM 458 N SER A 31 -7.157 7.613 -21.555 1.00 0.00 N ATOM 459 CA SER A 31 -7.461 7.186 -22.916 1.00 0.00 C ATOM 460 C SER A 31 -8.952 7.324 -23.208 1.00 0.00 C ATOM 461 O SER A 31 -9.346 7.908 -24.216 1.00 0.00 O ATOM 462 CB SER A 31 -7.019 5.737 -23.129 1.00 0.00 C ATOM 463 OG SER A 31 -7.403 5.271 -24.411 1.00 0.00 O ATOM 0 H SER A 31 -6.736 6.891 -20.971 1.00 0.00 H new ATOM 0 HA SER A 31 -6.913 7.830 -23.604 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.937 5.664 -23.021 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.460 5.102 -22.360 1.00 0.00 H new ATOM 0 HG SER A 31 -7.108 4.343 -24.524 1.00 0.00 H new ATOM 469 N GLU A 32 -9.776 6.780 -22.316 1.00 0.00 N ATOM 470 CA GLU A 32 -11.224 6.841 -22.479 1.00 0.00 C ATOM 471 C GLU A 32 -11.725 8.277 -22.352 1.00 0.00 C ATOM 472 O GLU A 32 -12.573 8.721 -23.127 1.00 0.00 O ATOM 473 CB GLU A 32 -11.913 5.955 -21.440 1.00 0.00 C ATOM 474 CG GLU A 32 -11.873 4.474 -21.780 1.00 0.00 C ATOM 475 CD GLU A 32 -12.609 4.151 -23.066 1.00 0.00 C ATOM 476 OE1 GLU A 32 -13.363 5.019 -23.553 1.00 0.00 O ATOM 477 OE2 GLU A 32 -12.431 3.030 -23.585 1.00 0.00 O ATOM 0 H GLU A 32 -9.466 6.293 -21.475 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.468 6.476 -23.477 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.438 6.110 -20.471 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.952 6.268 -21.340 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.835 4.153 -21.869 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.313 3.905 -20.961 1.00 0.00 H new ATOM 484 N LEU A 33 -11.197 8.997 -21.369 1.00 0.00 N ATOM 485 CA LEU A 33 -11.591 10.383 -21.138 1.00 0.00 C ATOM 486 C LEU A 33 -11.434 11.212 -22.409 1.00 0.00 C ATOM 487 O LEU A 33 -12.298 12.023 -22.743 1.00 0.00 O ATOM 488 CB LEU A 33 -10.753 10.991 -20.013 1.00 0.00 C ATOM 489 CG LEU A 33 -11.026 12.461 -19.692 1.00 0.00 C ATOM 490 CD1 LEU A 33 -11.903 12.584 -18.455 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.719 13.217 -19.499 1.00 0.00 C ATOM 0 H LEU A 33 -10.495 8.644 -20.719 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.641 10.393 -20.847 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.917 10.406 -19.108 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.700 10.886 -20.274 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.558 12.904 -20.534 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.086 13.637 -18.242 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.853 12.079 -18.631 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.399 12.124 -17.605 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.933 14.261 -19.271 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.160 12.773 -18.675 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.127 13.159 -20.412 1.00 0.00 H new ATOM 503 N TYR A 34 -10.329 11.000 -23.115 1.00 0.00 N ATOM 504 CA TYR A 34 -10.059 11.728 -24.349 1.00 0.00 C ATOM 505 C TYR A 34 -11.064 11.353 -25.434 1.00 0.00 C ATOM 506 O TYR A 34 -11.262 12.094 -26.396 1.00 0.00 O ATOM 507 CB TYR A 34 -8.637 11.440 -24.835 1.00 0.00 C ATOM 508 CG TYR A 34 -8.385 11.877 -26.260 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.290 13.223 -26.589 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.241 10.942 -27.279 1.00 0.00 C ATOM 511 CE1 TYR A 34 -8.060 13.627 -27.890 1.00 0.00 C ATOM 512 CE2 TYR A 34 -8.009 11.336 -28.582 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.920 12.680 -28.883 1.00 0.00 C ATOM 514 OH TYR A 34 -7.691 13.076 -30.180 1.00 0.00 O ATOM 0 H TYR A 34 -9.606 10.330 -22.854 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.157 12.793 -24.141 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.928 11.944 -24.178 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.443 10.371 -24.752 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.398 13.967 -25.814 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.312 9.889 -27.047 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.990 14.678 -28.128 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.898 10.597 -29.361 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.616 12.286 -30.755 1.00 0.00 H new ATOM 524 N ASP A 35 -11.697 10.196 -25.270 1.00 0.00 N ATOM 525 CA ASP A 35 -12.684 9.721 -26.232 1.00 0.00 C ATOM 526 C ASP A 35 -14.056 10.327 -25.949 1.00 0.00 C ATOM 527 O ASP A 35 -14.860 10.521 -26.861 1.00 0.00 O ATOM 528 CB ASP A 35 -12.770 8.195 -26.197 1.00 0.00 C ATOM 529 CG ASP A 35 -12.439 7.565 -27.535 1.00 0.00 C ATOM 530 OD1 ASP A 35 -12.830 8.138 -28.574 1.00 0.00 O ATOM 531 OD2 ASP A 35 -11.788 6.499 -27.544 1.00 0.00 O ATOM 0 H ASP A 35 -11.544 9.570 -24.479 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.366 10.036 -27.226 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.085 7.813 -25.440 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.775 7.898 -25.897 1.00 0.00 H new ATOM 536 N ILE A 36 -14.315 10.621 -24.679 1.00 0.00 N ATOM 537 CA ILE A 36 -15.589 11.204 -24.276 1.00 0.00 C ATOM 538 C ILE A 36 -15.525 12.728 -24.289 1.00 0.00 C ATOM 539 O ILE A 36 -16.521 13.398 -24.563 1.00 0.00 O ATOM 540 CB ILE A 36 -16.005 10.731 -22.871 1.00 0.00 C ATOM 541 CG1 ILE A 36 -17.248 11.489 -22.401 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.859 10.922 -21.887 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.772 11.019 -21.062 1.00 0.00 C ATOM 0 H ILE A 36 -13.660 10.465 -23.912 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.333 10.868 -24.999 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.246 9.669 -22.918 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.013 12.552 -22.338 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.034 11.380 -23.148 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.168 10.583 -20.898 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.997 10.342 -22.216 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.591 11.977 -21.841 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.654 11.600 -20.792 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -18.039 9.964 -21.126 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.002 11.154 -20.302 1.00 0.00 H new ATOM 555 N ILE A 37 -14.347 13.267 -23.994 1.00 0.00 N ATOM 556 CA ILE A 37 -14.153 14.712 -23.975 1.00 0.00 C ATOM 557 C ILE A 37 -14.431 15.322 -25.344 1.00 0.00 C ATOM 558 O ILE A 37 -14.800 16.492 -25.451 1.00 0.00 O ATOM 559 CB ILE A 37 -12.722 15.082 -23.542 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.647 16.562 -23.161 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.734 14.765 -24.654 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.814 16.813 -21.678 1.00 0.00 C ATOM 0 H ILE A 37 -13.513 12.726 -23.765 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.859 15.116 -23.250 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.458 14.488 -22.667 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.686 16.964 -23.483 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.419 17.108 -23.703 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.727 15.032 -24.333 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.772 13.700 -24.882 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.994 15.336 -25.545 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.750 17.883 -21.481 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.786 16.442 -21.353 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.027 16.295 -21.130 1.00 0.00 H new ATOM 574 N ASP A 38 -14.255 14.522 -26.390 1.00 0.00 N ATOM 575 CA ASP A 38 -14.490 14.981 -27.753 1.00 0.00 C ATOM 576 C ASP A 38 -15.910 15.514 -27.910 1.00 0.00 C ATOM 577 O ASP A 38 -16.171 16.377 -28.747 1.00 0.00 O ATOM 578 CB ASP A 38 -14.245 13.845 -28.747 1.00 0.00 C ATOM 579 CG ASP A 38 -13.857 14.351 -30.122 1.00 0.00 C ATOM 580 OD1 ASP A 38 -14.347 15.429 -30.517 1.00 0.00 O ATOM 581 OD2 ASP A 38 -13.062 13.669 -30.803 1.00 0.00 O ATOM 0 H ASP A 38 -13.950 13.551 -26.319 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.792 15.792 -27.962 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.456 13.197 -28.366 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.146 13.237 -28.828 1.00 0.00 H new ATOM 586 N GLU A 39 -16.826 14.992 -27.099 1.00 0.00 N ATOM 587 CA GLU A 39 -18.220 15.414 -27.150 1.00 0.00 C ATOM 588 C GLU A 39 -18.545 16.358 -25.996 1.00 0.00 C ATOM 589 O GLU A 39 -17.686 16.665 -25.170 1.00 0.00 O ATOM 590 CB GLU A 39 -19.147 14.197 -27.105 1.00 0.00 C ATOM 591 CG GLU A 39 -18.957 13.244 -28.272 1.00 0.00 C ATOM 592 CD GLU A 39 -20.188 12.403 -28.545 1.00 0.00 C ATOM 593 OE1 GLU A 39 -21.147 12.931 -29.146 1.00 0.00 O ATOM 594 OE2 GLU A 39 -20.193 11.215 -28.157 1.00 0.00 O ATOM 0 H GLU A 39 -16.627 14.277 -26.400 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.378 15.947 -28.088 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.978 13.656 -26.174 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -20.182 14.539 -27.091 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.707 13.816 -29.166 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.112 12.588 -28.066 1.00 0.00 H new ATOM 601 N ASN A 40 -19.793 16.815 -25.946 1.00 0.00 N ATOM 602 CA ASN A 40 -20.232 17.725 -24.895 1.00 0.00 C ATOM 603 C ASN A 40 -21.158 17.014 -23.912 1.00 0.00 C ATOM 604 O ASN A 40 -22.115 17.602 -23.409 1.00 0.00 O ATOM 605 CB ASN A 40 -20.947 18.933 -25.503 1.00 0.00 C ATOM 606 CG ASN A 40 -21.848 18.550 -26.660 1.00 0.00 C ATOM 607 OD1 ASN A 40 -22.739 17.712 -26.516 1.00 0.00 O ATOM 608 ND2 ASN A 40 -21.621 19.162 -27.816 1.00 0.00 N ATOM 0 H ASN A 40 -20.517 16.570 -26.621 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.350 18.068 -24.354 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.540 19.426 -24.733 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.206 19.655 -25.847 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -22.196 18.944 -28.630 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -20.872 19.850 -27.890 1.00 0.00 H new ATOM 615 N ASP A 41 -20.864 15.747 -23.642 1.00 0.00 N ATOM 616 CA ASP A 41 -21.668 14.955 -22.719 1.00 0.00 C ATOM 617 C ASP A 41 -21.557 15.499 -21.298 1.00 0.00 C ATOM 618 O ASP A 41 -20.589 15.220 -20.588 1.00 0.00 O ATOM 619 CB ASP A 41 -21.230 13.491 -22.753 1.00 0.00 C ATOM 620 CG ASP A 41 -21.514 12.833 -24.090 1.00 0.00 C ATOM 621 OD1 ASP A 41 -22.543 13.170 -24.710 1.00 0.00 O ATOM 622 OD2 ASP A 41 -20.706 11.980 -24.515 1.00 0.00 O ATOM 0 H ASP A 41 -20.074 15.246 -24.050 1.00 0.00 H new ATOM 0 HA ASP A 41 -22.709 15.021 -23.035 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -20.163 13.429 -22.540 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -21.745 12.942 -21.964 1.00 0.00 H new ATOM 627 N THR A 42 -22.553 16.279 -20.888 1.00 0.00 N ATOM 628 CA THR A 42 -22.565 16.864 -19.553 1.00 0.00 C ATOM 629 C THR A 42 -23.149 15.893 -18.533 1.00 0.00 C ATOM 630 O THR A 42 -22.792 15.927 -17.355 1.00 0.00 O ATOM 631 CB THR A 42 -23.376 18.173 -19.521 1.00 0.00 C ATOM 632 OG1 THR A 42 -23.142 18.924 -20.718 1.00 0.00 O ATOM 633 CG2 THR A 42 -23.002 19.012 -18.309 1.00 0.00 C ATOM 0 H THR A 42 -23.361 16.520 -21.461 1.00 0.00 H new ATOM 0 HA THR A 42 -21.529 17.081 -19.293 1.00 0.00 H new ATOM 0 HB THR A 42 -24.433 17.917 -19.454 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.663 19.754 -20.691 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.588 19.931 -18.308 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.209 18.449 -17.399 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.941 19.258 -18.350 1.00 0.00 H new ATOM 641 N ASP A 43 -24.047 15.029 -18.992 1.00 0.00 N ATOM 642 CA ASP A 43 -24.679 14.046 -18.119 1.00 0.00 C ATOM 643 C ASP A 43 -23.763 12.847 -17.898 1.00 0.00 C ATOM 644 O ASP A 43 -23.609 12.368 -16.774 1.00 0.00 O ATOM 645 CB ASP A 43 -26.010 13.585 -18.715 1.00 0.00 C ATOM 646 CG ASP A 43 -26.696 12.539 -17.858 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.114 12.877 -16.731 1.00 0.00 O ATOM 648 OD2 ASP A 43 -26.813 11.382 -18.313 1.00 0.00 O ATOM 0 H ASP A 43 -24.354 14.989 -19.964 1.00 0.00 H new ATOM 0 HA ASP A 43 -24.866 14.519 -17.155 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.670 14.445 -18.832 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.837 13.178 -19.711 1.00 0.00 H new ATOM 653 N VAL A 44 -23.157 12.364 -18.978 1.00 0.00 N ATOM 654 CA VAL A 44 -22.256 11.220 -18.903 1.00 0.00 C ATOM 655 C VAL A 44 -21.085 11.504 -17.968 1.00 0.00 C ATOM 656 O VAL A 44 -20.440 10.582 -17.469 1.00 0.00 O ATOM 657 CB VAL A 44 -21.709 10.844 -20.292 1.00 0.00 C ATOM 658 CG1 VAL A 44 -20.882 9.569 -20.214 1.00 0.00 C ATOM 659 CG2 VAL A 44 -22.849 10.689 -21.288 1.00 0.00 C ATOM 0 H VAL A 44 -23.274 12.748 -19.916 1.00 0.00 H new ATOM 0 HA VAL A 44 -22.837 10.385 -18.511 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.060 11.649 -20.638 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.504 9.319 -21.205 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.044 9.720 -19.533 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -21.505 8.753 -19.847 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -22.445 10.423 -22.265 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -23.524 9.904 -20.949 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -23.395 11.629 -21.365 1.00 0.00 H new ATOM 669 N MET A 45 -20.817 12.784 -17.736 1.00 0.00 N ATOM 670 CA MET A 45 -19.725 13.189 -16.859 1.00 0.00 C ATOM 671 C MET A 45 -19.833 12.501 -15.502 1.00 0.00 C ATOM 672 O MET A 45 -18.877 11.888 -15.028 1.00 0.00 O ATOM 673 CB MET A 45 -19.725 14.708 -16.675 1.00 0.00 C ATOM 674 CG MET A 45 -18.854 15.442 -17.681 1.00 0.00 C ATOM 675 SD MET A 45 -18.136 16.952 -17.007 1.00 0.00 S ATOM 676 CE MET A 45 -16.904 16.275 -15.897 1.00 0.00 C ATOM 0 H MET A 45 -21.341 13.559 -18.143 1.00 0.00 H new ATOM 0 HA MET A 45 -18.787 12.887 -17.326 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.748 15.076 -16.756 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.380 14.944 -15.668 1.00 0.00 H new ATOM 0 HG2 MET A 45 -18.054 14.781 -18.013 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.450 15.688 -18.560 1.00 0.00 H new ATOM 0 HE1 MET A 45 -17.026 16.715 -14.907 1.00 0.00 H new ATOM 0 HE2 MET A 45 -17.028 15.194 -15.832 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.908 16.504 -16.276 1.00 0.00 H new ATOM 686 N MET A 46 -21.004 12.607 -14.881 1.00 0.00 N ATOM 687 CA MET A 46 -21.236 11.994 -13.579 1.00 0.00 C ATOM 688 C MET A 46 -20.973 10.492 -13.630 1.00 0.00 C ATOM 689 O MET A 46 -20.141 9.973 -12.887 1.00 0.00 O ATOM 690 CB MET A 46 -22.670 12.257 -13.116 1.00 0.00 C ATOM 691 CG MET A 46 -23.026 11.561 -11.812 1.00 0.00 C ATOM 692 SD MET A 46 -24.419 12.335 -10.969 1.00 0.00 S ATOM 693 CE MET A 46 -25.795 11.484 -11.738 1.00 0.00 C ATOM 0 H MET A 46 -21.806 13.111 -15.259 1.00 0.00 H new ATOM 0 HA MET A 46 -20.544 12.442 -12.866 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.813 13.331 -12.996 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.360 11.929 -13.893 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.264 10.517 -12.015 1.00 0.00 H new ATOM 0 HG3 MET A 46 -22.158 11.568 -11.153 1.00 0.00 H new ATOM 0 HE1 MET A 46 -26.731 11.854 -11.320 1.00 0.00 H new ATOM 0 HE2 MET A 46 -25.780 11.666 -12.813 1.00 0.00 H new ATOM 0 HE3 MET A 46 -25.712 10.414 -11.550 1.00 0.00 H new ATOM 703 N ASP A 47 -21.688 9.801 -14.511 1.00 0.00 N ATOM 704 CA ASP A 47 -21.531 8.359 -14.660 1.00 0.00 C ATOM 705 C ASP A 47 -20.070 7.993 -14.901 1.00 0.00 C ATOM 706 O ASP A 47 -19.598 6.949 -14.451 1.00 0.00 O ATOM 707 CB ASP A 47 -22.395 7.847 -15.814 1.00 0.00 C ATOM 708 CG ASP A 47 -21.980 6.464 -16.278 1.00 0.00 C ATOM 709 OD1 ASP A 47 -21.938 5.543 -15.436 1.00 0.00 O ATOM 710 OD2 ASP A 47 -21.697 6.304 -17.484 1.00 0.00 O ATOM 0 H ASP A 47 -22.382 10.216 -15.133 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.857 7.885 -13.734 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.439 7.824 -15.500 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -22.329 8.543 -16.650 1.00 0.00 H new ATOM 715 N PHE A 48 -19.358 8.859 -15.615 1.00 0.00 N ATOM 716 CA PHE A 48 -17.951 8.627 -15.917 1.00 0.00 C ATOM 717 C PHE A 48 -17.102 8.708 -14.652 1.00 0.00 C ATOM 718 O PHE A 48 -16.266 7.841 -14.397 1.00 0.00 O ATOM 719 CB PHE A 48 -17.453 9.645 -16.945 1.00 0.00 C ATOM 720 CG PHE A 48 -15.961 9.642 -17.119 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.346 8.695 -17.921 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.174 10.585 -16.479 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.973 8.689 -18.083 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.801 10.585 -16.638 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.200 9.635 -17.440 1.00 0.00 C ATOM 0 H PHE A 48 -19.733 9.728 -15.995 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.856 7.624 -16.333 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.923 9.438 -17.906 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.773 10.642 -16.642 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.946 7.952 -18.426 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.638 11.329 -15.849 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.506 7.945 -18.712 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.199 11.327 -16.135 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.127 9.632 -17.564 1.00 0.00 H new ATOM 735 N ILE A 49 -17.322 9.755 -13.865 1.00 0.00 N ATOM 736 CA ILE A 49 -16.578 9.949 -12.627 1.00 0.00 C ATOM 737 C ILE A 49 -16.807 8.792 -11.661 1.00 0.00 C ATOM 738 O ILE A 49 -15.876 8.324 -11.005 1.00 0.00 O ATOM 739 CB ILE A 49 -16.973 11.267 -11.934 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.695 12.456 -12.855 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.221 11.420 -10.620 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.724 13.559 -12.746 1.00 0.00 C ATOM 0 H ILE A 49 -18.009 10.482 -14.063 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.523 9.991 -12.896 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.041 11.241 -11.718 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.711 12.864 -12.622 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.658 12.105 -13.886 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.510 12.356 -10.142 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.465 10.586 -9.962 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.148 11.428 -10.813 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.463 14.369 -13.427 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.707 13.167 -13.008 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.745 13.937 -11.724 1.00 0.00 H new ATOM 754 N SER A 50 -18.051 8.332 -11.580 1.00 0.00 N ATOM 755 CA SER A 50 -18.403 7.230 -10.692 1.00 0.00 C ATOM 756 C SER A 50 -17.963 5.895 -11.284 1.00 0.00 C ATOM 757 O SER A 50 -17.696 4.938 -10.556 1.00 0.00 O ATOM 758 CB SER A 50 -19.912 7.215 -10.436 1.00 0.00 C ATOM 759 OG SER A 50 -20.218 6.532 -9.233 1.00 0.00 O ATOM 0 H SER A 50 -18.833 8.705 -12.119 1.00 0.00 H new ATOM 0 HA SER A 50 -17.883 7.378 -9.746 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.285 8.238 -10.382 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.421 6.733 -11.271 1.00 0.00 H new ATOM 0 HG SER A 50 -21.188 6.538 -9.091 1.00 0.00 H new ATOM 765 N ARG A 51 -17.891 5.837 -12.610 1.00 0.00 N ATOM 766 CA ARG A 51 -17.484 4.620 -13.301 1.00 0.00 C ATOM 767 C ARG A 51 -16.007 4.323 -13.057 1.00 0.00 C ATOM 768 O ARG A 51 -15.636 3.198 -12.724 1.00 0.00 O ATOM 769 CB ARG A 51 -17.749 4.747 -14.802 1.00 0.00 C ATOM 770 CG ARG A 51 -19.100 4.199 -15.232 1.00 0.00 C ATOM 771 CD ARG A 51 -19.402 4.537 -16.683 1.00 0.00 C ATOM 772 NE ARG A 51 -18.585 3.757 -17.609 1.00 0.00 N ATOM 773 CZ ARG A 51 -18.736 3.788 -18.928 1.00 0.00 C ATOM 774 NH1 ARG A 51 -19.668 4.556 -19.474 1.00 0.00 N ATOM 775 NH2 ARG A 51 -17.953 3.049 -19.704 1.00 0.00 N ATOM 0 H ARG A 51 -18.109 6.619 -13.227 1.00 0.00 H new ATOM 0 HA ARG A 51 -18.073 3.793 -12.904 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -17.686 5.798 -15.086 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.964 4.222 -15.346 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -19.114 3.117 -15.099 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -19.881 4.609 -14.592 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -20.457 4.352 -16.886 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -19.227 5.599 -16.852 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.858 3.155 -17.221 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -20.272 5.125 -18.881 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -19.782 4.578 -20.487 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.235 2.457 -19.287 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.070 3.073 -20.717 1.00 0.00 H new ATOM 789 N PHE A 52 -15.169 5.340 -13.227 1.00 0.00 N ATOM 790 CA PHE A 52 -13.733 5.188 -13.027 1.00 0.00 C ATOM 791 C PHE A 52 -13.363 5.397 -11.561 1.00 0.00 C ATOM 792 O PHE A 52 -12.682 4.567 -10.958 1.00 0.00 O ATOM 793 CB PHE A 52 -12.967 6.181 -13.904 1.00 0.00 C ATOM 794 CG PHE A 52 -12.655 5.653 -15.275 1.00 0.00 C ATOM 795 CD1 PHE A 52 -11.612 4.761 -15.468 1.00 0.00 C ATOM 796 CD2 PHE A 52 -13.405 6.048 -16.371 1.00 0.00 C ATOM 797 CE1 PHE A 52 -11.323 4.275 -16.728 1.00 0.00 C ATOM 798 CE2 PHE A 52 -13.120 5.564 -17.634 1.00 0.00 C ATOM 799 CZ PHE A 52 -12.078 4.675 -17.813 1.00 0.00 C ATOM 0 H PHE A 52 -15.460 6.278 -13.503 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.457 4.173 -13.312 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.552 7.095 -14.000 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.035 6.450 -13.406 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.019 4.442 -14.624 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.222 6.742 -16.237 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.506 3.582 -16.865 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.712 5.881 -18.480 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.854 4.294 -18.798 1.00 0.00 H new ATOM 809 N ALA A 53 -13.815 6.511 -10.995 1.00 0.00 N ATOM 810 CA ALA A 53 -13.534 6.828 -9.601 1.00 0.00 C ATOM 811 C ALA A 53 -14.591 6.231 -8.678 1.00 0.00 C ATOM 812 O ALA A 53 -15.676 5.857 -9.122 1.00 0.00 O ATOM 813 CB ALA A 53 -13.453 8.335 -9.408 1.00 0.00 C ATOM 0 H ALA A 53 -14.378 7.209 -11.481 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.572 6.387 -9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.243 8.557 -8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.656 8.739 -10.032 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.402 8.790 -9.692 1.00 0.00 H new ATOM 819 N ARG A 54 -14.266 6.145 -7.392 1.00 0.00 N ATOM 820 CA ARG A 54 -15.188 5.592 -6.407 1.00 0.00 C ATOM 821 C ARG A 54 -15.482 4.124 -6.702 1.00 0.00 C ATOM 822 O ARG A 54 -16.640 3.724 -6.827 1.00 0.00 O ATOM 823 CB ARG A 54 -16.492 6.391 -6.391 1.00 0.00 C ATOM 824 CG ARG A 54 -17.227 6.331 -5.062 1.00 0.00 C ATOM 825 CD ARG A 54 -18.695 6.696 -5.220 1.00 0.00 C ATOM 826 NE ARG A 54 -19.377 6.792 -3.933 1.00 0.00 N ATOM 827 CZ ARG A 54 -20.674 7.049 -3.805 1.00 0.00 C ATOM 828 NH1 ARG A 54 -21.425 7.234 -4.882 1.00 0.00 N ATOM 829 NH2 ARG A 54 -21.222 7.121 -2.599 1.00 0.00 N ATOM 0 H ARG A 54 -13.372 6.451 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.716 5.661 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -16.273 7.432 -6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -17.148 6.016 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -17.143 5.328 -4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -16.756 7.012 -4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -18.777 7.647 -5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -19.190 5.947 -5.838 1.00 0.00 H new ATOM 0 HE ARG A 54 -18.827 6.654 -3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -21.007 7.179 -5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -22.421 7.431 -4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -20.647 6.979 -1.768 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -22.218 7.318 -2.502 1.00 0.00 H new ATOM 843 N THR A 55 -14.426 3.324 -6.812 1.00 0.00 N ATOM 844 CA THR A 55 -14.570 1.902 -7.095 1.00 0.00 C ATOM 845 C THR A 55 -14.114 1.057 -5.910 1.00 0.00 C ATOM 846 O THR A 55 -14.553 -0.081 -5.741 1.00 0.00 O ATOM 847 CB THR A 55 -13.766 1.492 -8.343 1.00 0.00 C ATOM 848 OG1 THR A 55 -12.367 1.473 -8.039 1.00 0.00 O ATOM 849 CG2 THR A 55 -14.027 2.452 -9.494 1.00 0.00 C ATOM 0 H THR A 55 -13.461 3.638 -6.709 1.00 0.00 H new ATOM 0 HA THR A 55 -15.629 1.723 -7.280 1.00 0.00 H new ATOM 0 HB THR A 55 -14.086 0.494 -8.643 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.862 1.210 -8.837 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.448 2.142 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.088 2.443 -9.742 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.731 3.460 -9.202 1.00 0.00 H new ATOM 857 N ASP A 56 -13.231 1.621 -5.093 1.00 0.00 N ATOM 858 CA ASP A 56 -12.717 0.920 -3.922 1.00 0.00 C ATOM 859 C ASP A 56 -12.558 1.874 -2.743 1.00 0.00 C ATOM 860 O ASP A 56 -12.841 3.067 -2.856 1.00 0.00 O ATOM 861 CB ASP A 56 -11.375 0.260 -4.245 1.00 0.00 C ATOM 862 CG ASP A 56 -11.535 -1.157 -4.758 1.00 0.00 C ATOM 863 OD1 ASP A 56 -12.465 -1.853 -4.298 1.00 0.00 O ATOM 864 OD2 ASP A 56 -10.730 -1.572 -5.618 1.00 0.00 O ATOM 0 H ASP A 56 -12.856 2.561 -5.220 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.436 0.148 -3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.851 0.856 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.753 0.251 -3.350 1.00 0.00 H new ATOM 869 N GLU A 57 -12.105 1.341 -1.613 1.00 0.00 N ATOM 870 CA GLU A 57 -11.911 2.146 -0.413 1.00 0.00 C ATOM 871 C GLU A 57 -10.509 2.749 -0.383 1.00 0.00 C ATOM 872 O GLU A 57 -9.570 2.192 -0.954 1.00 0.00 O ATOM 873 CB GLU A 57 -12.140 1.299 0.840 1.00 0.00 C ATOM 874 CG GLU A 57 -11.075 0.238 1.060 1.00 0.00 C ATOM 875 CD GLU A 57 -11.443 -0.739 2.161 1.00 0.00 C ATOM 876 OE1 GLU A 57 -12.189 -1.699 1.877 1.00 0.00 O ATOM 877 OE2 GLU A 57 -10.985 -0.542 3.306 1.00 0.00 O ATOM 0 H GLU A 57 -11.866 0.356 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.638 2.958 -0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.173 1.954 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.114 0.815 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.916 -0.310 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.131 0.722 1.310 1.00 0.00 H new ATOM 884 N ILE A 58 -10.375 3.889 0.286 1.00 0.00 N ATOM 885 CA ILE A 58 -9.089 4.566 0.391 1.00 0.00 C ATOM 886 C ILE A 58 -8.470 4.359 1.769 1.00 0.00 C ATOM 887 O ILE A 58 -9.176 4.291 2.774 1.00 0.00 O ATOM 888 CB ILE A 58 -9.225 6.077 0.124 1.00 0.00 C ATOM 889 CG1 ILE A 58 -9.916 6.319 -1.220 1.00 0.00 C ATOM 890 CG2 ILE A 58 -7.858 6.745 0.150 1.00 0.00 C ATOM 891 CD1 ILE A 58 -9.129 5.805 -2.405 1.00 0.00 C ATOM 0 H ILE A 58 -11.142 4.363 0.763 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.439 4.128 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.838 6.516 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.894 5.839 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.087 7.388 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.971 7.812 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.399 6.597 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.223 6.305 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.679 6.011 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.160 6.303 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.980 4.730 -2.304 1.00 0.00 H new ATOM 903 N MET A 59 -7.145 4.262 1.807 1.00 0.00 N ATOM 904 CA MET A 59 -6.429 4.066 3.063 1.00 0.00 C ATOM 905 C MET A 59 -5.472 5.223 3.330 1.00 0.00 C ATOM 906 O MET A 59 -5.098 5.972 2.427 1.00 0.00 O ATOM 907 CB MET A 59 -5.656 2.746 3.033 1.00 0.00 C ATOM 908 CG MET A 59 -6.474 1.552 3.500 1.00 0.00 C ATOM 909 SD MET A 59 -5.890 -0.005 2.804 1.00 0.00 S ATOM 910 CE MET A 59 -6.323 -1.146 4.114 1.00 0.00 C ATOM 0 H MET A 59 -6.546 4.316 0.983 1.00 0.00 H new ATOM 0 HA MET A 59 -7.162 4.031 3.869 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.307 2.562 2.017 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.771 2.838 3.662 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.438 1.495 4.588 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.518 1.701 3.223 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.024 -2.155 3.831 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.809 -0.859 5.031 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.400 -1.119 4.278 1.00 0.00 H new ATOM 920 N PRO A 60 -5.066 5.376 4.599 1.00 0.00 N ATOM 921 CA PRO A 60 -4.147 6.440 5.013 1.00 0.00 C ATOM 922 C PRO A 60 -2.734 6.225 4.484 1.00 0.00 C ATOM 923 O PRO A 60 -1.941 7.163 4.404 1.00 0.00 O ATOM 924 CB PRO A 60 -4.165 6.349 6.541 1.00 0.00 C ATOM 925 CG PRO A 60 -4.542 4.938 6.832 1.00 0.00 C ATOM 926 CD PRO A 60 -5.472 4.521 5.727 1.00 0.00 C ATOM 0 HA PRO A 60 -4.450 7.413 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.190 6.594 6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.883 7.047 6.971 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.661 4.297 6.863 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.029 4.857 7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.364 3.463 5.489 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.516 4.682 5.998 1.00 0.00 H new ATOM 934 N GLU A 61 -2.425 4.983 4.122 1.00 0.00 N ATOM 935 CA GLU A 61 -1.106 4.646 3.600 1.00 0.00 C ATOM 936 C GLU A 61 -1.108 4.647 2.074 1.00 0.00 C ATOM 937 O GLU A 61 -0.418 3.847 1.442 1.00 0.00 O ATOM 938 CB GLU A 61 -0.662 3.277 4.120 1.00 0.00 C ATOM 939 CG GLU A 61 -0.117 3.311 5.538 1.00 0.00 C ATOM 940 CD GLU A 61 -0.144 1.950 6.206 1.00 0.00 C ATOM 941 OE1 GLU A 61 -0.976 1.109 5.807 1.00 0.00 O ATOM 942 OE2 GLU A 61 0.668 1.727 7.129 1.00 0.00 O ATOM 0 H GLU A 61 -3.070 4.195 4.181 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.402 5.403 3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.508 2.591 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.103 2.876 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.907 3.683 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.701 4.014 6.131 1.00 0.00 H new ATOM 949 N ASP A 62 -1.888 5.550 1.491 1.00 0.00 N ATOM 950 CA ASP A 62 -1.981 5.656 0.039 1.00 0.00 C ATOM 951 C ASP A 62 -0.979 6.675 -0.496 1.00 0.00 C ATOM 952 O ASP A 62 -0.798 7.746 0.084 1.00 0.00 O ATOM 953 CB ASP A 62 -3.399 6.050 -0.375 1.00 0.00 C ATOM 954 CG ASP A 62 -4.360 4.878 -0.339 1.00 0.00 C ATOM 955 OD1 ASP A 62 -4.127 3.944 0.458 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.344 4.894 -1.106 1.00 0.00 O ATOM 0 H ASP A 62 -2.465 6.219 2.001 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.744 4.682 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.763 6.835 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.378 6.468 -1.382 1.00 0.00 H new ATOM 961 N LYS A 63 -0.331 6.335 -1.604 1.00 0.00 N ATOM 962 CA LYS A 63 0.652 7.219 -2.219 1.00 0.00 C ATOM 963 C LYS A 63 0.062 7.926 -3.435 1.00 0.00 C ATOM 964 O LYS A 63 -0.710 7.340 -4.194 1.00 0.00 O ATOM 965 CB LYS A 63 1.895 6.426 -2.630 1.00 0.00 C ATOM 966 CG LYS A 63 3.150 7.275 -2.737 1.00 0.00 C ATOM 967 CD LYS A 63 4.136 6.689 -3.733 1.00 0.00 C ATOM 968 CE LYS A 63 5.220 7.691 -4.099 1.00 0.00 C ATOM 969 NZ LYS A 63 6.296 7.069 -4.920 1.00 0.00 N ATOM 0 H LYS A 63 -0.469 5.452 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 63 0.936 7.973 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.065 5.631 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.708 5.946 -3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.881 8.286 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.623 7.352 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.594 5.794 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.605 6.380 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.777 8.521 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.652 8.107 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.016 7.784 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.736 6.294 -4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.888 6.694 -5.800 1.00 0.00 H new ATOM 983 N THR A 64 0.433 9.190 -3.616 1.00 0.00 N ATOM 984 CA THR A 64 -0.059 9.977 -4.740 1.00 0.00 C ATOM 985 C THR A 64 0.891 9.890 -5.929 1.00 0.00 C ATOM 986 O THR A 64 1.931 10.547 -5.955 1.00 0.00 O ATOM 987 CB THR A 64 -0.243 11.457 -4.352 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.728 11.554 -3.008 1.00 0.00 O ATOM 989 CG2 THR A 64 -1.214 12.147 -5.297 1.00 0.00 C ATOM 0 H THR A 64 1.072 9.690 -2.999 1.00 0.00 H new ATOM 0 HA THR A 64 -1.026 9.559 -5.019 1.00 0.00 H new ATOM 0 HB THR A 64 0.725 11.952 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.841 12.497 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.328 13.190 -5.003 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.829 12.097 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.183 11.649 -5.251 1.00 0.00 H new ATOM 997 N VAL A 65 0.525 9.075 -6.914 1.00 0.00 N ATOM 998 CA VAL A 65 1.344 8.904 -8.108 1.00 0.00 C ATOM 999 C VAL A 65 1.438 10.203 -8.901 1.00 0.00 C ATOM 1000 O VAL A 65 2.333 10.375 -9.727 1.00 0.00 O ATOM 1001 CB VAL A 65 0.782 7.798 -9.020 1.00 0.00 C ATOM 1002 CG1 VAL A 65 1.003 6.428 -8.396 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -0.695 8.035 -9.297 1.00 0.00 C ATOM 0 H VAL A 65 -0.333 8.523 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 65 2.339 8.615 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 65 1.315 7.828 -9.970 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.599 5.659 -9.055 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.071 6.261 -8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.497 6.382 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.076 7.244 -9.943 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.246 8.032 -8.357 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.823 8.999 -9.790 1.00 0.00 H new ATOM 1013 N GLY A 66 0.506 11.116 -8.643 1.00 0.00 N ATOM 1014 CA GLY A 66 0.502 12.388 -9.341 1.00 0.00 C ATOM 1015 C GLY A 66 -0.900 12.914 -9.580 1.00 0.00 C ATOM 1016 O GLY A 66 -1.858 12.449 -8.962 1.00 0.00 O ATOM 0 H GLY A 66 -0.245 10.997 -7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.067 13.118 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.013 12.276 -10.297 1.00 0.00 H new ATOM 1020 N PHE A 67 -1.021 13.886 -10.477 1.00 0.00 N ATOM 1021 CA PHE A 67 -2.316 14.478 -10.794 1.00 0.00 C ATOM 1022 C PHE A 67 -2.351 14.966 -12.239 1.00 0.00 C ATOM 1023 O PHE A 67 -1.310 15.174 -12.862 1.00 0.00 O ATOM 1024 CB PHE A 67 -2.616 15.638 -9.843 1.00 0.00 C ATOM 1025 CG PHE A 67 -1.561 16.707 -9.850 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -1.510 17.643 -10.871 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -0.619 16.776 -8.836 1.00 0.00 C ATOM 1028 CE1 PHE A 67 -0.541 18.628 -10.880 1.00 0.00 C ATOM 1029 CE2 PHE A 67 0.352 17.759 -8.839 1.00 0.00 C ATOM 1030 CZ PHE A 67 0.392 18.686 -9.863 1.00 0.00 C ATOM 0 H PHE A 67 -0.238 14.281 -10.998 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.080 13.710 -10.670 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.574 16.082 -10.115 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.721 15.249 -8.830 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.236 17.602 -11.669 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.644 16.053 -8.034 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.513 19.352 -11.681 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.079 17.803 -8.042 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.151 19.454 -9.868 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.558 15.148 -12.766 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.731 15.613 -14.137 1.00 0.00 C ATOM 1042 C VAL A 68 -4.724 16.768 -14.205 1.00 0.00 C ATOM 1043 O VAL A 68 -5.884 16.627 -13.819 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.218 14.478 -15.057 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.435 14.993 -16.472 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.227 13.323 -15.048 1.00 0.00 C ATOM 0 H VAL A 68 -4.430 14.980 -12.264 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.755 15.956 -14.480 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.172 14.112 -14.679 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.779 14.177 -17.107 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.184 15.784 -16.460 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.497 15.387 -16.864 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.587 12.530 -15.703 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.257 13.673 -15.401 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.127 12.938 -14.033 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.260 17.912 -14.698 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.107 19.092 -14.818 1.00 0.00 C ATOM 1058 C VAL A 69 -5.821 19.122 -16.165 1.00 0.00 C ATOM 1059 O VAL A 69 -5.192 18.996 -17.216 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.291 20.388 -14.653 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.214 21.596 -14.596 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.420 20.313 -13.409 1.00 0.00 C ATOM 0 H VAL A 69 -3.302 18.046 -15.021 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.847 19.033 -14.019 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.639 20.500 -15.519 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.620 22.502 -14.479 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.791 21.657 -15.519 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.893 21.496 -13.749 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.850 21.237 -13.308 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.051 20.178 -12.531 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.733 19.471 -13.496 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.139 19.290 -16.127 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.939 19.338 -17.345 1.00 0.00 C ATOM 1074 C VAL A 70 -9.086 20.333 -17.210 1.00 0.00 C ATOM 1075 O VAL A 70 -10.037 20.101 -16.466 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.514 17.952 -17.694 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.386 18.033 -18.938 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.392 16.942 -17.884 1.00 0.00 C ATOM 0 H VAL A 70 -7.675 19.395 -15.266 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.275 19.660 -18.147 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.137 17.617 -16.864 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.783 17.045 -19.169 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.211 18.723 -18.760 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.790 18.390 -19.778 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.816 15.969 -18.130 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.741 17.269 -18.695 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.813 16.863 -16.964 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.988 21.441 -17.937 1.00 0.00 N ATOM 1089 CA ASN A 71 -10.019 22.473 -17.898 1.00 0.00 C ATOM 1090 C ASN A 71 -10.410 22.904 -19.309 1.00 0.00 C ATOM 1091 O ASN A 71 -9.614 23.506 -20.028 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.528 23.684 -17.101 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.771 23.283 -15.850 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -7.755 24.063 -15.498 1.00 0.00 O flip ATOM 1095 ND2 ASN A 71 -9.096 22.285 -15.207 1.00 0.00 N flip ATOM 0 H ASN A 71 -8.207 21.648 -18.559 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.898 22.055 -17.407 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.883 24.294 -17.733 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.381 24.303 -16.824 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.884 21.714 -15.514 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.578 22.029 -14.367 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.642 22.591 -19.696 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.141 22.948 -21.019 1.00 0.00 C ATOM 1104 C ALA A 72 -12.414 24.445 -21.117 1.00 0.00 C ATOM 1105 O ALA A 72 -12.003 25.099 -22.076 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.400 22.157 -21.339 1.00 0.00 C ATOM 0 H ALA A 72 -12.313 22.091 -19.113 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.373 22.697 -21.750 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.762 22.434 -22.329 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.175 21.091 -21.320 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.167 22.379 -20.598 1.00 0.00 H new ATOM 1112 N ASP A 73 -13.109 24.981 -20.121 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.437 26.402 -20.095 1.00 0.00 C ATOM 1114 C ASP A 73 -12.178 27.247 -19.926 1.00 0.00 C ATOM 1115 O ASP A 73 -11.968 28.219 -20.653 1.00 0.00 O ATOM 1116 CB ASP A 73 -14.422 26.699 -18.963 1.00 0.00 C ATOM 1117 CG ASP A 73 -14.473 28.174 -18.612 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -14.912 28.971 -19.466 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -14.072 28.529 -17.484 1.00 0.00 O ATOM 0 H ASP A 73 -13.457 24.453 -19.320 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.901 26.660 -21.047 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.417 26.363 -19.254 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.138 26.128 -18.079 1.00 0.00 H new ATOM 1124 N LYS A 74 -11.345 26.872 -18.962 1.00 0.00 N ATOM 1125 CA LYS A 74 -10.106 27.594 -18.697 1.00 0.00 C ATOM 1126 C LYS A 74 -9.062 27.295 -19.767 1.00 0.00 C ATOM 1127 O LYS A 74 -8.102 28.046 -19.940 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.559 27.220 -17.317 1.00 0.00 C ATOM 1129 CG LYS A 74 -10.617 27.203 -16.228 1.00 0.00 C ATOM 1130 CD LYS A 74 -10.001 27.371 -14.849 1.00 0.00 C ATOM 1131 CE LYS A 74 -9.502 28.791 -14.630 1.00 0.00 C ATOM 1132 NZ LYS A 74 -9.166 29.047 -13.202 1.00 0.00 N ATOM 0 H LYS A 74 -11.505 26.072 -18.350 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.326 28.661 -18.717 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.093 26.236 -17.375 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.777 27.928 -17.041 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.336 28.002 -16.406 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.168 26.263 -16.269 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.739 27.122 -14.087 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.173 26.671 -14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.621 28.965 -15.247 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.265 29.498 -14.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.830 30.025 -13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.013 28.905 -12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.420 28.389 -12.898 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.256 26.194 -20.485 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.333 25.797 -21.542 1.00 0.00 C ATOM 1148 C LYS A 75 -6.952 25.489 -20.971 1.00 0.00 C ATOM 1149 O LYS A 75 -5.952 26.077 -21.386 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.226 26.901 -22.596 1.00 0.00 C ATOM 1151 CG LYS A 75 -9.572 27.427 -23.064 1.00 0.00 C ATOM 1152 CD LYS A 75 -9.415 28.655 -23.945 1.00 0.00 C ATOM 1153 CE LYS A 75 -10.762 29.177 -24.419 1.00 0.00 C ATOM 1154 NZ LYS A 75 -11.416 28.239 -25.373 1.00 0.00 N ATOM 0 H LYS A 75 -10.045 25.560 -20.354 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.723 24.893 -22.010 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.645 27.727 -22.187 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.676 26.519 -23.456 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.097 26.647 -23.616 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.188 27.675 -22.199 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.895 29.437 -23.392 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.795 28.409 -24.807 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.414 29.334 -23.559 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.628 30.147 -24.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.263 28.688 -25.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.752 28.003 -26.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.690 27.370 -24.872 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.903 24.565 -20.018 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.644 24.178 -19.391 1.00 0.00 C ATOM 1170 C LEU A 76 -5.532 22.660 -19.287 1.00 0.00 C ATOM 1171 O LEU A 76 -6.389 22.004 -18.696 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.530 24.806 -18.001 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.980 26.263 -17.884 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.867 26.742 -16.445 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -5.160 27.150 -18.810 1.00 0.00 C ATOM 0 H LEU A 76 -7.721 24.070 -19.662 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.828 24.542 -20.015 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.118 24.208 -17.305 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.491 24.741 -17.679 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.026 26.326 -18.185 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.191 27.781 -16.381 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.498 26.125 -15.805 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.831 26.665 -16.116 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.494 28.183 -18.714 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.106 27.082 -18.540 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.292 26.821 -19.841 1.00 0.00 H new ATOM 1187 N MET A 77 -4.468 22.110 -19.863 1.00 0.00 N ATOM 1188 CA MET A 77 -4.241 20.670 -19.831 1.00 0.00 C ATOM 1189 C MET A 77 -2.825 20.352 -19.362 1.00 0.00 C ATOM 1190 O MET A 77 -1.850 20.667 -20.044 1.00 0.00 O ATOM 1191 CB MET A 77 -4.481 20.064 -21.215 1.00 0.00 C ATOM 1192 CG MET A 77 -5.752 20.560 -21.884 1.00 0.00 C ATOM 1193 SD MET A 77 -7.244 20.022 -21.027 1.00 0.00 S ATOM 1194 CE MET A 77 -7.078 18.242 -21.142 1.00 0.00 C ATOM 0 H MET A 77 -3.750 22.639 -20.357 1.00 0.00 H new ATOM 0 HA MET A 77 -4.945 20.232 -19.123 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.630 20.294 -21.856 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.528 18.979 -21.124 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.735 21.649 -21.926 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.780 20.202 -22.913 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.066 17.782 -21.115 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.583 17.982 -22.078 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.485 17.877 -20.304 1.00 0.00 H new ATOM 1204 N SER A 78 -2.719 19.727 -18.194 1.00 0.00 N ATOM 1205 CA SER A 78 -1.422 19.371 -17.632 1.00 0.00 C ATOM 1206 C SER A 78 -1.432 17.940 -17.105 1.00 0.00 C ATOM 1207 O SER A 78 -2.478 17.414 -16.723 1.00 0.00 O ATOM 1208 CB SER A 78 -1.046 20.338 -16.508 1.00 0.00 C ATOM 1209 OG SER A 78 -1.560 21.635 -16.757 1.00 0.00 O ATOM 0 H SER A 78 -3.516 19.457 -17.618 1.00 0.00 H new ATOM 0 HA SER A 78 -0.679 19.442 -18.426 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.433 19.966 -15.559 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.039 20.386 -16.413 1.00 0.00 H new ATOM 0 HG SER A 78 -1.307 22.233 -16.023 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.260 17.313 -17.087 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.133 15.943 -16.606 1.00 0.00 C ATOM 1217 C VAL A 79 1.182 15.742 -15.860 1.00 0.00 C ATOM 1218 O VAL A 79 2.259 15.980 -16.405 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.212 14.931 -17.765 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.070 13.737 -17.374 1.00 0.00 C ATOM 1221 CG2 VAL A 79 -0.755 15.600 -19.019 1.00 0.00 C ATOM 0 H VAL A 79 0.615 17.733 -17.400 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.965 15.769 -15.924 1.00 0.00 H new ATOM 0 HB VAL A 79 0.794 14.570 -17.979 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.114 13.033 -18.205 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.634 13.245 -16.504 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.077 14.076 -17.132 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.804 14.871 -19.828 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.753 15.990 -18.820 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.097 16.419 -19.308 1.00 0.00 H new ATOM 1231 N SER A 80 1.085 15.303 -14.609 1.00 0.00 N ATOM 1232 CA SER A 80 2.267 15.073 -13.786 1.00 0.00 C ATOM 1233 C SER A 80 2.102 13.815 -12.938 1.00 0.00 C ATOM 1234 O SER A 80 1.361 13.808 -11.955 1.00 0.00 O ATOM 1235 CB SER A 80 2.528 16.280 -12.883 1.00 0.00 C ATOM 1236 OG SER A 80 3.588 16.021 -11.979 1.00 0.00 O ATOM 0 H SER A 80 0.201 15.100 -14.143 1.00 0.00 H new ATOM 0 HA SER A 80 3.120 14.933 -14.450 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.771 17.149 -13.494 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.623 16.524 -12.327 1.00 0.00 H new ATOM 0 HG SER A 80 3.736 16.808 -11.414 1.00 0.00 H new ATOM 1242 N PHE A 81 2.798 12.752 -13.327 1.00 0.00 N ATOM 1243 CA PHE A 81 2.730 11.488 -12.604 1.00 0.00 C ATOM 1244 C PHE A 81 4.109 10.842 -12.506 1.00 0.00 C ATOM 1245 O PHE A 81 5.057 11.275 -13.160 1.00 0.00 O ATOM 1246 CB PHE A 81 1.755 10.533 -13.296 1.00 0.00 C ATOM 1247 CG PHE A 81 1.997 10.395 -14.772 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.504 11.337 -15.660 1.00 0.00 C ATOM 1249 CD2 PHE A 81 2.718 9.322 -15.272 1.00 0.00 C ATOM 1250 CE1 PHE A 81 1.726 11.214 -17.018 1.00 0.00 C ATOM 1251 CE2 PHE A 81 2.943 9.193 -16.629 1.00 0.00 C ATOM 1252 CZ PHE A 81 2.445 10.140 -17.504 1.00 0.00 C ATOM 0 H PHE A 81 3.415 12.741 -14.139 1.00 0.00 H new ATOM 0 HA PHE A 81 2.373 11.694 -11.595 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.829 9.550 -12.830 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.737 10.886 -13.134 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.939 12.178 -15.286 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.108 8.578 -14.593 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.338 11.957 -17.699 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.508 8.353 -17.006 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.618 10.040 -18.565 1.00 0.00 H new ATOM 1262 N SER A 82 4.212 9.803 -11.682 1.00 0.00 N ATOM 1263 CA SER A 82 5.475 9.100 -11.494 1.00 0.00 C ATOM 1264 C SER A 82 6.095 8.727 -12.837 1.00 0.00 C ATOM 1265 O SER A 82 5.394 8.326 -13.767 1.00 0.00 O ATOM 1266 CB SER A 82 5.261 7.841 -10.651 1.00 0.00 C ATOM 1267 OG SER A 82 6.456 7.086 -10.549 1.00 0.00 O ATOM 0 H SER A 82 3.436 9.430 -11.135 1.00 0.00 H new ATOM 0 HA SER A 82 6.160 9.768 -10.971 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.918 8.121 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.478 7.229 -11.098 1.00 0.00 H new ATOM 0 HG SER A 82 6.293 6.288 -10.004 1.00 0.00 H new ATOM 1273 N ASP A 83 7.413 8.863 -12.931 1.00 0.00 N ATOM 1274 CA ASP A 83 8.129 8.540 -14.160 1.00 0.00 C ATOM 1275 C ASP A 83 8.065 7.043 -14.448 1.00 0.00 C ATOM 1276 O ASP A 83 8.925 6.279 -14.008 1.00 0.00 O ATOM 1277 CB ASP A 83 9.587 8.991 -14.059 1.00 0.00 C ATOM 1278 CG ASP A 83 10.198 9.282 -15.415 1.00 0.00 C ATOM 1279 OD1 ASP A 83 9.440 9.625 -16.347 1.00 0.00 O ATOM 1280 OD2 ASP A 83 11.435 9.167 -15.545 1.00 0.00 O ATOM 0 H ASP A 83 8.007 9.195 -12.171 1.00 0.00 H new ATOM 0 HA ASP A 83 7.649 9.071 -14.982 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.646 9.885 -13.438 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.170 8.217 -13.560 1.00 0.00 H new ATOM 1285 N ILE A 84 7.042 6.632 -15.189 1.00 0.00 N ATOM 1286 CA ILE A 84 6.866 5.227 -15.536 1.00 0.00 C ATOM 1287 C ILE A 84 7.707 4.852 -16.752 1.00 0.00 C ATOM 1288 O ILE A 84 8.476 5.667 -17.263 1.00 0.00 O ATOM 1289 CB ILE A 84 5.389 4.899 -15.826 1.00 0.00 C ATOM 1290 CG1 ILE A 84 4.878 5.739 -16.999 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.541 5.139 -14.586 1.00 0.00 C ATOM 1292 CD1 ILE A 84 3.423 5.492 -17.329 1.00 0.00 C ATOM 0 H ILE A 84 6.322 7.252 -15.561 1.00 0.00 H new ATOM 0 HA ILE A 84 7.196 4.645 -14.675 1.00 0.00 H new ATOM 0 HB ILE A 84 5.312 3.846 -16.097 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.015 6.795 -16.766 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.484 5.525 -17.880 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.500 4.903 -14.806 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.894 4.502 -13.775 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.621 6.184 -14.287 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.129 6.120 -18.170 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.283 4.444 -17.593 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.807 5.733 -16.463 1.00 0.00 H new ATOM 1304 N ASP A 85 7.553 3.616 -17.212 1.00 0.00 N ATOM 1305 CA ASP A 85 8.295 3.133 -18.370 1.00 0.00 C ATOM 1306 C ASP A 85 8.172 4.105 -19.539 1.00 0.00 C ATOM 1307 O ASP A 85 7.196 4.847 -19.640 1.00 0.00 O ATOM 1308 CB ASP A 85 7.790 1.750 -18.786 1.00 0.00 C ATOM 1309 CG ASP A 85 8.220 0.662 -17.822 1.00 0.00 C ATOM 1310 OD1 ASP A 85 9.442 0.453 -17.671 1.00 0.00 O ATOM 1311 OD2 ASP A 85 7.335 0.020 -17.218 1.00 0.00 O ATOM 0 H ASP A 85 6.921 2.930 -16.800 1.00 0.00 H new ATOM 0 HA ASP A 85 9.346 3.059 -18.091 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.702 1.767 -18.848 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.162 1.515 -19.783 1.00 0.00 H new ATOM 1316 N GLU A 86 9.169 4.096 -20.418 1.00 0.00 N ATOM 1317 CA GLU A 86 9.173 4.980 -21.578 1.00 0.00 C ATOM 1318 C GLU A 86 8.135 4.534 -22.604 1.00 0.00 C ATOM 1319 O GLU A 86 7.435 5.357 -23.192 1.00 0.00 O ATOM 1320 CB GLU A 86 10.561 5.010 -22.220 1.00 0.00 C ATOM 1321 CG GLU A 86 11.061 3.642 -22.653 1.00 0.00 C ATOM 1322 CD GLU A 86 12.572 3.530 -22.599 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.180 4.134 -21.691 1.00 0.00 O ATOM 1324 OE2 GLU A 86 13.148 2.837 -23.465 1.00 0.00 O ATOM 0 H GLU A 86 9.984 3.487 -20.349 1.00 0.00 H new ATOM 0 HA GLU A 86 8.917 5.984 -21.239 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.537 5.670 -23.087 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.270 5.439 -21.512 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.621 2.879 -22.012 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.721 3.440 -23.669 1.00 0.00 H new ATOM 1331 N ASN A 87 8.044 3.225 -22.814 1.00 0.00 N ATOM 1332 CA ASN A 87 7.093 2.668 -23.770 1.00 0.00 C ATOM 1333 C ASN A 87 5.688 3.204 -23.515 1.00 0.00 C ATOM 1334 O ASN A 87 4.922 3.437 -24.449 1.00 0.00 O ATOM 1335 CB ASN A 87 7.091 1.140 -23.688 1.00 0.00 C ATOM 1336 CG ASN A 87 6.688 0.492 -24.998 1.00 0.00 C ATOM 1337 OD1 ASN A 87 5.506 0.257 -25.250 1.00 0.00 O ATOM 1338 ND2 ASN A 87 7.672 0.198 -25.840 1.00 0.00 N ATOM 0 H ASN A 87 8.617 2.530 -22.335 1.00 0.00 H new ATOM 0 HA ASN A 87 7.402 2.971 -24.770 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.084 0.793 -23.404 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.406 0.822 -22.902 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.462 -0.240 -26.737 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.638 0.411 -25.590 1.00 0.00 H new ATOM 1345 N MET A 88 5.356 3.398 -22.242 1.00 0.00 N ATOM 1346 CA MET A 88 4.044 3.909 -21.864 1.00 0.00 C ATOM 1347 C MET A 88 3.956 5.413 -22.102 1.00 0.00 C ATOM 1348 O MET A 88 2.905 5.933 -22.475 1.00 0.00 O ATOM 1349 CB MET A 88 3.755 3.596 -20.394 1.00 0.00 C ATOM 1350 CG MET A 88 2.275 3.605 -20.051 1.00 0.00 C ATOM 1351 SD MET A 88 1.906 2.682 -18.546 1.00 0.00 S ATOM 1352 CE MET A 88 0.938 1.328 -19.208 1.00 0.00 C ATOM 0 H MET A 88 5.978 3.209 -21.456 1.00 0.00 H new ATOM 0 HA MET A 88 3.297 3.416 -22.487 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.170 2.618 -20.151 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.269 4.325 -19.768 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.940 4.635 -19.932 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.711 3.180 -20.881 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.077 1.379 -18.813 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.908 1.399 -20.295 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.393 0.380 -18.919 1.00 0.00 H new ATOM 1362 N LYS A 89 5.068 6.108 -21.884 1.00 0.00 N ATOM 1363 CA LYS A 89 5.118 7.552 -22.076 1.00 0.00 C ATOM 1364 C LYS A 89 4.724 7.926 -23.502 1.00 0.00 C ATOM 1365 O LYS A 89 4.255 9.035 -23.757 1.00 0.00 O ATOM 1366 CB LYS A 89 6.521 8.080 -21.769 1.00 0.00 C ATOM 1367 CG LYS A 89 6.598 9.595 -21.690 1.00 0.00 C ATOM 1368 CD LYS A 89 7.804 10.051 -20.886 1.00 0.00 C ATOM 1369 CE LYS A 89 9.031 10.217 -21.769 1.00 0.00 C ATOM 1370 NZ LYS A 89 10.203 10.721 -21.000 1.00 0.00 N ATOM 0 H LYS A 89 5.947 5.694 -21.574 1.00 0.00 H new ATOM 0 HA LYS A 89 4.406 8.009 -21.389 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.860 7.658 -20.823 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.208 7.729 -22.539 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.652 10.010 -22.696 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.687 9.983 -21.234 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.578 10.997 -20.394 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.015 9.325 -20.101 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.281 9.260 -22.227 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.804 10.909 -22.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.019 10.821 -21.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.973 11.646 -20.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.436 10.048 -20.242 1.00 0.00 H new ATOM 1384 N LYS A 90 4.916 6.993 -24.428 1.00 0.00 N ATOM 1385 CA LYS A 90 4.579 7.222 -25.827 1.00 0.00 C ATOM 1386 C LYS A 90 3.075 7.410 -26.001 1.00 0.00 C ATOM 1387 O LYS A 90 2.624 8.421 -26.540 1.00 0.00 O ATOM 1388 CB LYS A 90 5.059 6.051 -26.688 1.00 0.00 C ATOM 1389 CG LYS A 90 5.186 6.392 -28.162 1.00 0.00 C ATOM 1390 CD LYS A 90 5.729 5.218 -28.961 1.00 0.00 C ATOM 1391 CE LYS A 90 6.212 5.655 -30.336 1.00 0.00 C ATOM 1392 NZ LYS A 90 7.456 6.469 -30.254 1.00 0.00 N ATOM 0 H LYS A 90 5.304 6.070 -24.234 1.00 0.00 H new ATOM 0 HA LYS A 90 5.082 8.133 -26.150 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.026 5.711 -26.318 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.364 5.219 -26.575 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.211 6.681 -28.555 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.846 7.251 -28.282 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.551 4.755 -28.416 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.953 4.461 -29.071 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.394 4.775 -30.954 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.431 6.234 -30.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.910 6.505 -31.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.220 7.434 -29.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.109 6.038 -29.569 1.00 0.00 H new ATOM 1406 N VAL A 91 2.303 6.432 -25.538 1.00 0.00 N ATOM 1407 CA VAL A 91 0.850 6.491 -25.640 1.00 0.00 C ATOM 1408 C VAL A 91 0.283 7.605 -24.766 1.00 0.00 C ATOM 1409 O VAL A 91 -0.724 8.225 -25.109 1.00 0.00 O ATOM 1410 CB VAL A 91 0.204 5.154 -25.232 1.00 0.00 C ATOM 1411 CG1 VAL A 91 0.671 4.735 -23.847 1.00 0.00 C ATOM 1412 CG2 VAL A 91 -1.313 5.259 -25.283 1.00 0.00 C ATOM 0 H VAL A 91 2.660 5.589 -25.088 1.00 0.00 H new ATOM 0 HA VAL A 91 0.614 6.696 -26.684 1.00 0.00 H new ATOM 0 HB VAL A 91 0.517 4.388 -25.941 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.204 3.788 -23.576 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.755 4.617 -23.849 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.390 5.499 -23.122 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.754 4.306 -24.992 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.647 6.038 -24.597 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.627 5.509 -26.297 1.00 0.00 H new ATOM 1422 N ILE A 92 0.937 7.853 -23.636 1.00 0.00 N ATOM 1423 CA ILE A 92 0.499 8.893 -22.714 1.00 0.00 C ATOM 1424 C ILE A 92 0.738 10.282 -23.297 1.00 0.00 C ATOM 1425 O ILE A 92 -0.132 11.151 -23.237 1.00 0.00 O ATOM 1426 CB ILE A 92 1.223 8.786 -21.359 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.880 7.461 -20.675 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.853 9.960 -20.466 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.725 7.173 -19.455 1.00 0.00 C ATOM 0 H ILE A 92 1.771 7.348 -23.337 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.570 8.746 -22.558 1.00 0.00 H new ATOM 0 HB ILE A 92 2.298 8.814 -21.536 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.170 7.473 -20.384 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.003 6.649 -21.392 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.373 9.870 -19.512 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.144 10.892 -20.951 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.223 9.961 -20.294 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.426 6.218 -19.022 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.775 7.128 -19.742 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.584 7.965 -18.719 1.00 0.00 H new ATOM 1441 N LYS A 93 1.923 10.483 -23.863 1.00 0.00 N ATOM 1442 CA LYS A 93 2.277 11.765 -24.461 1.00 0.00 C ATOM 1443 C LYS A 93 1.431 12.040 -25.700 1.00 0.00 C ATOM 1444 O LYS A 93 0.994 13.168 -25.927 1.00 0.00 O ATOM 1445 CB LYS A 93 3.762 11.785 -24.831 1.00 0.00 C ATOM 1446 CG LYS A 93 4.227 13.110 -25.410 1.00 0.00 C ATOM 1447 CD LYS A 93 4.119 13.124 -26.926 1.00 0.00 C ATOM 1448 CE LYS A 93 4.994 14.208 -27.537 1.00 0.00 C ATOM 1449 NZ LYS A 93 6.438 13.849 -27.486 1.00 0.00 N ATOM 0 H LYS A 93 2.655 9.775 -23.920 1.00 0.00 H new ATOM 0 HA LYS A 93 2.080 12.547 -23.727 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.352 11.559 -23.943 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.958 10.993 -25.554 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.628 13.920 -24.994 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.260 13.294 -25.116 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.413 12.152 -27.322 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.081 13.286 -27.216 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.697 14.373 -28.573 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.834 15.146 -27.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.978 14.494 -28.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.782 13.931 -26.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.564 12.871 -27.817 1.00 0.00 H new ATOM 1463 N ALA A 94 1.201 11.002 -26.497 1.00 0.00 N ATOM 1464 CA ALA A 94 0.404 11.132 -27.710 1.00 0.00 C ATOM 1465 C ALA A 94 -1.048 11.461 -27.380 1.00 0.00 C ATOM 1466 O ALA A 94 -1.627 12.394 -27.938 1.00 0.00 O ATOM 1467 CB ALA A 94 0.483 9.854 -28.533 1.00 0.00 C ATOM 0 H ALA A 94 1.556 10.061 -26.324 1.00 0.00 H new ATOM 0 HA ALA A 94 0.812 11.955 -28.297 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.117 9.965 -29.436 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.520 9.662 -28.808 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.102 9.019 -27.945 1.00 0.00 H new ATOM 1473 N THR A 95 -1.633 10.689 -26.469 1.00 0.00 N ATOM 1474 CA THR A 95 -3.018 10.898 -26.066 1.00 0.00 C ATOM 1475 C THR A 95 -3.203 12.266 -25.421 1.00 0.00 C ATOM 1476 O THR A 95 -4.180 12.963 -25.691 1.00 0.00 O ATOM 1477 CB THR A 95 -3.486 9.811 -25.081 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.268 8.512 -25.644 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.960 9.982 -24.746 1.00 0.00 C ATOM 0 H THR A 95 -1.169 9.913 -25.996 1.00 0.00 H new ATOM 0 HA THR A 95 -3.622 10.842 -26.971 1.00 0.00 H new ATOM 0 HB THR A 95 -2.907 9.911 -24.163 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.475 8.107 -25.235 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.267 9.203 -24.049 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.119 10.960 -24.291 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.552 9.907 -25.658 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.257 12.646 -24.568 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.314 13.933 -23.886 1.00 0.00 C ATOM 1489 C ALA A 96 -2.047 15.079 -24.855 1.00 0.00 C ATOM 1490 O ALA A 96 -2.562 16.183 -24.681 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.317 13.966 -22.738 1.00 0.00 C ATOM 0 H ALA A 96 -1.442 12.080 -24.333 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.319 14.059 -23.483 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.370 14.933 -22.238 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.555 13.175 -22.026 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.310 13.813 -23.126 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.239 14.810 -25.875 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.903 15.822 -26.871 1.00 0.00 C ATOM 1499 C GLU A 97 -2.080 16.075 -27.808 1.00 0.00 C ATOM 1500 O GLU A 97 -2.312 17.203 -28.242 1.00 0.00 O ATOM 1501 CB GLU A 97 0.322 15.387 -27.679 1.00 0.00 C ATOM 1502 CG GLU A 97 1.643 15.769 -27.033 1.00 0.00 C ATOM 1503 CD GLU A 97 1.931 17.255 -27.129 1.00 0.00 C ATOM 1504 OE1 GLU A 97 1.430 17.897 -28.075 1.00 0.00 O ATOM 1505 OE2 GLU A 97 2.658 17.775 -26.256 1.00 0.00 O ATOM 0 H GLU A 97 -0.805 13.901 -26.034 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.673 16.749 -26.346 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.292 14.306 -27.814 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.270 15.834 -28.672 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.630 15.472 -25.984 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.451 15.215 -27.511 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.821 15.016 -28.116 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.976 15.121 -29.001 1.00 0.00 C ATOM 1514 C LYS A 98 -4.955 16.175 -28.494 1.00 0.00 C ATOM 1515 O LYS A 98 -5.662 16.808 -29.279 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.681 13.768 -29.116 1.00 0.00 C ATOM 1517 CG LYS A 98 -3.901 12.742 -29.920 1.00 0.00 C ATOM 1518 CD LYS A 98 -4.283 12.779 -31.391 1.00 0.00 C ATOM 1519 CE LYS A 98 -4.070 11.427 -32.056 1.00 0.00 C ATOM 1520 NZ LYS A 98 -5.193 10.489 -31.778 1.00 0.00 N ATOM 0 H LYS A 98 -2.643 14.075 -27.766 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.621 15.424 -29.986 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.859 13.374 -28.115 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.657 13.914 -29.579 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.833 12.932 -29.816 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.088 11.746 -29.519 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.328 13.074 -31.489 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.689 13.536 -31.904 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.969 11.564 -33.133 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.136 10.991 -31.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.010 9.580 -32.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.274 10.338 -30.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.081 10.893 -32.139 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.991 16.359 -27.179 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.884 17.337 -26.568 1.00 0.00 C ATOM 1536 C PHE A 99 -5.630 18.732 -27.132 1.00 0.00 C ATOM 1537 O PHE A 99 -6.506 19.597 -27.097 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.700 17.348 -25.049 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.676 16.468 -24.321 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -7.918 16.952 -23.945 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -6.349 15.158 -24.011 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -8.819 16.145 -23.275 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -7.246 14.346 -23.341 1.00 0.00 C ATOM 1544 CZ PHE A 99 -8.481 14.841 -22.972 1.00 0.00 C ATOM 0 H PHE A 99 -4.412 15.844 -26.516 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.910 17.051 -26.801 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.686 17.027 -24.811 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.804 18.370 -24.686 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.186 17.972 -24.178 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.383 14.767 -24.296 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.785 16.534 -22.989 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.981 13.326 -23.107 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.182 14.209 -22.447 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.426 18.944 -27.651 1.00 0.00 N ATOM 1555 CA LYS A 100 -4.055 20.232 -28.224 1.00 0.00 C ATOM 1556 C LYS A 100 -5.104 20.705 -29.226 1.00 0.00 C ATOM 1557 O LYS A 100 -5.318 21.904 -29.395 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.689 20.135 -28.908 1.00 0.00 C ATOM 1559 CG LYS A 100 -2.718 19.366 -30.218 1.00 0.00 C ATOM 1560 CD LYS A 100 -1.316 19.048 -30.709 1.00 0.00 C ATOM 1561 CE LYS A 100 -0.605 20.295 -31.211 1.00 0.00 C ATOM 1562 NZ LYS A 100 0.447 19.968 -32.213 1.00 0.00 N ATOM 0 H LYS A 100 -3.689 18.239 -27.687 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.998 20.959 -27.414 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.313 21.141 -29.095 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.985 19.653 -28.229 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.277 18.440 -30.085 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.245 19.950 -30.972 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.739 18.600 -29.900 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.368 18.310 -31.510 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.333 20.973 -31.657 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.154 20.820 -30.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.908 20.844 -32.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.155 19.341 -31.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.013 19.490 -33.028 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.757 19.753 -29.886 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.785 20.073 -30.869 1.00 0.00 C ATOM 1578 C ASN A 101 -7.822 21.025 -30.282 1.00 0.00 C ATOM 1579 O ASN A 101 -8.338 21.904 -30.974 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.468 18.795 -31.358 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.630 18.043 -32.374 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -5.994 18.646 -33.239 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -6.625 16.719 -32.274 1.00 0.00 N ATOM 0 H ASN A 101 -5.592 18.755 -29.758 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.304 20.565 -31.714 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.670 18.146 -30.506 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.431 19.048 -31.802 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.079 16.160 -32.930 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.167 16.261 -31.541 1.00 0.00 H new ATOM 1590 N LYS A 102 -8.124 20.845 -29.001 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.099 21.688 -28.318 1.00 0.00 C ATOM 1592 C LYS A 102 -8.509 22.275 -27.040 1.00 0.00 C ATOM 1593 O LYS A 102 -9.235 22.598 -26.101 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.358 20.883 -27.988 1.00 0.00 C ATOM 1595 CG LYS A 102 -11.584 21.745 -27.743 1.00 0.00 C ATOM 1596 CD LYS A 102 -12.845 20.904 -27.641 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.987 20.275 -26.263 1.00 0.00 C ATOM 1598 NZ LYS A 102 -13.476 21.255 -25.254 1.00 0.00 N ATOM 0 H LYS A 102 -7.707 20.122 -28.414 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.364 22.508 -28.985 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.565 20.196 -28.808 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.169 20.275 -27.103 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.451 22.316 -26.824 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.691 22.466 -28.553 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.716 21.526 -27.850 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.823 20.121 -28.399 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.678 19.434 -26.317 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.024 19.876 -25.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.592 20.780 -24.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.787 22.028 -25.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.391 21.642 -25.561 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.186 22.413 -27.012 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.522 22.963 -25.845 1.00 0.00 C ATOM 1614 C GLY A 103 -5.040 23.186 -26.072 1.00 0.00 C ATOM 1615 O GLY A 103 -4.212 22.378 -25.651 1.00 0.00 O ATOM 0 H GLY A 103 -6.563 22.154 -27.777 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.992 23.909 -25.576 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.659 22.288 -25.001 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.705 24.284 -26.742 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.313 24.609 -27.028 1.00 0.00 C ATOM 1621 C PHE A 104 -2.467 24.541 -25.759 1.00 0.00 C ATOM 1622 O PHE A 104 -1.279 24.219 -25.807 1.00 0.00 O ATOM 1623 CB PHE A 104 -3.210 26.004 -27.648 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.471 27.115 -26.672 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -4.765 27.430 -26.289 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -2.422 27.846 -26.138 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -5.008 28.451 -25.391 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -2.659 28.869 -25.239 1.00 0.00 C ATOM 1629 CZ PHE A 104 -3.954 29.172 -24.866 1.00 0.00 C ATOM 0 H PHE A 104 -5.378 24.963 -27.097 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.933 23.874 -27.738 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.214 26.131 -28.073 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.920 26.080 -28.471 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.593 26.870 -26.698 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.408 27.614 -26.427 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.021 28.685 -25.100 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.833 29.431 -24.829 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.142 29.972 -24.165 1.00 0.00 H new ATOM 1639 N LYS A 105 -3.087 24.848 -24.625 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.394 24.822 -23.342 1.00 0.00 C ATOM 1641 C LYS A 105 -2.200 23.389 -22.858 1.00 0.00 C ATOM 1642 O LYS A 105 -2.943 22.906 -22.004 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.177 25.622 -22.299 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.311 26.181 -21.184 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.997 25.123 -20.139 1.00 0.00 C ATOM 1646 CE LYS A 105 -1.725 25.746 -18.779 1.00 0.00 C ATOM 1647 NZ LYS A 105 -0.280 26.052 -18.588 1.00 0.00 N ATOM 0 H LYS A 105 -4.069 25.118 -24.568 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.413 25.277 -23.478 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.691 26.445 -22.796 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.945 24.982 -21.865 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.382 26.568 -21.603 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.821 27.020 -20.712 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.833 24.428 -20.061 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.129 24.544 -20.455 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.307 26.662 -18.676 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.059 25.067 -17.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.136 26.475 -17.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.273 25.174 -18.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.033 26.720 -19.321 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.195 22.714 -23.408 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.902 21.337 -23.030 1.00 0.00 C ATOM 1663 C VAL A 106 0.485 21.221 -22.408 1.00 0.00 C ATOM 1664 O VAL A 106 1.445 21.819 -22.894 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.989 20.391 -24.243 1.00 0.00 C ATOM 1666 CG1 VAL A 106 0.117 20.699 -25.241 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -0.923 18.940 -23.792 1.00 0.00 C ATOM 0 H VAL A 106 -0.570 23.099 -24.117 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.652 21.044 -22.296 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.947 20.550 -24.738 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.039 20.021 -26.091 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.018 21.728 -25.587 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.087 20.569 -24.761 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.986 18.286 -24.661 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.018 18.763 -23.272 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.754 18.730 -23.119 1.00 0.00 H new ATOM 1677 N GLU A 107 0.583 20.448 -21.331 1.00 0.00 N ATOM 1678 CA GLU A 107 1.854 20.255 -20.643 1.00 0.00 C ATOM 1679 C GLU A 107 1.962 18.837 -20.088 1.00 0.00 C ATOM 1680 O GLU A 107 1.264 18.474 -19.140 1.00 0.00 O ATOM 1681 CB GLU A 107 2.004 21.271 -19.509 1.00 0.00 C ATOM 1682 CG GLU A 107 3.286 21.105 -18.709 1.00 0.00 C ATOM 1683 CD GLU A 107 3.740 22.398 -18.061 1.00 0.00 C ATOM 1684 OE1 GLU A 107 4.342 23.235 -18.766 1.00 0.00 O ATOM 1685 OE2 GLU A 107 3.496 22.573 -16.849 1.00 0.00 O ATOM 0 H GLU A 107 -0.202 19.946 -20.916 1.00 0.00 H new ATOM 0 HA GLU A 107 2.656 20.406 -21.365 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.974 22.277 -19.927 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.151 21.180 -18.836 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.133 20.350 -17.938 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.074 20.735 -19.365 1.00 0.00 H new ATOM 1692 N THR A 108 2.841 18.039 -20.686 1.00 0.00 N ATOM 1693 CA THR A 108 3.040 16.662 -20.254 1.00 0.00 C ATOM 1694 C THR A 108 4.405 16.482 -19.599 1.00 0.00 C ATOM 1695 O THR A 108 5.438 16.765 -20.208 1.00 0.00 O ATOM 1696 CB THR A 108 2.916 15.680 -21.434 1.00 0.00 C ATOM 1697 OG1 THR A 108 3.721 16.127 -22.531 1.00 0.00 O ATOM 1698 CG2 THR A 108 1.468 15.550 -21.881 1.00 0.00 C ATOM 0 H THR A 108 3.427 18.323 -21.471 1.00 0.00 H new ATOM 0 HA THR A 108 2.259 16.444 -19.525 1.00 0.00 H new ATOM 0 HB THR A 108 3.266 14.703 -21.102 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.563 16.496 -22.190 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.406 14.851 -22.715 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.863 15.181 -21.053 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.095 16.525 -22.196 1.00 0.00 H new ATOM 1706 N ASP A 109 4.403 16.011 -18.357 1.00 0.00 N ATOM 1707 CA ASP A 109 5.643 15.792 -17.621 1.00 0.00 C ATOM 1708 C ASP A 109 6.616 14.945 -18.434 1.00 0.00 C ATOM 1709 O ASP A 109 6.204 14.104 -19.233 1.00 0.00 O ATOM 1710 CB ASP A 109 5.352 15.113 -16.281 1.00 0.00 C ATOM 1711 CG ASP A 109 5.129 13.621 -16.425 1.00 0.00 C ATOM 1712 OD1 ASP A 109 4.309 13.222 -17.279 1.00 0.00 O ATOM 1713 OD2 ASP A 109 5.776 12.851 -15.685 1.00 0.00 O ATOM 0 H ASP A 109 3.557 15.774 -17.839 1.00 0.00 H new ATOM 0 HA ASP A 109 6.103 16.763 -17.436 1.00 0.00 H new ATOM 0 HB2 ASP A 109 6.184 15.289 -15.599 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.470 15.568 -15.831 1.00 0.00 H new ATOM 1718 N MET A 110 7.908 15.172 -18.225 1.00 0.00 N ATOM 1719 CA MET A 110 8.940 14.429 -18.939 1.00 0.00 C ATOM 1720 C MET A 110 10.269 14.491 -18.193 1.00 0.00 C ATOM 1721 O MET A 110 10.580 15.487 -17.539 1.00 0.00 O ATOM 1722 CB MET A 110 9.110 14.982 -20.355 1.00 0.00 C ATOM 1723 CG MET A 110 9.340 16.484 -20.397 1.00 0.00 C ATOM 1724 SD MET A 110 10.328 16.997 -21.815 1.00 0.00 S ATOM 1725 CE MET A 110 9.129 17.958 -22.734 1.00 0.00 C ATOM 0 H MET A 110 8.266 15.864 -17.567 1.00 0.00 H new ATOM 0 HA MET A 110 8.626 13.387 -19.000 1.00 0.00 H new ATOM 0 HB2 MET A 110 9.951 14.480 -20.834 1.00 0.00 H new ATOM 0 HB3 MET A 110 8.221 14.742 -20.939 1.00 0.00 H new ATOM 0 HG2 MET A 110 8.377 16.994 -20.426 1.00 0.00 H new ATOM 0 HG3 MET A 110 9.839 16.797 -19.480 1.00 0.00 H new ATOM 0 HE1 MET A 110 9.592 18.345 -23.642 1.00 0.00 H new ATOM 0 HE2 MET A 110 8.282 17.325 -22.999 1.00 0.00 H new ATOM 0 HE3 MET A 110 8.782 18.790 -22.121 1.00 0.00 H new TER 1735 MET A 110