USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 973 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 72 GLN :FLIP amide:sc= -1.17 F(o=-1.7,f=-0.32) USER MOD Set 1.2: A 150 TYR OH : rot -70:sc= 0.849 USER MOD Set 2.1: A 66 TYR OH : rot 180:sc= 0.396 USER MOD Set 2.2: A 122 LYS NZ :NH3+ -104:sc= 0.41 (180deg=-0.238) USER MOD Set 3.1: A 99 ASN :FLIP amide:sc= 0.146 F(o=-0.44,f=0.12) USER MOD Set 3.2: A 113 ASN : amide:sc= -0.0235 K(o=0.12,f=-1.7) USER MOD Set 4.1: A 96 THR OG1 : rot -109:sc= 0.626 USER MOD Set 4.2: A 114 HIS : no HD1:sc= 0.382 K(o=1,f=-3.1) USER MOD Set 5.1: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -83:sc= 0.687 USER MOD Single : A 52 CYS SG : rot -140:sc= -1.54 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 60 THR OG1 : rot -55:sc= 0.0693 USER MOD Single : A 61 GLN :FLIP amide:sc= 0.177 F(o=-2.3!,f=0.18) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.461 USER MOD Single : A 67 ASN : amide:sc= -2.95! C(o=-2.9!,f=-4.6!) USER MOD Single : A 68 CYS SG : rot -139:sc= 0.406 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.215 K(o=-0.22,f=-3.4!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.5!) USER MOD Single : A 77 ASN : amide:sc=-0.00513 X(o=-0.0051,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.78 K(o=-0.78,f=-5.1!) USER MOD Single : A 80 ASN : amide:sc= -4.5! C(o=-4.5!,f=-7.5!) USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0284) USER MOD Single : A 86 GLN : amide:sc= -1.15 K(o=-1.1,f=-5.2!) USER MOD Single : A 89 GLN : amide:sc= -0.0773 K(o=-0.077,f=-1.7) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 97 CYS SG : rot 119:sc= 0.143 USER MOD Single : A 109 GLN : amide:sc= 0.0117 K(o=0.012,f=-0.93) USER MOD Single : A 110 SER OG : rot 17:sc= 0.746! USER MOD Single : A 111 LYS NZ :NH3+ -132:sc= -0.366 (180deg=-1.52!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0567) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot -73:sc= 1.35 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.092) USER MOD Single : A 136 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.18) USER MOD Single : A 142 HIS :FLIP no HD1:sc= -7.51! C(o=-8.1!,f=-7.5!) USER MOD Single : A 145 SER OG : rot 32:sc= 0.969 USER MOD Single : A 146 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 149 LYS NZ :NH3+ 179:sc= 0.601 (180deg=0.6) USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 156 GLN : amide:sc= -3.13! C(o=-3.1!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 34 -13.218 -9.807 -21.202 1.00 0.00 N ATOM 2 CA GLY A 34 -14.374 -9.337 -21.943 1.00 0.00 C ATOM 3 C GLY A 34 -14.046 -8.169 -22.851 1.00 0.00 C ATOM 4 O GLY A 34 -12.918 -8.044 -23.329 1.00 0.00 O ATOM 0 HA2 GLY A 34 -14.776 -10.155 -22.540 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.155 -9.040 -21.242 1.00 0.00 H new ATOM 8 N SER A 35 -15.033 -7.313 -23.092 1.00 0.00 N ATOM 9 CA SER A 35 -14.845 -6.152 -23.955 1.00 0.00 C ATOM 10 C SER A 35 -15.592 -4.941 -23.405 1.00 0.00 C ATOM 11 O SER A 35 -16.422 -5.065 -22.504 1.00 0.00 O ATOM 12 CB SER A 35 -15.325 -6.461 -25.374 1.00 0.00 C ATOM 13 OG SER A 35 -14.455 -7.375 -26.019 1.00 0.00 O ATOM 0 H SER A 35 -15.971 -7.401 -22.702 1.00 0.00 H new ATOM 0 HA SER A 35 -13.781 -5.919 -23.983 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.332 -6.876 -25.338 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.381 -5.538 -25.951 1.00 0.00 H new ATOM 0 HG SER A 35 -14.785 -7.558 -26.924 1.00 0.00 H new ATOM 19 N SER A 36 -15.292 -3.769 -23.956 1.00 0.00 N ATOM 20 CA SER A 36 -15.931 -2.533 -23.519 1.00 0.00 C ATOM 21 C SER A 36 -16.352 -1.687 -24.717 1.00 0.00 C ATOM 22 O SER A 36 -15.990 -1.979 -25.856 1.00 0.00 O ATOM 23 CB SER A 36 -14.985 -1.733 -22.622 1.00 0.00 C ATOM 24 OG SER A 36 -13.793 -1.395 -23.312 1.00 0.00 O ATOM 0 H SER A 36 -14.611 -3.649 -24.706 1.00 0.00 H new ATOM 0 HA SER A 36 -16.823 -2.796 -22.950 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.482 -0.825 -22.282 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.742 -2.315 -21.733 1.00 0.00 H new ATOM 0 HG SER A 36 -13.205 -0.883 -22.718 1.00 0.00 H new ATOM 30 N GLY A 37 -17.120 -0.635 -24.450 1.00 0.00 N ATOM 31 CA GLY A 37 -17.579 0.239 -25.515 1.00 0.00 C ATOM 32 C GLY A 37 -16.437 0.949 -26.214 1.00 0.00 C ATOM 33 O GLY A 37 -15.348 0.394 -26.360 1.00 0.00 O ATOM 0 H GLY A 37 -17.433 -0.372 -23.515 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -18.140 -0.345 -26.244 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -18.265 0.979 -25.103 1.00 0.00 H new ATOM 37 N SER A 38 -16.685 2.180 -26.648 1.00 0.00 N ATOM 38 CA SER A 38 -15.671 2.966 -27.341 1.00 0.00 C ATOM 39 C SER A 38 -14.789 3.714 -26.345 1.00 0.00 C ATOM 40 O SER A 38 -15.267 4.558 -25.588 1.00 0.00 O ATOM 41 CB SER A 38 -16.331 3.958 -28.300 1.00 0.00 C ATOM 42 OG SER A 38 -15.383 4.505 -29.200 1.00 0.00 O ATOM 0 H SER A 38 -17.580 2.655 -26.532 1.00 0.00 H new ATOM 0 HA SER A 38 -15.044 2.282 -27.913 1.00 0.00 H new ATOM 0 HB2 SER A 38 -17.121 3.457 -28.859 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.802 4.760 -27.731 1.00 0.00 H new ATOM 0 HG SER A 38 -15.830 5.135 -29.803 1.00 0.00 H new ATOM 48 N SER A 39 -13.498 3.396 -26.353 1.00 0.00 N ATOM 49 CA SER A 39 -12.549 4.034 -25.449 1.00 0.00 C ATOM 50 C SER A 39 -11.150 4.056 -26.057 1.00 0.00 C ATOM 51 O SER A 39 -10.900 3.437 -27.090 1.00 0.00 O ATOM 52 CB SER A 39 -12.522 3.303 -24.105 1.00 0.00 C ATOM 53 OG SER A 39 -11.811 4.049 -23.132 1.00 0.00 O ATOM 0 H SER A 39 -13.086 2.701 -26.975 1.00 0.00 H new ATOM 0 HA SER A 39 -12.873 5.062 -25.289 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.542 3.130 -23.761 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.057 2.325 -24.229 1.00 0.00 H new ATOM 0 HG SER A 39 -11.810 3.561 -22.282 1.00 0.00 H new ATOM 59 N GLY A 40 -10.239 4.775 -25.407 1.00 0.00 N ATOM 60 CA GLY A 40 -8.877 4.865 -25.897 1.00 0.00 C ATOM 61 C GLY A 40 -8.151 6.088 -25.372 1.00 0.00 C ATOM 62 O GLY A 40 -7.868 7.020 -26.125 1.00 0.00 O ATOM 0 H GLY A 40 -10.421 5.297 -24.550 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.330 3.969 -25.606 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.887 4.892 -26.987 1.00 0.00 H new ATOM 66 N ALA A 41 -7.851 6.086 -24.078 1.00 0.00 N ATOM 67 CA ALA A 41 -7.155 7.204 -23.453 1.00 0.00 C ATOM 68 C ALA A 41 -6.331 6.739 -22.257 1.00 0.00 C ATOM 69 O ALA A 41 -6.551 5.650 -21.728 1.00 0.00 O ATOM 70 CB ALA A 41 -8.149 8.275 -23.028 1.00 0.00 C ATOM 0 H ALA A 41 -8.079 5.322 -23.441 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.472 7.630 -24.188 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.615 9.103 -22.563 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.690 8.637 -23.902 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.856 7.853 -22.314 1.00 0.00 H new ATOM 76 N GLU A 42 -5.384 7.571 -21.837 1.00 0.00 N ATOM 77 CA GLU A 42 -4.527 7.242 -20.704 1.00 0.00 C ATOM 78 C GLU A 42 -5.355 7.025 -19.441 1.00 0.00 C ATOM 79 O GLU A 42 -5.900 7.970 -18.871 1.00 0.00 O ATOM 80 CB GLU A 42 -3.503 8.355 -20.470 1.00 0.00 C ATOM 81 CG GLU A 42 -2.289 8.266 -21.380 1.00 0.00 C ATOM 82 CD GLU A 42 -2.567 8.786 -22.777 1.00 0.00 C ATOM 83 OE1 GLU A 42 -2.772 10.009 -22.924 1.00 0.00 O ATOM 84 OE2 GLU A 42 -2.581 7.970 -23.722 1.00 0.00 O ATOM 0 H GLU A 42 -5.191 8.477 -22.264 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.000 6.316 -20.937 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.988 9.320 -20.618 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.172 8.320 -19.432 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.469 8.834 -20.942 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.961 7.228 -21.441 1.00 0.00 H new ATOM 91 N LYS A 43 -5.446 5.772 -19.009 1.00 0.00 N ATOM 92 CA LYS A 43 -6.206 5.427 -17.813 1.00 0.00 C ATOM 93 C LYS A 43 -5.293 4.856 -16.733 1.00 0.00 C ATOM 94 O LYS A 43 -4.839 3.716 -16.830 1.00 0.00 O ATOM 95 CB LYS A 43 -7.303 4.416 -18.155 1.00 0.00 C ATOM 96 CG LYS A 43 -8.586 5.057 -18.657 1.00 0.00 C ATOM 97 CD LYS A 43 -9.791 4.170 -18.395 1.00 0.00 C ATOM 98 CE LYS A 43 -10.187 4.186 -16.927 1.00 0.00 C ATOM 99 NZ LYS A 43 -11.108 5.313 -16.612 1.00 0.00 N ATOM 0 H LYS A 43 -5.002 4.977 -19.470 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.666 6.338 -17.430 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.929 3.729 -18.914 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.526 3.821 -17.269 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.729 6.020 -18.167 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.502 5.252 -19.726 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.631 4.507 -19.003 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.565 3.148 -18.701 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.668 3.242 -16.670 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.292 4.266 -16.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.354 5.288 -15.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.640 6.215 -16.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.974 5.223 -17.181 1.00 0.00 H new ATOM 113 N ARG A 44 -5.029 5.656 -15.705 1.00 0.00 N ATOM 114 CA ARG A 44 -4.170 5.229 -14.607 1.00 0.00 C ATOM 115 C ARG A 44 -4.773 4.032 -13.879 1.00 0.00 C ATOM 116 O ARG A 44 -5.953 4.035 -13.529 1.00 0.00 O ATOM 117 CB ARG A 44 -3.953 6.381 -13.624 1.00 0.00 C ATOM 118 CG ARG A 44 -2.622 6.316 -12.893 1.00 0.00 C ATOM 119 CD ARG A 44 -2.235 7.670 -12.318 1.00 0.00 C ATOM 120 NE ARG A 44 -0.820 7.729 -11.961 1.00 0.00 N ATOM 121 CZ ARG A 44 -0.315 7.173 -10.866 1.00 0.00 C ATOM 122 NH1 ARG A 44 -1.104 6.519 -10.026 1.00 0.00 N ATOM 123 NH2 ARG A 44 0.984 7.270 -10.610 1.00 0.00 N ATOM 0 H ARG A 44 -5.397 6.602 -15.610 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.209 4.931 -15.025 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.015 7.325 -14.165 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.760 6.379 -12.892 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.683 5.582 -12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.846 5.975 -13.578 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.458 8.450 -13.046 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.840 7.875 -11.435 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.185 8.224 -12.587 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.102 6.442 -10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.713 6.093 -9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.595 7.772 -11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.371 6.843 -9.769 1.00 0.00 H new ATOM 137 N ILE A 45 -3.954 3.009 -13.654 1.00 0.00 N ATOM 138 CA ILE A 45 -4.407 1.805 -12.968 1.00 0.00 C ATOM 139 C ILE A 45 -3.440 1.409 -11.857 1.00 0.00 C ATOM 140 O ILE A 45 -2.223 1.512 -12.015 1.00 0.00 O ATOM 141 CB ILE A 45 -4.561 0.625 -13.944 1.00 0.00 C ATOM 142 CG1 ILE A 45 -5.475 1.013 -15.108 1.00 0.00 C ATOM 143 CG2 ILE A 45 -5.109 -0.595 -13.218 1.00 0.00 C ATOM 144 CD1 ILE A 45 -6.907 1.268 -14.694 1.00 0.00 C ATOM 0 H ILE A 45 -2.974 2.990 -13.937 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.380 2.036 -12.535 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.579 0.375 -14.345 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.079 1.908 -15.587 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.457 0.218 -15.854 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.212 -1.421 -13.922 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.424 -0.882 -12.420 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.084 -0.357 -12.792 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.496 1.538 -15.570 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.321 0.367 -14.242 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.937 2.083 -13.971 1.00 0.00 H new ATOM 156 N ILE A 46 -3.989 0.955 -10.736 1.00 0.00 N ATOM 157 CA ILE A 46 -3.174 0.540 -9.601 1.00 0.00 C ATOM 158 C ILE A 46 -3.324 -0.953 -9.333 1.00 0.00 C ATOM 159 O ILE A 46 -4.437 -1.477 -9.284 1.00 0.00 O ATOM 160 CB ILE A 46 -3.549 1.319 -8.325 1.00 0.00 C ATOM 161 CG1 ILE A 46 -3.478 2.825 -8.582 1.00 0.00 C ATOM 162 CG2 ILE A 46 -2.630 0.928 -7.178 1.00 0.00 C ATOM 163 CD1 ILE A 46 -2.096 3.310 -8.961 1.00 0.00 C ATOM 0 H ILE A 46 -4.994 0.865 -10.589 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.138 0.758 -9.860 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.572 1.065 -8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.176 3.082 -9.379 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.807 3.354 -7.687 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.907 1.486 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.725 -0.140 -6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.598 1.157 -7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.121 4.387 -9.128 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.398 3.084 -8.155 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.772 2.809 -9.873 1.00 0.00 H new ATOM 175 N ARG A 47 -2.196 -1.634 -9.159 1.00 0.00 N ATOM 176 CA ARG A 47 -2.201 -3.068 -8.895 1.00 0.00 C ATOM 177 C ARG A 47 -1.886 -3.352 -7.430 1.00 0.00 C ATOM 178 O ARG A 47 -0.971 -2.763 -6.855 1.00 0.00 O ATOM 179 CB ARG A 47 -1.185 -3.776 -9.793 1.00 0.00 C ATOM 180 CG ARG A 47 -1.769 -4.257 -11.111 1.00 0.00 C ATOM 181 CD ARG A 47 -3.054 -5.043 -10.898 1.00 0.00 C ATOM 182 NE ARG A 47 -3.256 -6.052 -11.934 1.00 0.00 N ATOM 183 CZ ARG A 47 -4.429 -6.624 -12.184 1.00 0.00 C ATOM 184 NH1 ARG A 47 -5.499 -6.286 -11.477 1.00 0.00 N ATOM 185 NH2 ARG A 47 -4.534 -7.534 -13.143 1.00 0.00 N ATOM 0 H ARG A 47 -1.267 -1.216 -9.196 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.198 -3.449 -9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.358 -3.096 -9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.770 -4.629 -9.256 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.968 -3.401 -11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.040 -4.882 -11.626 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.026 -5.527 -9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.901 -4.357 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.453 -6.333 -12.496 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.423 -5.586 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.398 -6.726 -11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.714 -7.796 -13.690 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.435 -7.972 -13.334 1.00 0.00 H new ATOM 199 N VAL A 48 -2.652 -4.259 -6.830 1.00 0.00 N ATOM 200 CA VAL A 48 -2.454 -4.622 -5.432 1.00 0.00 C ATOM 201 C VAL A 48 -1.110 -5.310 -5.228 1.00 0.00 C ATOM 202 O VAL A 48 -0.893 -6.426 -5.702 1.00 0.00 O ATOM 203 CB VAL A 48 -3.576 -5.551 -4.930 1.00 0.00 C ATOM 204 CG1 VAL A 48 -3.385 -5.869 -3.455 1.00 0.00 C ATOM 205 CG2 VAL A 48 -4.938 -4.921 -5.176 1.00 0.00 C ATOM 0 H VAL A 48 -3.415 -4.755 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.475 -3.696 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.528 -6.486 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.187 -6.526 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.425 -6.364 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.407 -4.945 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.719 -5.590 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.001 -3.971 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.072 -4.749 -6.244 1.00 0.00 H new ATOM 215 N ASP A 49 -0.209 -4.639 -4.519 1.00 0.00 N ATOM 216 CA ASP A 49 1.116 -5.187 -4.250 1.00 0.00 C ATOM 217 C ASP A 49 1.053 -6.702 -4.083 1.00 0.00 C ATOM 218 O ASP A 49 0.114 -7.249 -3.505 1.00 0.00 O ATOM 219 CB ASP A 49 1.710 -4.547 -2.994 1.00 0.00 C ATOM 220 CG ASP A 49 3.219 -4.420 -3.068 1.00 0.00 C ATOM 221 OD1 ASP A 49 3.719 -3.861 -4.066 1.00 0.00 O ATOM 222 OD2 ASP A 49 3.900 -4.880 -2.127 1.00 0.00 O ATOM 0 H ASP A 49 -0.372 -3.715 -4.120 1.00 0.00 H new ATOM 0 HA ASP A 49 1.757 -4.960 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.272 -3.559 -2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.441 -5.145 -2.123 1.00 0.00 H new ATOM 227 N PRO A 50 2.077 -7.397 -4.601 1.00 0.00 N ATOM 228 CA PRO A 50 2.162 -8.858 -4.522 1.00 0.00 C ATOM 229 C PRO A 50 2.420 -9.348 -3.101 1.00 0.00 C ATOM 230 O PRO A 50 1.818 -10.324 -2.651 1.00 0.00 O ATOM 231 CB PRO A 50 3.349 -9.194 -5.427 1.00 0.00 C ATOM 232 CG PRO A 50 4.188 -7.963 -5.424 1.00 0.00 C ATOM 233 CD PRO A 50 3.231 -6.809 -5.302 1.00 0.00 C ATOM 0 HA PRO A 50 1.230 -9.337 -4.823 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.904 -10.052 -5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.019 -9.446 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.894 -7.974 -4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.774 -7.888 -6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.666 -5.984 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.950 -6.415 -6.279 1.00 0.00 H new ATOM 241 N THR A 51 3.318 -8.665 -2.398 1.00 0.00 N ATOM 242 CA THR A 51 3.656 -9.032 -1.029 1.00 0.00 C ATOM 243 C THR A 51 2.405 -9.146 -0.166 1.00 0.00 C ATOM 244 O THR A 51 2.329 -9.993 0.725 1.00 0.00 O ATOM 245 CB THR A 51 4.613 -8.006 -0.393 1.00 0.00 C ATOM 246 OG1 THR A 51 4.058 -6.690 -0.494 1.00 0.00 O ATOM 247 CG2 THR A 51 5.973 -8.041 -1.072 1.00 0.00 C ATOM 0 H THR A 51 3.824 -7.854 -2.755 1.00 0.00 H new ATOM 0 HA THR A 51 4.152 -10.001 -1.074 1.00 0.00 H new ATOM 0 HB THR A 51 4.742 -8.266 0.658 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.251 -6.321 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.631 -7.308 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.406 -9.036 -0.968 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.858 -7.804 -2.130 1.00 0.00 H new ATOM 255 N CYS A 52 1.426 -8.290 -0.435 1.00 0.00 N ATOM 256 CA CYS A 52 0.176 -8.295 0.318 1.00 0.00 C ATOM 257 C CYS A 52 -0.626 -9.560 0.032 1.00 0.00 C ATOM 258 O CYS A 52 -0.727 -10.016 -1.107 1.00 0.00 O ATOM 259 CB CYS A 52 -0.656 -7.059 -0.027 1.00 0.00 C ATOM 260 SG CYS A 52 -2.331 -7.085 0.653 1.00 0.00 S ATOM 0 H CYS A 52 1.473 -7.583 -1.169 1.00 0.00 H new ATOM 0 HA CYS A 52 0.420 -8.274 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.140 -6.172 0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.717 -6.966 -1.111 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.163 -6.609 -0.225 1.00 0.00 H new ATOM 266 N PRO A 53 -1.209 -10.143 1.090 1.00 0.00 N ATOM 267 CA PRO A 53 -2.012 -11.365 0.977 1.00 0.00 C ATOM 268 C PRO A 53 -3.334 -11.125 0.257 1.00 0.00 C ATOM 269 O PRO A 53 -3.691 -11.859 -0.666 1.00 0.00 O ATOM 270 CB PRO A 53 -2.261 -11.760 2.435 1.00 0.00 C ATOM 271 CG PRO A 53 -2.157 -10.484 3.197 1.00 0.00 C ATOM 272 CD PRO A 53 -1.130 -9.655 2.477 1.00 0.00 C ATOM 0 HA PRO A 53 -1.506 -12.134 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.243 -12.216 2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.526 -12.487 2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.118 -9.971 3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -1.856 -10.669 4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.355 -8.591 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.134 -9.796 2.896 1.00 0.00 H new ATOM 280 N LEU A 54 -4.056 -10.096 0.683 1.00 0.00 N ATOM 281 CA LEU A 54 -5.340 -9.759 0.077 1.00 0.00 C ATOM 282 C LEU A 54 -5.263 -9.842 -1.444 1.00 0.00 C ATOM 283 O LEU A 54 -6.222 -10.244 -2.103 1.00 0.00 O ATOM 284 CB LEU A 54 -5.774 -8.355 0.501 1.00 0.00 C ATOM 285 CG LEU A 54 -5.898 -8.117 2.007 1.00 0.00 C ATOM 286 CD1 LEU A 54 -6.248 -6.664 2.291 1.00 0.00 C ATOM 287 CD2 LEU A 54 -6.942 -9.046 2.609 1.00 0.00 C ATOM 0 H LEU A 54 -3.775 -9.480 1.446 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.078 -10.481 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.059 -7.638 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.737 -8.139 0.039 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.936 -8.335 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.332 -6.514 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.466 -6.017 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.198 -6.419 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.017 -8.863 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.908 -8.860 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.649 -10.082 2.437 1.00 0.00 H new ATOM 299 N SER A 55 -4.115 -9.460 -1.995 1.00 0.00 N ATOM 300 CA SER A 55 -3.913 -9.490 -3.439 1.00 0.00 C ATOM 301 C SER A 55 -4.594 -10.707 -4.058 1.00 0.00 C ATOM 302 O SER A 55 -5.441 -10.575 -4.941 1.00 0.00 O ATOM 303 CB SER A 55 -2.418 -9.506 -3.766 1.00 0.00 C ATOM 304 OG SER A 55 -2.197 -9.842 -5.124 1.00 0.00 O ATOM 0 H SER A 55 -3.311 -9.126 -1.463 1.00 0.00 H new ATOM 0 HA SER A 55 -4.361 -8.591 -3.862 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.986 -8.528 -3.555 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.910 -10.224 -3.123 1.00 0.00 H new ATOM 0 HG SER A 55 -1.234 -9.844 -5.308 1.00 0.00 H new ATOM 310 N SER A 56 -4.216 -11.891 -3.587 1.00 0.00 N ATOM 311 CA SER A 56 -4.787 -13.133 -4.096 1.00 0.00 C ATOM 312 C SER A 56 -6.311 -13.086 -4.058 1.00 0.00 C ATOM 313 O SER A 56 -6.978 -13.444 -5.028 1.00 0.00 O ATOM 314 CB SER A 56 -4.281 -14.324 -3.280 1.00 0.00 C ATOM 315 OG SER A 56 -2.881 -14.485 -3.427 1.00 0.00 O ATOM 0 H SER A 56 -3.517 -12.017 -2.854 1.00 0.00 H new ATOM 0 HA SER A 56 -4.471 -13.252 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.525 -14.178 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.790 -15.232 -3.602 1.00 0.00 H new ATOM 0 HG SER A 56 -2.582 -15.251 -2.894 1.00 0.00 H new ATOM 321 N ASN A 57 -6.855 -12.642 -2.930 1.00 0.00 N ATOM 322 CA ASN A 57 -8.301 -12.549 -2.764 1.00 0.00 C ATOM 323 C ASN A 57 -8.915 -11.649 -3.833 1.00 0.00 C ATOM 324 O ASN A 57 -8.506 -10.504 -4.025 1.00 0.00 O ATOM 325 CB ASN A 57 -8.642 -12.011 -1.372 1.00 0.00 C ATOM 326 CG ASN A 57 -8.514 -13.072 -0.296 1.00 0.00 C ATOM 327 OD1 ASN A 57 -9.420 -13.881 -0.096 1.00 0.00 O ATOM 328 ND2 ASN A 57 -7.386 -13.071 0.405 1.00 0.00 N ATOM 0 H ASN A 57 -6.317 -12.341 -2.117 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.719 -13.550 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.982 -11.176 -1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.660 -11.621 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.244 -13.760 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.662 -12.381 0.205 1.00 0.00 H new ATOM 335 N PRO A 58 -9.921 -12.179 -4.545 1.00 0.00 N ATOM 336 CA PRO A 58 -10.613 -11.441 -5.605 1.00 0.00 C ATOM 337 C PRO A 58 -11.469 -10.304 -5.057 1.00 0.00 C ATOM 338 O PRO A 58 -12.081 -10.430 -3.998 1.00 0.00 O ATOM 339 CB PRO A 58 -11.495 -12.506 -6.261 1.00 0.00 C ATOM 340 CG PRO A 58 -11.717 -13.523 -5.194 1.00 0.00 C ATOM 341 CD PRO A 58 -10.460 -13.537 -4.369 1.00 0.00 C ATOM 0 HA PRO A 58 -9.914 -10.964 -6.292 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.438 -12.082 -6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.006 -12.945 -7.131 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.582 -13.265 -4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.912 -14.505 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.669 -13.753 -3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.759 -14.296 -4.717 1.00 0.00 H new ATOM 349 N GLY A 59 -11.507 -9.193 -5.787 1.00 0.00 N ATOM 350 CA GLY A 59 -12.291 -8.050 -5.357 1.00 0.00 C ATOM 351 C GLY A 59 -11.453 -7.005 -4.647 1.00 0.00 C ATOM 352 O GLY A 59 -11.604 -5.807 -4.888 1.00 0.00 O ATOM 0 H GLY A 59 -11.009 -9.064 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.773 -7.597 -6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.085 -8.388 -4.691 1.00 0.00 H new ATOM 356 N THR A 60 -10.565 -7.459 -3.767 1.00 0.00 N ATOM 357 CA THR A 60 -9.702 -6.555 -3.018 1.00 0.00 C ATOM 358 C THR A 60 -8.834 -5.721 -3.953 1.00 0.00 C ATOM 359 O THR A 60 -7.830 -6.203 -4.477 1.00 0.00 O ATOM 360 CB THR A 60 -8.791 -7.327 -2.044 1.00 0.00 C ATOM 361 OG1 THR A 60 -9.587 -8.086 -1.126 1.00 0.00 O ATOM 362 CG2 THR A 60 -7.891 -6.373 -1.273 1.00 0.00 C ATOM 0 H THR A 60 -10.425 -8.447 -3.556 1.00 0.00 H new ATOM 0 HA THR A 60 -10.356 -5.895 -2.448 1.00 0.00 H new ATOM 0 HB THR A 60 -8.164 -8.002 -2.626 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.220 -7.491 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.257 -6.941 -0.592 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.266 -5.817 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.504 -5.676 -0.702 1.00 0.00 H new ATOM 370 N GLN A 61 -9.228 -4.469 -4.158 1.00 0.00 N ATOM 371 CA GLN A 61 -8.485 -3.568 -5.032 1.00 0.00 C ATOM 372 C GLN A 61 -7.935 -2.381 -4.248 1.00 0.00 C ATOM 373 O GLN A 61 -8.284 -2.175 -3.086 1.00 0.00 O ATOM 374 CB GLN A 61 -9.380 -3.072 -6.169 1.00 0.00 C ATOM 375 CG GLN A 61 -10.361 -1.991 -5.744 1.00 0.00 C ATOM 376 CD GLN A 61 -11.649 -2.560 -5.182 1.00 0.00 C ATOM 377 OE1 GLN A 61 -11.686 -2.756 -3.869 1.00 0.00 O flip ATOM 378 NE2 GLN A 61 -12.600 -2.820 -5.919 1.00 0.00 N flip ATOM 0 H GLN A 61 -10.057 -4.055 -3.731 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.647 -4.122 -5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.752 -2.686 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.936 -3.916 -6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.892 -1.354 -4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.591 -1.358 -6.601 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.528 -2.653 -6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -13.460 -3.202 -5.526 1.00 0.00 H new ATOM 387 N VAL A 62 -7.071 -1.602 -4.892 1.00 0.00 N ATOM 388 CA VAL A 62 -6.472 -0.435 -4.256 1.00 0.00 C ATOM 389 C VAL A 62 -7.408 0.767 -4.321 1.00 0.00 C ATOM 390 O VAL A 62 -7.529 1.418 -5.359 1.00 0.00 O ATOM 391 CB VAL A 62 -5.131 -0.063 -4.915 1.00 0.00 C ATOM 392 CG1 VAL A 62 -4.617 1.261 -4.371 1.00 0.00 C ATOM 393 CG2 VAL A 62 -4.108 -1.169 -4.702 1.00 0.00 C ATOM 0 H VAL A 62 -6.770 -1.758 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.295 -0.699 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.292 0.050 -5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.669 1.507 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.343 2.047 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.470 1.180 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.166 -0.889 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.949 -1.316 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.475 -2.095 -5.145 1.00 0.00 H new ATOM 403 N TYR A 63 -8.068 1.056 -3.205 1.00 0.00 N ATOM 404 CA TYR A 63 -8.996 2.179 -3.134 1.00 0.00 C ATOM 405 C TYR A 63 -8.417 3.408 -3.828 1.00 0.00 C ATOM 406 O TYR A 63 -7.442 3.995 -3.360 1.00 0.00 O ATOM 407 CB TYR A 63 -9.321 2.508 -1.676 1.00 0.00 C ATOM 408 CG TYR A 63 -10.204 3.724 -1.513 1.00 0.00 C ATOM 409 CD1 TYR A 63 -11.563 3.664 -1.799 1.00 0.00 C ATOM 410 CD2 TYR A 63 -9.680 4.934 -1.074 1.00 0.00 C ATOM 411 CE1 TYR A 63 -12.373 4.773 -1.651 1.00 0.00 C ATOM 412 CE2 TYR A 63 -10.483 6.047 -0.922 1.00 0.00 C ATOM 413 CZ TYR A 63 -11.829 5.962 -1.212 1.00 0.00 C ATOM 414 OH TYR A 63 -12.632 7.070 -1.064 1.00 0.00 O ATOM 0 H TYR A 63 -7.978 0.528 -2.337 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.914 1.893 -3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.812 1.649 -1.219 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.390 2.670 -1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.993 2.735 -2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.626 5.005 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -13.427 4.709 -1.878 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.060 6.979 -0.578 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.093 7.824 -0.746 1.00 0.00 H new ATOM 424 N GLU A 64 -9.025 3.790 -4.946 1.00 0.00 N ATOM 425 CA GLU A 64 -8.570 4.949 -5.705 1.00 0.00 C ATOM 426 C GLU A 64 -7.108 4.793 -6.112 1.00 0.00 C ATOM 427 O GLU A 64 -6.644 3.686 -6.389 1.00 0.00 O ATOM 428 CB GLU A 64 -8.748 6.227 -4.882 1.00 0.00 C ATOM 429 CG GLU A 64 -10.097 6.322 -4.189 1.00 0.00 C ATOM 430 CD GLU A 64 -10.563 7.754 -4.013 1.00 0.00 C ATOM 431 OE1 GLU A 64 -9.930 8.492 -3.230 1.00 0.00 O ATOM 432 OE2 GLU A 64 -11.561 8.136 -4.659 1.00 0.00 O ATOM 0 H GLU A 64 -9.834 3.314 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.175 5.020 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.959 6.279 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.623 7.090 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.838 5.771 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.034 5.842 -3.213 1.00 0.00 H new ATOM 439 N ASP A 65 -6.388 5.908 -6.148 1.00 0.00 N ATOM 440 CA ASP A 65 -4.978 5.897 -6.521 1.00 0.00 C ATOM 441 C ASP A 65 -4.095 6.205 -5.316 1.00 0.00 C ATOM 442 O ASP A 65 -3.104 6.928 -5.429 1.00 0.00 O ATOM 443 CB ASP A 65 -4.715 6.911 -7.635 1.00 0.00 C ATOM 444 CG ASP A 65 -5.822 6.934 -8.670 1.00 0.00 C ATOM 445 OD1 ASP A 65 -5.772 6.114 -9.612 1.00 0.00 O ATOM 446 OD2 ASP A 65 -6.739 7.770 -8.539 1.00 0.00 O ATOM 0 H ASP A 65 -6.757 6.832 -5.923 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.731 4.899 -6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.608 7.905 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.770 6.673 -8.123 1.00 0.00 H new ATOM 451 N TYR A 66 -4.460 5.654 -4.164 1.00 0.00 N ATOM 452 CA TYR A 66 -3.703 5.873 -2.938 1.00 0.00 C ATOM 453 C TYR A 66 -2.490 4.950 -2.874 1.00 0.00 C ATOM 454 O TYR A 66 -2.490 3.956 -2.149 1.00 0.00 O ATOM 455 CB TYR A 66 -4.595 5.647 -1.716 1.00 0.00 C ATOM 456 CG TYR A 66 -5.436 6.849 -1.349 1.00 0.00 C ATOM 457 CD1 TYR A 66 -4.871 7.949 -0.715 1.00 0.00 C ATOM 458 CD2 TYR A 66 -6.795 6.885 -1.636 1.00 0.00 C ATOM 459 CE1 TYR A 66 -5.636 9.049 -0.378 1.00 0.00 C ATOM 460 CE2 TYR A 66 -7.567 7.981 -1.304 1.00 0.00 C ATOM 461 CZ TYR A 66 -6.983 9.061 -0.675 1.00 0.00 C ATOM 462 OH TYR A 66 -7.749 10.154 -0.341 1.00 0.00 O ATOM 0 H TYR A 66 -5.276 5.052 -4.054 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.352 6.905 -2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.253 4.799 -1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.969 5.378 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.816 7.944 -0.482 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.256 6.041 -2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.182 9.895 0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.622 7.992 -1.535 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.676 10.002 -0.621 1.00 0.00 H new ATOM 472 N ASN A 67 -1.457 5.287 -3.639 1.00 0.00 N ATOM 473 CA ASN A 67 -0.236 4.490 -3.670 1.00 0.00 C ATOM 474 C ASN A 67 0.973 5.359 -4.001 1.00 0.00 C ATOM 475 O ASN A 67 1.100 5.865 -5.117 1.00 0.00 O ATOM 476 CB ASN A 67 -0.365 3.363 -4.697 1.00 0.00 C ATOM 477 CG ASN A 67 -0.127 3.843 -6.116 1.00 0.00 C ATOM 478 OD1 ASN A 67 -0.639 4.886 -6.524 1.00 0.00 O ATOM 479 ND2 ASN A 67 0.654 3.083 -6.874 1.00 0.00 N ATOM 0 H ASN A 67 -1.441 6.107 -4.246 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.089 4.057 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.349 2.575 -4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.360 2.924 -4.627 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.851 3.355 -7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.057 2.227 -6.493 1.00 0.00 H new ATOM 486 N CYS A 68 1.858 5.527 -3.025 1.00 0.00 N ATOM 487 CA CYS A 68 3.058 6.335 -3.212 1.00 0.00 C ATOM 488 C CYS A 68 4.276 5.651 -2.598 1.00 0.00 C ATOM 489 O CYS A 68 4.202 5.095 -1.502 1.00 0.00 O ATOM 490 CB CYS A 68 2.868 7.719 -2.591 1.00 0.00 C ATOM 491 SG CYS A 68 2.386 7.685 -0.848 1.00 0.00 S ATOM 0 H CYS A 68 1.767 5.115 -2.096 1.00 0.00 H new ATOM 0 HA CYS A 68 3.228 6.446 -4.283 1.00 0.00 H new ATOM 0 HB2 CYS A 68 3.797 8.280 -2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 68 2.108 8.258 -3.157 1.00 0.00 H new ATOM 0 HG CYS A 68 1.481 8.593 -0.630 1.00 0.00 H new ATOM 497 N THR A 69 5.396 5.693 -3.313 1.00 0.00 N ATOM 498 CA THR A 69 6.628 5.076 -2.841 1.00 0.00 C ATOM 499 C THR A 69 7.557 6.110 -2.216 1.00 0.00 C ATOM 500 O THR A 69 7.758 7.193 -2.767 1.00 0.00 O ATOM 501 CB THR A 69 7.372 4.359 -3.984 1.00 0.00 C ATOM 502 OG1 THR A 69 6.548 3.323 -4.531 1.00 0.00 O ATOM 503 CG2 THR A 69 8.681 3.764 -3.489 1.00 0.00 C ATOM 0 H THR A 69 5.474 6.149 -4.222 1.00 0.00 H new ATOM 0 HA THR A 69 6.344 4.343 -2.086 1.00 0.00 H new ATOM 0 HB THR A 69 7.595 5.093 -4.759 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.027 2.873 -5.258 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.188 3.263 -4.314 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.318 4.559 -3.100 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.477 3.043 -2.697 1.00 0.00 H new ATOM 511 N LEU A 70 8.122 5.771 -1.062 1.00 0.00 N ATOM 512 CA LEU A 70 9.031 6.671 -0.361 1.00 0.00 C ATOM 513 C LEU A 70 10.409 6.036 -0.201 1.00 0.00 C ATOM 514 O LEU A 70 10.527 4.830 0.008 1.00 0.00 O ATOM 515 CB LEU A 70 8.462 7.035 1.011 1.00 0.00 C ATOM 516 CG LEU A 70 6.994 7.461 1.038 1.00 0.00 C ATOM 517 CD1 LEU A 70 6.589 7.894 2.438 1.00 0.00 C ATOM 518 CD2 LEU A 70 6.744 8.580 0.037 1.00 0.00 C ATOM 0 H LEU A 70 7.966 4.879 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 70 9.136 7.578 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.582 6.176 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.062 7.844 1.428 1.00 0.00 H new ATOM 0 HG LEU A 70 6.382 6.605 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.541 8.194 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.729 7.064 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.207 8.736 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.694 8.870 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.366 9.439 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.993 8.233 -0.966 1.00 0.00 H new ATOM 530 N ASN A 71 11.448 6.859 -0.299 1.00 0.00 N ATOM 531 CA ASN A 71 12.819 6.378 -0.164 1.00 0.00 C ATOM 532 C ASN A 71 13.523 7.064 1.003 1.00 0.00 C ATOM 533 O ASN A 71 13.205 8.201 1.350 1.00 0.00 O ATOM 534 CB ASN A 71 13.597 6.622 -1.458 1.00 0.00 C ATOM 535 CG ASN A 71 13.525 5.441 -2.407 1.00 0.00 C ATOM 536 OD1 ASN A 71 13.064 5.569 -3.542 1.00 0.00 O ATOM 537 ND2 ASN A 71 13.980 4.282 -1.945 1.00 0.00 N ATOM 0 H ASN A 71 11.367 7.861 -0.471 1.00 0.00 H new ATOM 0 HA ASN A 71 12.784 5.307 0.034 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.202 7.508 -1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.640 6.829 -1.218 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.956 3.452 -2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.353 4.222 -0.998 1.00 0.00 H new ATOM 544 N GLN A 72 14.481 6.365 1.603 1.00 0.00 N ATOM 545 CA GLN A 72 15.230 6.907 2.730 1.00 0.00 C ATOM 546 C GLN A 72 16.676 6.424 2.706 1.00 0.00 C ATOM 547 O GLN A 72 16.957 5.256 2.976 1.00 0.00 O ATOM 548 CB GLN A 72 14.568 6.506 4.050 1.00 0.00 C ATOM 549 CG GLN A 72 15.180 7.180 5.267 1.00 0.00 C ATOM 550 CD GLN A 72 14.505 6.771 6.561 1.00 0.00 C ATOM 551 OE1 GLN A 72 14.461 5.469 6.821 1.00 0.00 O flip ATOM 552 NE2 GLN A 72 14.028 7.615 7.320 1.00 0.00 N flip ATOM 0 H GLN A 72 14.757 5.422 1.327 1.00 0.00 H new ATOM 0 HA GLN A 72 15.228 7.994 2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.507 6.752 4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.640 5.425 4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.240 6.932 5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.111 8.262 5.152 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.084 8.605 7.081 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.577 7.324 8.187 1.00 0.00 H new ATOM 561 N THR A 73 17.592 7.331 2.379 1.00 0.00 N ATOM 562 CA THR A 73 19.009 6.997 2.317 1.00 0.00 C ATOM 563 C THR A 73 19.783 7.675 3.443 1.00 0.00 C ATOM 564 O THR A 73 19.347 8.689 3.985 1.00 0.00 O ATOM 565 CB THR A 73 19.625 7.409 0.966 1.00 0.00 C ATOM 566 OG1 THR A 73 19.179 8.720 0.604 1.00 0.00 O ATOM 567 CG2 THR A 73 19.246 6.419 -0.125 1.00 0.00 C ATOM 0 H THR A 73 17.377 8.302 2.153 1.00 0.00 H new ATOM 0 HA THR A 73 19.084 5.915 2.427 1.00 0.00 H new ATOM 0 HB THR A 73 20.710 7.412 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.576 8.975 -0.255 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.692 6.730 -1.070 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.613 5.427 0.140 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.161 6.389 -0.228 1.00 0.00 H new ATOM 575 N ASN A 74 20.934 7.107 3.788 1.00 0.00 N ATOM 576 CA ASN A 74 21.769 7.657 4.850 1.00 0.00 C ATOM 577 C ASN A 74 23.246 7.398 4.570 1.00 0.00 C ATOM 578 O ASN A 74 23.609 6.367 4.003 1.00 0.00 O ATOM 579 CB ASN A 74 21.380 7.049 6.200 1.00 0.00 C ATOM 580 CG ASN A 74 20.308 7.854 6.909 1.00 0.00 C ATOM 581 OD1 ASN A 74 20.132 9.044 6.643 1.00 0.00 O ATOM 582 ND2 ASN A 74 19.587 7.208 7.817 1.00 0.00 N ATOM 0 H ASN A 74 21.310 6.267 3.348 1.00 0.00 H new ATOM 0 HA ASN A 74 21.607 8.734 4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 74 21.024 6.030 6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 74 22.263 6.986 6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 74 18.852 7.698 8.327 1.00 0.00 H new ATOM 0 HD22 ASN A 74 19.768 6.222 8.005 1.00 0.00 H new ATOM 589 N ILE A 75 24.092 8.340 4.971 1.00 0.00 N ATOM 590 CA ILE A 75 25.530 8.213 4.765 1.00 0.00 C ATOM 591 C ILE A 75 26.141 7.223 5.750 1.00 0.00 C ATOM 592 O ILE A 75 27.111 7.537 6.439 1.00 0.00 O ATOM 593 CB ILE A 75 26.242 9.571 4.910 1.00 0.00 C ATOM 594 CG1 ILE A 75 27.679 9.475 4.395 1.00 0.00 C ATOM 595 CG2 ILE A 75 26.222 10.026 6.362 1.00 0.00 C ATOM 596 CD1 ILE A 75 27.805 9.711 2.906 1.00 0.00 C ATOM 0 H ILE A 75 23.807 9.200 5.440 1.00 0.00 H new ATOM 0 HA ILE A 75 25.672 7.845 3.749 1.00 0.00 H new ATOM 0 HB ILE A 75 25.711 10.310 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 75 28.295 10.203 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 75 28.076 8.488 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 75 26.729 10.987 6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 75 25.190 10.128 6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 75 26.733 9.289 6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 75 28.851 9.628 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 75 27.216 8.967 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 75 27.438 10.708 2.663 1.00 0.00 H new ATOM 608 N GLU A 76 25.568 6.025 5.810 1.00 0.00 N ATOM 609 CA GLU A 76 26.058 4.988 6.711 1.00 0.00 C ATOM 610 C GLU A 76 26.139 3.642 5.998 1.00 0.00 C ATOM 611 O GLU A 76 25.118 3.028 5.690 1.00 0.00 O ATOM 612 CB GLU A 76 25.148 4.875 7.936 1.00 0.00 C ATOM 613 CG GLU A 76 25.393 5.954 8.978 1.00 0.00 C ATOM 614 CD GLU A 76 26.613 5.673 9.833 1.00 0.00 C ATOM 615 OE1 GLU A 76 27.717 5.537 9.267 1.00 0.00 O ATOM 616 OE2 GLU A 76 26.463 5.591 11.070 1.00 0.00 O ATOM 0 H GLU A 76 24.764 5.749 5.246 1.00 0.00 H new ATOM 0 HA GLU A 76 27.060 5.268 7.036 1.00 0.00 H new ATOM 0 HB2 GLU A 76 24.109 4.924 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 76 25.292 3.898 8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 76 25.518 6.915 8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.516 6.040 9.620 1.00 0.00 H new ATOM 623 N ASN A 77 27.361 3.189 5.738 1.00 0.00 N ATOM 624 CA ASN A 77 27.577 1.916 5.060 1.00 0.00 C ATOM 625 C ASN A 77 26.599 1.744 3.901 1.00 0.00 C ATOM 626 O ASN A 77 26.067 0.657 3.681 1.00 0.00 O ATOM 627 CB ASN A 77 27.425 0.757 6.047 1.00 0.00 C ATOM 628 CG ASN A 77 28.617 0.627 6.975 1.00 0.00 C ATOM 629 OD1 ASN A 77 28.511 0.871 8.177 1.00 0.00 O ATOM 630 ND2 ASN A 77 29.760 0.242 6.419 1.00 0.00 N ATOM 0 H ASN A 77 28.217 3.685 5.987 1.00 0.00 H new ATOM 0 HA ASN A 77 28.591 1.913 4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 77 26.522 0.904 6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 77 27.296 -0.173 5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 77 30.597 0.138 6.993 1.00 0.00 H new ATOM 0 HD22 ASN A 77 29.801 0.051 5.418 1.00 0.00 H new ATOM 637 N ASN A 78 26.368 2.825 3.164 1.00 0.00 N ATOM 638 CA ASN A 78 25.454 2.795 2.027 1.00 0.00 C ATOM 639 C ASN A 78 24.157 2.080 2.392 1.00 0.00 C ATOM 640 O ASN A 78 23.753 1.128 1.727 1.00 0.00 O ATOM 641 CB ASN A 78 26.114 2.100 0.834 1.00 0.00 C ATOM 642 CG ASN A 78 27.415 2.763 0.426 1.00 0.00 C ATOM 643 OD1 ASN A 78 28.494 2.191 0.586 1.00 0.00 O ATOM 644 ND2 ASN A 78 27.319 3.977 -0.104 1.00 0.00 N ATOM 0 H ASN A 78 26.801 3.733 3.333 1.00 0.00 H new ATOM 0 HA ASN A 78 25.218 3.824 1.755 1.00 0.00 H new ATOM 0 HB2 ASN A 78 26.304 1.056 1.085 1.00 0.00 H new ATOM 0 HB3 ASN A 78 25.426 2.104 -0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 78 28.160 4.473 -0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 78 26.404 4.413 -0.218 1.00 0.00 H new ATOM 651 N ASN A 79 23.508 2.548 3.454 1.00 0.00 N ATOM 652 CA ASN A 79 22.256 1.954 3.907 1.00 0.00 C ATOM 653 C ASN A 79 21.058 2.693 3.317 1.00 0.00 C ATOM 654 O ASN A 79 20.867 3.883 3.564 1.00 0.00 O ATOM 655 CB ASN A 79 22.181 1.977 5.435 1.00 0.00 C ATOM 656 CG ASN A 79 22.801 0.744 6.063 1.00 0.00 C ATOM 657 OD1 ASN A 79 22.975 -0.281 5.403 1.00 0.00 O ATOM 658 ND2 ASN A 79 23.137 0.837 7.344 1.00 0.00 N ATOM 0 H ASN A 79 23.829 3.336 4.016 1.00 0.00 H new ATOM 0 HA ASN A 79 22.228 0.920 3.563 1.00 0.00 H new ATOM 0 HB2 ASN A 79 22.690 2.866 5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 79 21.138 2.053 5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 79 23.558 0.039 7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 79 22.975 1.706 7.852 1.00 0.00 H new ATOM 665 N ASN A 80 20.255 1.978 2.536 1.00 0.00 N ATOM 666 CA ASN A 80 19.076 2.565 1.910 1.00 0.00 C ATOM 667 C ASN A 80 17.820 1.775 2.267 1.00 0.00 C ATOM 668 O ASN A 80 17.825 0.543 2.259 1.00 0.00 O ATOM 669 CB ASN A 80 19.249 2.611 0.391 1.00 0.00 C ATOM 670 CG ASN A 80 20.483 3.387 -0.027 1.00 0.00 C ATOM 671 OD1 ASN A 80 21.159 3.993 0.803 1.00 0.00 O ATOM 672 ND2 ASN A 80 20.781 3.370 -1.321 1.00 0.00 N ATOM 0 H ASN A 80 20.399 0.991 2.322 1.00 0.00 H new ATOM 0 HA ASN A 80 18.963 3.582 2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.315 1.594 0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 80 18.367 3.067 -0.059 1.00 0.00 H new ATOM 0 HD21 ASN A 80 21.600 3.873 -1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 80 20.191 2.853 -1.973 1.00 0.00 H new ATOM 679 N LYS A 81 16.746 2.491 2.579 1.00 0.00 N ATOM 680 CA LYS A 81 15.482 1.859 2.937 1.00 0.00 C ATOM 681 C LYS A 81 14.345 2.382 2.064 1.00 0.00 C ATOM 682 O LYS A 81 14.534 3.301 1.267 1.00 0.00 O ATOM 683 CB LYS A 81 15.162 2.109 4.413 1.00 0.00 C ATOM 684 CG LYS A 81 16.120 1.419 5.368 1.00 0.00 C ATOM 685 CD LYS A 81 15.851 1.815 6.810 1.00 0.00 C ATOM 686 CE LYS A 81 16.656 3.042 7.210 1.00 0.00 C ATOM 687 NZ LYS A 81 18.088 2.713 7.450 1.00 0.00 N ATOM 0 H LYS A 81 16.725 3.511 2.591 1.00 0.00 H new ATOM 0 HA LYS A 81 15.581 0.787 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.182 3.182 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.148 1.767 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 81 16.025 0.338 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 81 17.146 1.676 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.788 2.017 6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.101 0.984 7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.583 3.795 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.228 3.479 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.565 3.531 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 18.154 1.897 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 18.547 2.482 6.546 1.00 0.00 H new ATOM 701 N PHE A 82 13.165 1.791 2.220 1.00 0.00 N ATOM 702 CA PHE A 82 11.998 2.198 1.447 1.00 0.00 C ATOM 703 C PHE A 82 10.727 2.096 2.285 1.00 0.00 C ATOM 704 O PHE A 82 10.716 1.462 3.340 1.00 0.00 O ATOM 705 CB PHE A 82 11.866 1.334 0.191 1.00 0.00 C ATOM 706 CG PHE A 82 11.399 -0.066 0.473 1.00 0.00 C ATOM 707 CD1 PHE A 82 12.289 -1.030 0.917 1.00 0.00 C ATOM 708 CD2 PHE A 82 10.071 -0.417 0.293 1.00 0.00 C ATOM 709 CE1 PHE A 82 11.863 -2.319 1.178 1.00 0.00 C ATOM 710 CE2 PHE A 82 9.639 -1.704 0.553 1.00 0.00 C ATOM 711 CZ PHE A 82 10.537 -2.656 0.995 1.00 0.00 C ATOM 0 H PHE A 82 12.992 1.028 2.875 1.00 0.00 H new ATOM 0 HA PHE A 82 12.134 3.238 1.151 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.167 1.810 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.831 1.292 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.328 -0.772 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.365 0.323 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.567 -3.061 1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.601 -1.965 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.202 -3.663 1.197 1.00 0.00 H new ATOM 721 N TYR A 83 9.659 2.724 1.807 1.00 0.00 N ATOM 722 CA TYR A 83 8.383 2.706 2.512 1.00 0.00 C ATOM 723 C TYR A 83 7.217 2.758 1.530 1.00 0.00 C ATOM 724 O TYR A 83 7.158 3.631 0.664 1.00 0.00 O ATOM 725 CB TYR A 83 8.298 3.884 3.484 1.00 0.00 C ATOM 726 CG TYR A 83 7.401 3.625 4.673 1.00 0.00 C ATOM 727 CD1 TYR A 83 6.073 3.254 4.500 1.00 0.00 C ATOM 728 CD2 TYR A 83 7.882 3.749 5.971 1.00 0.00 C ATOM 729 CE1 TYR A 83 5.250 3.016 5.583 1.00 0.00 C ATOM 730 CE2 TYR A 83 7.066 3.513 7.061 1.00 0.00 C ATOM 731 CZ TYR A 83 5.751 3.147 6.862 1.00 0.00 C ATOM 732 OH TYR A 83 4.935 2.910 7.944 1.00 0.00 O ATOM 0 H TYR A 83 9.651 3.252 0.934 1.00 0.00 H new ATOM 0 HA TYR A 83 8.320 1.774 3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.300 4.123 3.841 1.00 0.00 H new ATOM 0 HB3 TYR A 83 7.933 4.760 2.948 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.677 3.150 3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.911 4.035 6.131 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.220 2.729 5.430 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.456 3.615 8.063 1.00 0.00 H new ATOM 0 HH TYR A 83 5.442 3.045 8.772 1.00 0.00 H new ATOM 742 N ILE A 84 6.290 1.816 1.673 1.00 0.00 N ATOM 743 CA ILE A 84 5.124 1.754 0.801 1.00 0.00 C ATOM 744 C ILE A 84 3.831 1.878 1.600 1.00 0.00 C ATOM 745 O ILE A 84 3.675 1.248 2.647 1.00 0.00 O ATOM 746 CB ILE A 84 5.092 0.442 -0.004 1.00 0.00 C ATOM 747 CG1 ILE A 84 6.353 0.313 -0.862 1.00 0.00 C ATOM 748 CG2 ILE A 84 3.845 0.384 -0.874 1.00 0.00 C ATOM 749 CD1 ILE A 84 6.524 -1.055 -1.483 1.00 0.00 C ATOM 0 H ILE A 84 6.324 1.086 2.384 1.00 0.00 H new ATOM 0 HA ILE A 84 5.203 2.593 0.110 1.00 0.00 H new ATOM 0 HB ILE A 84 5.063 -0.394 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.322 1.061 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.225 0.536 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.837 -0.549 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.958 0.434 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.845 1.225 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.438 -1.073 -2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.587 -1.806 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.670 -1.273 -2.125 1.00 0.00 H new ATOM 761 N ILE A 85 2.908 2.693 1.100 1.00 0.00 N ATOM 762 CA ILE A 85 1.628 2.897 1.767 1.00 0.00 C ATOM 763 C ILE A 85 0.479 2.892 0.764 1.00 0.00 C ATOM 764 O ILE A 85 0.282 3.857 0.027 1.00 0.00 O ATOM 765 CB ILE A 85 1.606 4.223 2.549 1.00 0.00 C ATOM 766 CG1 ILE A 85 2.706 4.232 3.613 1.00 0.00 C ATOM 767 CG2 ILE A 85 0.242 4.438 3.188 1.00 0.00 C ATOM 768 CD1 ILE A 85 2.954 5.597 4.215 1.00 0.00 C ATOM 0 H ILE A 85 3.023 3.222 0.236 1.00 0.00 H new ATOM 0 HA ILE A 85 1.501 2.070 2.466 1.00 0.00 H new ATOM 0 HB ILE A 85 1.793 5.041 1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.437 3.537 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.632 3.866 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.242 5.379 3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.522 4.471 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.028 3.618 3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.746 5.527 4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.254 6.292 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.041 5.957 4.688 1.00 0.00 H new ATOM 780 N GLN A 86 -0.276 1.799 0.744 1.00 0.00 N ATOM 781 CA GLN A 86 -1.407 1.669 -0.168 1.00 0.00 C ATOM 782 C GLN A 86 -2.710 1.488 0.603 1.00 0.00 C ATOM 783 O GLN A 86 -2.718 0.955 1.714 1.00 0.00 O ATOM 784 CB GLN A 86 -1.192 0.487 -1.115 1.00 0.00 C ATOM 785 CG GLN A 86 0.080 0.592 -1.940 1.00 0.00 C ATOM 786 CD GLN A 86 0.442 -0.713 -2.622 1.00 0.00 C ATOM 787 OE1 GLN A 86 1.354 -1.420 -2.190 1.00 0.00 O ATOM 788 NE2 GLN A 86 -0.271 -1.040 -3.693 1.00 0.00 N ATOM 0 H GLN A 86 -0.126 0.991 1.348 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.477 2.586 -0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.162 -0.434 -0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.046 0.411 -1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -0.043 1.370 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.903 0.901 -1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -1.018 -0.425 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -0.072 -1.907 -4.193 1.00 0.00 H new ATOM 797 N LEU A 87 -3.811 1.935 0.008 1.00 0.00 N ATOM 798 CA LEU A 87 -5.121 1.822 0.640 1.00 0.00 C ATOM 799 C LEU A 87 -6.003 0.828 -0.109 1.00 0.00 C ATOM 800 O LEU A 87 -6.493 1.117 -1.201 1.00 0.00 O ATOM 801 CB LEU A 87 -5.804 3.190 0.689 1.00 0.00 C ATOM 802 CG LEU A 87 -6.807 3.399 1.825 1.00 0.00 C ATOM 803 CD1 LEU A 87 -6.851 4.863 2.235 1.00 0.00 C ATOM 804 CD2 LEU A 87 -8.189 2.917 1.410 1.00 0.00 C ATOM 0 H LEU A 87 -3.823 2.379 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.977 1.457 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.033 3.956 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.319 3.351 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.482 2.812 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.570 4.993 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.863 5.176 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.152 5.471 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.890 3.073 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.522 3.477 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.146 1.855 1.166 1.00 0.00 H new ATOM 816 N LEU A 88 -6.202 -0.343 0.486 1.00 0.00 N ATOM 817 CA LEU A 88 -7.027 -1.380 -0.124 1.00 0.00 C ATOM 818 C LEU A 88 -8.452 -1.330 0.418 1.00 0.00 C ATOM 819 O LEU A 88 -8.681 -0.907 1.550 1.00 0.00 O ATOM 820 CB LEU A 88 -6.419 -2.760 0.134 1.00 0.00 C ATOM 821 CG LEU A 88 -4.926 -2.902 -0.164 1.00 0.00 C ATOM 822 CD1 LEU A 88 -4.400 -4.227 0.367 1.00 0.00 C ATOM 823 CD2 LEU A 88 -4.668 -2.784 -1.659 1.00 0.00 C ATOM 0 H LEU A 88 -5.804 -0.598 1.390 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.060 -1.199 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.587 -3.019 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.960 -3.491 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.395 -2.095 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.336 -4.311 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.551 -4.273 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.935 -5.048 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.600 -2.887 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.210 -3.570 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.008 -1.810 -2.011 1.00 0.00 H new ATOM 835 N GLN A 89 -9.405 -1.768 -0.399 1.00 0.00 N ATOM 836 CA GLN A 89 -10.808 -1.774 0.000 1.00 0.00 C ATOM 837 C GLN A 89 -11.444 -3.134 -0.267 1.00 0.00 C ATOM 838 O GLN A 89 -11.319 -3.685 -1.361 1.00 0.00 O ATOM 839 CB GLN A 89 -11.577 -0.683 -0.747 1.00 0.00 C ATOM 840 CG GLN A 89 -13.086 -0.789 -0.594 1.00 0.00 C ATOM 841 CD GLN A 89 -13.834 0.150 -1.521 1.00 0.00 C ATOM 842 OE1 GLN A 89 -13.235 0.806 -2.373 1.00 0.00 O ATOM 843 NE2 GLN A 89 -15.150 0.219 -1.358 1.00 0.00 N ATOM 0 H GLN A 89 -9.232 -2.123 -1.340 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.856 -1.575 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.251 0.292 -0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.323 -0.731 -1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.397 -1.815 -0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.359 -0.569 0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -15.605 -0.343 -0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.706 0.834 -1.952 1.00 0.00 H new ATOM 852 N ASP A 90 -12.124 -3.671 0.739 1.00 0.00 N ATOM 853 CA ASP A 90 -12.780 -4.968 0.613 1.00 0.00 C ATOM 854 C ASP A 90 -14.260 -4.798 0.282 1.00 0.00 C ATOM 855 O ASP A 90 -14.794 -3.690 0.330 1.00 0.00 O ATOM 856 CB ASP A 90 -12.623 -5.771 1.905 1.00 0.00 C ATOM 857 CG ASP A 90 -12.669 -7.267 1.666 1.00 0.00 C ATOM 858 OD1 ASP A 90 -11.830 -7.770 0.889 1.00 0.00 O ATOM 859 OD2 ASP A 90 -13.542 -7.935 2.257 1.00 0.00 O ATOM 0 H ASP A 90 -12.236 -3.229 1.651 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.303 -5.511 -0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.676 -5.511 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.415 -5.493 2.601 1.00 0.00 H new ATOM 864 N SER A 91 -14.916 -5.904 -0.055 1.00 0.00 N ATOM 865 CA SER A 91 -16.333 -5.877 -0.399 1.00 0.00 C ATOM 866 C SER A 91 -17.183 -5.545 0.824 1.00 0.00 C ATOM 867 O SER A 91 -18.241 -4.928 0.709 1.00 0.00 O ATOM 868 CB SER A 91 -16.763 -7.223 -0.983 1.00 0.00 C ATOM 869 OG SER A 91 -18.172 -7.295 -1.117 1.00 0.00 O ATOM 0 H SER A 91 -14.489 -6.829 -0.097 1.00 0.00 H new ATOM 0 HA SER A 91 -16.485 -5.099 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 91 -16.294 -7.367 -1.957 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.414 -8.030 -0.339 1.00 0.00 H new ATOM 0 HG SER A 91 -18.421 -8.165 -1.494 1.00 0.00 H new ATOM 875 N ASN A 92 -16.710 -5.959 1.995 1.00 0.00 N ATOM 876 CA ASN A 92 -17.426 -5.707 3.240 1.00 0.00 C ATOM 877 C ASN A 92 -17.128 -4.306 3.766 1.00 0.00 C ATOM 878 O ASN A 92 -16.832 -4.125 4.947 1.00 0.00 O ATOM 879 CB ASN A 92 -17.044 -6.751 4.292 1.00 0.00 C ATOM 880 CG ASN A 92 -17.904 -7.997 4.209 1.00 0.00 C ATOM 881 OD1 ASN A 92 -19.114 -7.946 4.432 1.00 0.00 O ATOM 882 ND2 ASN A 92 -17.281 -9.125 3.886 1.00 0.00 N ATOM 0 H ASN A 92 -15.835 -6.470 2.108 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.494 -5.779 3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.997 -7.026 4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.139 -6.313 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.807 -9.996 3.814 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.276 -9.120 3.710 1.00 0.00 H new ATOM 889 N ARG A 93 -17.208 -3.319 2.880 1.00 0.00 N ATOM 890 CA ARG A 93 -16.946 -1.934 3.254 1.00 0.00 C ATOM 891 C ARG A 93 -15.835 -1.854 4.296 1.00 0.00 C ATOM 892 O ARG A 93 -15.889 -1.036 5.215 1.00 0.00 O ATOM 893 CB ARG A 93 -18.218 -1.281 3.797 1.00 0.00 C ATOM 894 CG ARG A 93 -18.743 -1.932 5.066 1.00 0.00 C ATOM 895 CD ARG A 93 -20.084 -1.346 5.479 1.00 0.00 C ATOM 896 NE ARG A 93 -20.275 -1.384 6.926 1.00 0.00 N ATOM 897 CZ ARG A 93 -20.708 -2.455 7.582 1.00 0.00 C ATOM 898 NH1 ARG A 93 -20.992 -3.570 6.923 1.00 0.00 N ATOM 899 NH2 ARG A 93 -20.857 -2.413 8.900 1.00 0.00 N ATOM 0 H ARG A 93 -17.452 -3.452 1.899 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.623 -1.397 2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -18.020 -0.228 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -18.992 -1.321 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -18.847 -3.006 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -18.021 -1.796 5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -20.152 -0.315 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -20.887 -1.900 4.993 1.00 0.00 H new ATOM 0 HE ARG A 93 -20.065 -0.542 7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -20.878 -3.607 5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -21.324 -4.391 7.429 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -20.639 -1.558 9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -21.190 -3.236 9.402 1.00 0.00 H new ATOM 913 N PHE A 94 -14.827 -2.708 4.148 1.00 0.00 N ATOM 914 CA PHE A 94 -13.704 -2.735 5.077 1.00 0.00 C ATOM 915 C PHE A 94 -12.381 -2.561 4.337 1.00 0.00 C ATOM 916 O PHE A 94 -12.012 -3.386 3.501 1.00 0.00 O ATOM 917 CB PHE A 94 -13.694 -4.049 5.861 1.00 0.00 C ATOM 918 CG PHE A 94 -14.920 -4.254 6.703 1.00 0.00 C ATOM 919 CD1 PHE A 94 -15.485 -3.197 7.398 1.00 0.00 C ATOM 920 CD2 PHE A 94 -15.509 -5.505 6.800 1.00 0.00 C ATOM 921 CE1 PHE A 94 -16.614 -3.382 8.173 1.00 0.00 C ATOM 922 CE2 PHE A 94 -16.638 -5.696 7.574 1.00 0.00 C ATOM 923 CZ PHE A 94 -17.190 -4.634 8.262 1.00 0.00 C ATOM 0 H PHE A 94 -14.765 -3.391 3.393 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.822 -1.905 5.774 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.601 -4.880 5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -12.814 -4.073 6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -15.037 -2.216 7.333 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -15.081 -6.340 6.265 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -17.045 -2.549 8.708 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -17.088 -6.675 7.641 1.00 0.00 H new ATOM 0 HZ PHE A 94 -18.071 -4.782 8.869 1.00 0.00 H new ATOM 933 N PHE A 95 -11.673 -1.481 4.649 1.00 0.00 N ATOM 934 CA PHE A 95 -10.392 -1.197 4.013 1.00 0.00 C ATOM 935 C PHE A 95 -9.238 -1.761 4.837 1.00 0.00 C ATOM 936 O PHE A 95 -9.417 -2.155 5.990 1.00 0.00 O ATOM 937 CB PHE A 95 -10.212 0.312 3.830 1.00 0.00 C ATOM 938 CG PHE A 95 -11.340 0.964 3.082 1.00 0.00 C ATOM 939 CD1 PHE A 95 -12.575 1.143 3.684 1.00 0.00 C ATOM 940 CD2 PHE A 95 -11.165 1.396 1.778 1.00 0.00 C ATOM 941 CE1 PHE A 95 -13.615 1.743 2.999 1.00 0.00 C ATOM 942 CE2 PHE A 95 -12.201 1.996 1.088 1.00 0.00 C ATOM 943 CZ PHE A 95 -13.428 2.169 1.698 1.00 0.00 C ATOM 0 H PHE A 95 -11.965 -0.788 5.338 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.387 -1.678 3.035 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.118 0.780 4.810 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.279 0.497 3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -12.727 0.810 4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.208 1.262 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -14.572 1.879 3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -12.051 2.330 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 95 -14.239 2.636 1.159 1.00 0.00 H new ATOM 953 N THR A 96 -8.052 -1.799 4.236 1.00 0.00 N ATOM 954 CA THR A 96 -6.870 -2.317 4.912 1.00 0.00 C ATOM 955 C THR A 96 -5.615 -1.571 4.472 1.00 0.00 C ATOM 956 O THR A 96 -5.265 -1.568 3.291 1.00 0.00 O ATOM 957 CB THR A 96 -6.681 -3.821 4.640 1.00 0.00 C ATOM 958 OG1 THR A 96 -7.861 -4.539 5.016 1.00 0.00 O ATOM 959 CG2 THR A 96 -5.485 -4.364 5.408 1.00 0.00 C ATOM 0 H THR A 96 -7.886 -1.477 3.283 1.00 0.00 H new ATOM 0 HA THR A 96 -7.025 -2.165 5.980 1.00 0.00 H new ATOM 0 HB THR A 96 -6.499 -3.954 3.574 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.678 -5.072 5.818 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.372 -5.428 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.583 -3.836 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.642 -4.218 6.477 1.00 0.00 H new ATOM 967 N CYS A 97 -4.941 -0.941 5.428 1.00 0.00 N ATOM 968 CA CYS A 97 -3.724 -0.191 5.138 1.00 0.00 C ATOM 969 C CYS A 97 -2.511 -1.115 5.108 1.00 0.00 C ATOM 970 O CYS A 97 -2.020 -1.544 6.152 1.00 0.00 O ATOM 971 CB CYS A 97 -3.518 0.908 6.181 1.00 0.00 C ATOM 972 SG CYS A 97 -4.460 2.418 5.860 1.00 0.00 S ATOM 0 H CYS A 97 -5.217 -0.935 6.410 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.833 0.267 4.155 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -3.796 0.521 7.161 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -2.458 1.157 6.226 1.00 0.00 H new ATOM 0 HG CYS A 97 -5.274 2.640 6.849 1.00 0.00 H new ATOM 978 N TRP A 98 -2.034 -1.417 3.906 1.00 0.00 N ATOM 979 CA TRP A 98 -0.879 -2.291 3.740 1.00 0.00 C ATOM 980 C TRP A 98 0.418 -1.490 3.756 1.00 0.00 C ATOM 981 O TRP A 98 0.712 -0.749 2.819 1.00 0.00 O ATOM 982 CB TRP A 98 -0.991 -3.076 2.432 1.00 0.00 C ATOM 983 CG TRP A 98 0.287 -3.747 2.030 1.00 0.00 C ATOM 984 CD1 TRP A 98 1.117 -3.382 1.008 1.00 0.00 C ATOM 985 CD2 TRP A 98 0.880 -4.898 2.640 1.00 0.00 C ATOM 986 NE1 TRP A 98 2.191 -4.238 0.946 1.00 0.00 N ATOM 987 CE2 TRP A 98 2.069 -5.176 1.937 1.00 0.00 C ATOM 988 CE3 TRP A 98 0.524 -5.720 3.712 1.00 0.00 C ATOM 989 CZ2 TRP A 98 2.900 -6.242 2.273 1.00 0.00 C ATOM 990 CZ3 TRP A 98 1.349 -6.777 4.044 1.00 0.00 C ATOM 991 CH2 TRP A 98 2.527 -7.030 3.327 1.00 0.00 C ATOM 0 H TRP A 98 -2.429 -1.070 3.032 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.862 -2.991 4.576 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -1.772 -3.830 2.535 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -1.304 -2.400 1.636 1.00 0.00 H new ATOM 0 HD1 TRP A 98 0.953 -2.544 0.346 1.00 0.00 H new ATOM 0 HE1 TRP A 98 2.954 -4.184 0.272 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.381 -5.532 4.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 3.807 -6.439 1.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 1.082 -7.420 4.870 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.152 -7.863 3.612 1.00 0.00 H new ATOM 1002 N ASN A 99 1.190 -1.642 4.827 1.00 0.00 N ATOM 1003 CA ASN A 99 2.456 -0.931 4.965 1.00 0.00 C ATOM 1004 C ASN A 99 3.635 -1.875 4.752 1.00 0.00 C ATOM 1005 O ASN A 99 3.643 -2.999 5.254 1.00 0.00 O ATOM 1006 CB ASN A 99 2.552 -0.281 6.346 1.00 0.00 C ATOM 1007 CG ASN A 99 1.217 0.258 6.826 1.00 0.00 C ATOM 1008 OD1 ASN A 99 0.570 1.062 5.991 1.00 0.00 O flip ATOM 1009 ND2 ASN A 99 0.775 -0.047 7.933 1.00 0.00 N flip ATOM 0 H ASN A 99 0.961 -2.251 5.612 1.00 0.00 H new ATOM 0 HA ASN A 99 2.493 -0.154 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.925 -1.012 7.063 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.278 0.531 6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.308 -0.669 8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.124 0.322 8.242 1.00 0.00 H new ATOM 1016 N ARG A 100 4.631 -1.409 4.004 1.00 0.00 N ATOM 1017 CA ARG A 100 5.815 -2.211 3.724 1.00 0.00 C ATOM 1018 C ARG A 100 7.075 -1.350 3.756 1.00 0.00 C ATOM 1019 O ARG A 100 7.171 -0.347 3.050 1.00 0.00 O ATOM 1020 CB ARG A 100 5.686 -2.892 2.360 1.00 0.00 C ATOM 1021 CG ARG A 100 6.823 -3.850 2.047 1.00 0.00 C ATOM 1022 CD ARG A 100 6.384 -4.940 1.081 1.00 0.00 C ATOM 1023 NE ARG A 100 6.431 -4.492 -0.308 1.00 0.00 N ATOM 1024 CZ ARG A 100 7.552 -4.414 -1.017 1.00 0.00 C ATOM 1025 NH1 ARG A 100 8.711 -4.753 -0.471 1.00 0.00 N ATOM 1026 NH2 ARG A 100 7.514 -3.997 -2.276 1.00 0.00 N ATOM 0 H ARG A 100 4.641 -0.481 3.582 1.00 0.00 H new ATOM 0 HA ARG A 100 5.896 -2.974 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.743 -3.437 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.643 -2.127 1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.658 -3.297 1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.182 -4.304 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.026 -5.812 1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.370 -5.255 1.326 1.00 0.00 H new ATOM 0 HE ARG A 100 5.556 -4.224 -0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.744 -5.075 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.570 -4.692 -1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.624 -3.736 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.375 -3.937 -2.820 1.00 0.00 H new ATOM 1040 N TRP A 101 8.037 -1.750 4.581 1.00 0.00 N ATOM 1041 CA TRP A 101 9.290 -1.014 4.706 1.00 0.00 C ATOM 1042 C TRP A 101 10.458 -1.965 4.941 1.00 0.00 C ATOM 1043 O TRP A 101 10.265 -3.165 5.136 1.00 0.00 O ATOM 1044 CB TRP A 101 9.200 -0.004 5.851 1.00 0.00 C ATOM 1045 CG TRP A 101 9.073 -0.645 7.200 1.00 0.00 C ATOM 1046 CD1 TRP A 101 10.071 -1.225 7.929 1.00 0.00 C ATOM 1047 CD2 TRP A 101 7.878 -0.772 7.979 1.00 0.00 C ATOM 1048 NE1 TRP A 101 9.569 -1.705 9.115 1.00 0.00 N ATOM 1049 CE2 TRP A 101 8.226 -1.439 9.170 1.00 0.00 C ATOM 1050 CE3 TRP A 101 6.549 -0.385 7.787 1.00 0.00 C ATOM 1051 CZ2 TRP A 101 7.293 -1.727 10.161 1.00 0.00 C ATOM 1052 CZ3 TRP A 101 5.623 -0.672 8.773 1.00 0.00 C ATOM 1053 CH2 TRP A 101 5.998 -1.337 9.948 1.00 0.00 C ATOM 0 H TRP A 101 7.973 -2.579 5.172 1.00 0.00 H new ATOM 0 HA TRP A 101 9.463 -0.479 3.772 1.00 0.00 H new ATOM 0 HB2 TRP A 101 10.088 0.628 5.839 1.00 0.00 H new ATOM 0 HB3 TRP A 101 8.343 0.648 5.684 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.103 -1.296 7.619 1.00 0.00 H new ATOM 0 HE1 TRP A 101 10.109 -2.182 9.837 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.251 0.129 6.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 7.580 -2.240 11.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 4.593 -0.379 8.635 1.00 0.00 H new ATOM 0 HH2 TRP A 101 5.251 -1.546 10.700 1.00 0.00 H new ATOM 1064 N GLY A 102 11.671 -1.422 4.921 1.00 0.00 N ATOM 1065 CA GLY A 102 12.853 -2.238 5.134 1.00 0.00 C ATOM 1066 C GLY A 102 14.039 -1.765 4.316 1.00 0.00 C ATOM 1067 O GLY A 102 14.299 -0.566 4.224 1.00 0.00 O ATOM 0 H GLY A 102 11.857 -0.432 4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.116 -2.223 6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.628 -3.273 4.877 1.00 0.00 H new ATOM 1071 N ARG A 103 14.760 -2.710 3.722 1.00 0.00 N ATOM 1072 CA ARG A 103 15.926 -2.384 2.911 1.00 0.00 C ATOM 1073 C ARG A 103 15.584 -2.430 1.424 1.00 0.00 C ATOM 1074 O ARG A 103 14.980 -3.389 0.945 1.00 0.00 O ATOM 1075 CB ARG A 103 17.071 -3.354 3.212 1.00 0.00 C ATOM 1076 CG ARG A 103 17.974 -2.897 4.346 1.00 0.00 C ATOM 1077 CD ARG A 103 19.375 -3.470 4.207 1.00 0.00 C ATOM 1078 NE ARG A 103 20.245 -3.063 5.308 1.00 0.00 N ATOM 1079 CZ ARG A 103 21.570 -3.135 5.263 1.00 0.00 C ATOM 1080 NH1 ARG A 103 22.176 -3.596 4.177 1.00 0.00 N ATOM 1081 NH2 ARG A 103 22.293 -2.745 6.305 1.00 0.00 N ATOM 0 H ARG A 103 14.557 -3.707 3.787 1.00 0.00 H new ATOM 0 HA ARG A 103 16.241 -1.371 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 103 16.653 -4.329 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.671 -3.485 2.311 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.024 -1.808 4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.546 -3.205 5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.320 -4.558 4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 103 19.809 -3.142 3.262 1.00 0.00 H new ATOM 0 HE ARG A 103 19.811 -2.704 6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 103 21.624 -3.896 3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 103 23.194 -3.650 4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 103 21.831 -2.389 7.142 1.00 0.00 H new ATOM 0 HH22 ARG A 103 23.311 -2.801 6.269 1.00 0.00 H new ATOM 1095 N VAL A 104 15.974 -1.386 0.700 1.00 0.00 N ATOM 1096 CA VAL A 104 15.710 -1.306 -0.731 1.00 0.00 C ATOM 1097 C VAL A 104 16.100 -2.602 -1.435 1.00 0.00 C ATOM 1098 O VAL A 104 17.200 -3.118 -1.243 1.00 0.00 O ATOM 1099 CB VAL A 104 16.471 -0.134 -1.379 1.00 0.00 C ATOM 1100 CG1 VAL A 104 16.214 -0.093 -2.877 1.00 0.00 C ATOM 1101 CG2 VAL A 104 16.077 1.182 -0.726 1.00 0.00 C ATOM 0 H VAL A 104 16.474 -0.583 1.082 1.00 0.00 H new ATOM 0 HA VAL A 104 14.639 -1.141 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 104 17.539 -0.286 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 104 16.760 0.741 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 104 16.550 -1.026 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.147 0.035 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 104 16.624 1.999 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 104 15.006 1.343 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 104 16.318 1.148 0.336 1.00 0.00 H new ATOM 1111 N GLY A 105 15.189 -3.122 -2.252 1.00 0.00 N ATOM 1112 CA GLY A 105 15.457 -4.353 -2.972 1.00 0.00 C ATOM 1113 C GLY A 105 14.804 -5.558 -2.324 1.00 0.00 C ATOM 1114 O GLY A 105 14.218 -6.397 -3.008 1.00 0.00 O ATOM 0 H GLY A 105 14.271 -2.713 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 105 15.098 -4.256 -3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.534 -4.512 -3.025 1.00 0.00 H new ATOM 1118 N GLU A 106 14.907 -5.645 -1.002 1.00 0.00 N ATOM 1119 CA GLU A 106 14.323 -6.758 -0.262 1.00 0.00 C ATOM 1120 C GLU A 106 12.898 -6.434 0.174 1.00 0.00 C ATOM 1121 O GLU A 106 12.408 -5.324 -0.040 1.00 0.00 O ATOM 1122 CB GLU A 106 15.180 -7.092 0.961 1.00 0.00 C ATOM 1123 CG GLU A 106 15.074 -6.065 2.076 1.00 0.00 C ATOM 1124 CD GLU A 106 15.428 -6.640 3.434 1.00 0.00 C ATOM 1125 OE1 GLU A 106 16.275 -7.556 3.487 1.00 0.00 O ATOM 1126 OE2 GLU A 106 14.858 -6.174 4.443 1.00 0.00 O ATOM 0 H GLU A 106 15.389 -4.959 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 106 14.293 -7.624 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.883 -8.067 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 106 16.222 -7.175 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 106 15.735 -5.227 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 106 14.058 -5.670 2.106 1.00 0.00 H new ATOM 1133 N VAL A 107 12.236 -7.410 0.787 1.00 0.00 N ATOM 1134 CA VAL A 107 10.867 -7.229 1.255 1.00 0.00 C ATOM 1135 C VAL A 107 10.832 -6.463 2.572 1.00 0.00 C ATOM 1136 O VAL A 107 9.985 -5.594 2.775 1.00 0.00 O ATOM 1137 CB VAL A 107 10.154 -8.582 1.442 1.00 0.00 C ATOM 1138 CG1 VAL A 107 8.754 -8.376 2.000 1.00 0.00 C ATOM 1139 CG2 VAL A 107 10.106 -9.345 0.127 1.00 0.00 C ATOM 0 H VAL A 107 12.626 -8.334 0.971 1.00 0.00 H new ATOM 0 HA VAL A 107 10.345 -6.654 0.490 1.00 0.00 H new ATOM 0 HB VAL A 107 10.721 -9.175 2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.266 -9.343 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.817 -7.874 2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.174 -7.764 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.599 -10.298 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.563 -8.759 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.121 -9.526 -0.226 1.00 0.00 H new ATOM 1149 N GLY A 108 11.761 -6.790 3.466 1.00 0.00 N ATOM 1150 CA GLY A 108 11.820 -6.123 4.753 1.00 0.00 C ATOM 1151 C GLY A 108 10.695 -6.545 5.677 1.00 0.00 C ATOM 1152 O GLY A 108 10.216 -7.676 5.605 1.00 0.00 O ATOM 0 H GLY A 108 12.474 -7.505 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.777 -6.340 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.777 -5.044 4.602 1.00 0.00 H new ATOM 1156 N GLN A 109 10.273 -5.634 6.548 1.00 0.00 N ATOM 1157 CA GLN A 109 9.199 -5.919 7.492 1.00 0.00 C ATOM 1158 C GLN A 109 7.837 -5.809 6.815 1.00 0.00 C ATOM 1159 O GLN A 109 7.710 -5.210 5.747 1.00 0.00 O ATOM 1160 CB GLN A 109 9.270 -4.962 8.682 1.00 0.00 C ATOM 1161 CG GLN A 109 10.206 -5.430 9.785 1.00 0.00 C ATOM 1162 CD GLN A 109 9.814 -4.898 11.149 1.00 0.00 C ATOM 1163 OE1 GLN A 109 10.193 -3.789 11.528 1.00 0.00 O ATOM 1164 NE2 GLN A 109 9.050 -5.687 11.895 1.00 0.00 N ATOM 0 H GLN A 109 10.659 -4.692 6.619 1.00 0.00 H new ATOM 0 HA GLN A 109 9.325 -6.941 7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.596 -3.983 8.331 1.00 0.00 H new ATOM 0 HB3 GLN A 109 8.270 -4.835 9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.212 -6.520 9.813 1.00 0.00 H new ATOM 0 HG3 GLN A 109 11.222 -5.111 9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.759 -6.598 11.541 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.754 -5.382 12.822 1.00 0.00 H new ATOM 1173 N SER A 110 6.820 -6.390 7.444 1.00 0.00 N ATOM 1174 CA SER A 110 5.467 -6.360 6.901 1.00 0.00 C ATOM 1175 C SER A 110 4.454 -6.009 7.986 1.00 0.00 C ATOM 1176 O SER A 110 4.318 -6.723 8.980 1.00 0.00 O ATOM 1177 CB SER A 110 5.116 -7.712 6.276 1.00 0.00 C ATOM 1178 OG SER A 110 4.902 -8.695 7.275 1.00 0.00 O ATOM 0 H SER A 110 6.908 -6.887 8.330 1.00 0.00 H new ATOM 0 HA SER A 110 5.428 -5.591 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 110 4.221 -7.611 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 110 5.921 -8.031 5.614 1.00 0.00 H new ATOM 0 HG SER A 110 4.758 -8.257 8.140 1.00 0.00 H new ATOM 1184 N LYS A 111 3.743 -4.904 7.787 1.00 0.00 N ATOM 1185 CA LYS A 111 2.740 -4.457 8.746 1.00 0.00 C ATOM 1186 C LYS A 111 1.422 -4.138 8.047 1.00 0.00 C ATOM 1187 O LYS A 111 1.389 -3.368 7.087 1.00 0.00 O ATOM 1188 CB LYS A 111 3.240 -3.223 9.501 1.00 0.00 C ATOM 1189 CG LYS A 111 2.213 -2.633 10.452 1.00 0.00 C ATOM 1190 CD LYS A 111 2.173 -3.390 11.769 1.00 0.00 C ATOM 1191 CE LYS A 111 3.203 -2.853 12.751 1.00 0.00 C ATOM 1192 NZ LYS A 111 4.530 -3.505 12.575 1.00 0.00 N ATOM 0 H LYS A 111 3.843 -4.302 6.970 1.00 0.00 H new ATOM 0 HA LYS A 111 2.568 -5.266 9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.134 -3.490 10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 111 3.535 -2.461 8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.450 -1.586 10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.228 -2.659 9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.177 -3.311 12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.359 -4.449 11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.307 -1.776 12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.852 -3.014 13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.894 -3.807 13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.430 -4.334 11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.194 -2.830 12.145 1.00 0.00 H new ATOM 1206 N ILE A 112 0.339 -4.734 8.535 1.00 0.00 N ATOM 1207 CA ILE A 112 -0.980 -4.510 7.958 1.00 0.00 C ATOM 1208 C ILE A 112 -1.955 -3.980 9.003 1.00 0.00 C ATOM 1209 O ILE A 112 -1.895 -4.360 10.172 1.00 0.00 O ATOM 1210 CB ILE A 112 -1.553 -5.803 7.346 1.00 0.00 C ATOM 1211 CG1 ILE A 112 -2.817 -5.495 6.541 1.00 0.00 C ATOM 1212 CG2 ILE A 112 -1.849 -6.819 8.439 1.00 0.00 C ATOM 1213 CD1 ILE A 112 -3.149 -6.551 5.510 1.00 0.00 C ATOM 0 H ILE A 112 0.349 -5.375 9.328 1.00 0.00 H new ATOM 0 HA ILE A 112 -0.858 -3.767 7.170 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.810 -6.229 6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.658 -5.391 7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.694 -4.535 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.253 -7.727 7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.929 -7.056 8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.577 -6.403 9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.057 -6.267 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.325 -6.640 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.305 -7.509 6.007 1.00 0.00 H new ATOM 1225 N ASN A 113 -2.855 -3.101 8.574 1.00 0.00 N ATOM 1226 CA ASN A 113 -3.844 -2.519 9.473 1.00 0.00 C ATOM 1227 C ASN A 113 -5.244 -2.605 8.871 1.00 0.00 C ATOM 1228 O ASN A 113 -5.506 -2.053 7.801 1.00 0.00 O ATOM 1229 CB ASN A 113 -3.495 -1.060 9.774 1.00 0.00 C ATOM 1230 CG ASN A 113 -2.106 -0.907 10.361 1.00 0.00 C ATOM 1231 OD1 ASN A 113 -1.180 -0.457 9.686 1.00 0.00 O ATOM 1232 ND2 ASN A 113 -1.954 -1.282 11.626 1.00 0.00 N ATOM 0 H ASN A 113 -2.919 -2.776 7.609 1.00 0.00 H new ATOM 0 HA ASN A 113 -3.832 -3.088 10.403 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.565 -0.476 8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -4.227 -0.650 10.469 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.042 -1.202 12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -2.749 -1.650 12.148 1.00 0.00 H new ATOM 1239 N HIS A 114 -6.139 -3.300 9.565 1.00 0.00 N ATOM 1240 CA HIS A 114 -7.512 -3.458 9.099 1.00 0.00 C ATOM 1241 C HIS A 114 -8.421 -2.403 9.722 1.00 0.00 C ATOM 1242 O HIS A 114 -8.495 -2.276 10.945 1.00 0.00 O ATOM 1243 CB HIS A 114 -8.030 -4.857 9.435 1.00 0.00 C ATOM 1244 CG HIS A 114 -7.187 -5.959 8.870 1.00 0.00 C ATOM 1245 ND1 HIS A 114 -7.028 -6.166 7.516 1.00 0.00 N ATOM 1246 CD2 HIS A 114 -6.454 -6.916 9.485 1.00 0.00 C ATOM 1247 CE1 HIS A 114 -6.235 -7.204 7.322 1.00 0.00 C ATOM 1248 NE2 HIS A 114 -5.872 -7.677 8.501 1.00 0.00 N ATOM 0 H HIS A 114 -5.938 -3.763 10.452 1.00 0.00 H new ATOM 0 HA HIS A 114 -7.520 -3.327 8.017 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -8.079 -4.967 10.518 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.048 -4.959 9.058 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -6.347 -7.055 10.551 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -5.934 -7.599 6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -5.259 -8.477 8.655 1.00 0.00 H new ATOM 1256 N PHE A 115 -9.112 -1.648 8.874 1.00 0.00 N ATOM 1257 CA PHE A 115 -10.015 -0.603 9.342 1.00 0.00 C ATOM 1258 C PHE A 115 -11.449 -0.888 8.906 1.00 0.00 C ATOM 1259 O PHE A 115 -11.686 -1.454 7.838 1.00 0.00 O ATOM 1260 CB PHE A 115 -9.570 0.761 8.810 1.00 0.00 C ATOM 1261 CG PHE A 115 -8.259 1.226 9.376 1.00 0.00 C ATOM 1262 CD1 PHE A 115 -8.168 1.642 10.695 1.00 0.00 C ATOM 1263 CD2 PHE A 115 -7.118 1.248 8.590 1.00 0.00 C ATOM 1264 CE1 PHE A 115 -6.963 2.072 11.218 1.00 0.00 C ATOM 1265 CE2 PHE A 115 -5.911 1.677 9.108 1.00 0.00 C ATOM 1266 CZ PHE A 115 -5.833 2.088 10.424 1.00 0.00 C ATOM 0 H PHE A 115 -9.064 -1.740 7.859 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.981 -0.589 10.431 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -9.490 0.710 7.724 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -10.338 1.500 9.039 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.048 1.630 11.321 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.173 0.926 7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -6.905 2.395 12.247 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -5.029 1.691 8.484 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.890 2.421 10.832 1.00 0.00 H new ATOM 1276 N THR A 116 -12.405 -0.493 9.741 1.00 0.00 N ATOM 1277 CA THR A 116 -13.816 -0.707 9.444 1.00 0.00 C ATOM 1278 C THR A 116 -14.388 0.448 8.629 1.00 0.00 C ATOM 1279 O THR A 116 -15.230 0.245 7.755 1.00 0.00 O ATOM 1280 CB THR A 116 -14.643 -0.870 10.733 1.00 0.00 C ATOM 1281 OG1 THR A 116 -14.435 0.256 11.594 1.00 0.00 O ATOM 1282 CG2 THR A 116 -14.263 -2.149 11.463 1.00 0.00 C ATOM 0 H THR A 116 -12.228 -0.023 10.629 1.00 0.00 H new ATOM 0 HA THR A 116 -13.880 -1.626 8.861 1.00 0.00 H new ATOM 0 HB THR A 116 -15.696 -0.927 10.457 1.00 0.00 H new ATOM 0 HG1 THR A 116 -14.965 0.146 12.411 1.00 0.00 H new ATOM 0 HG21 THR A 116 -14.861 -2.242 12.370 1.00 0.00 H new ATOM 0 HG22 THR A 116 -14.450 -3.006 10.816 1.00 0.00 H new ATOM 0 HG23 THR A 116 -13.206 -2.117 11.727 1.00 0.00 H new ATOM 1290 N ARG A 117 -13.924 1.658 8.921 1.00 0.00 N ATOM 1291 CA ARG A 117 -14.390 2.846 8.215 1.00 0.00 C ATOM 1292 C ARG A 117 -13.411 3.244 7.115 1.00 0.00 C ATOM 1293 O ARG A 117 -12.280 2.758 7.071 1.00 0.00 O ATOM 1294 CB ARG A 117 -14.575 4.007 9.194 1.00 0.00 C ATOM 1295 CG ARG A 117 -15.968 4.080 9.798 1.00 0.00 C ATOM 1296 CD ARG A 117 -16.999 4.514 8.768 1.00 0.00 C ATOM 1297 NE ARG A 117 -18.363 4.405 9.280 1.00 0.00 N ATOM 1298 CZ ARG A 117 -18.874 5.225 10.191 1.00 0.00 C ATOM 1299 NH1 ARG A 117 -18.138 6.209 10.689 1.00 0.00 N ATOM 1300 NH2 ARG A 117 -20.123 5.061 10.607 1.00 0.00 N ATOM 0 H ARG A 117 -13.226 1.842 9.641 1.00 0.00 H new ATOM 0 HA ARG A 117 -15.350 2.612 7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -13.845 3.913 9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -14.363 4.943 8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -16.243 3.105 10.201 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -15.968 4.781 10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -16.804 5.545 8.472 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -16.898 3.901 7.873 1.00 0.00 H new ATOM 0 HE ARG A 117 -18.955 3.658 8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -17.177 6.338 10.372 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -18.533 6.837 11.389 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -20.692 4.304 10.227 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -20.514 5.691 11.307 1.00 0.00 H new ATOM 1314 N LEU A 118 -13.853 4.130 6.229 1.00 0.00 N ATOM 1315 CA LEU A 118 -13.015 4.593 5.128 1.00 0.00 C ATOM 1316 C LEU A 118 -12.173 5.792 5.552 1.00 0.00 C ATOM 1317 O LEU A 118 -10.950 5.783 5.413 1.00 0.00 O ATOM 1318 CB LEU A 118 -13.882 4.965 3.924 1.00 0.00 C ATOM 1319 CG LEU A 118 -13.213 5.834 2.858 1.00 0.00 C ATOM 1320 CD1 LEU A 118 -11.988 5.134 2.291 1.00 0.00 C ATOM 1321 CD2 LEU A 118 -14.199 6.170 1.748 1.00 0.00 C ATOM 0 H LEU A 118 -14.786 4.542 6.251 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.343 3.781 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.226 4.045 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -14.767 5.487 4.287 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.891 6.765 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.525 5.767 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.274 4.945 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.286 4.188 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.706 6.789 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.552 5.249 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -15.047 6.713 2.166 1.00 0.00 H new ATOM 1333 N GLU A 119 -12.835 6.820 6.072 1.00 0.00 N ATOM 1334 CA GLU A 119 -12.146 8.026 6.518 1.00 0.00 C ATOM 1335 C GLU A 119 -11.027 7.682 7.496 1.00 0.00 C ATOM 1336 O GLU A 119 -9.885 8.112 7.327 1.00 0.00 O ATOM 1337 CB GLU A 119 -13.134 8.992 7.175 1.00 0.00 C ATOM 1338 CG GLU A 119 -14.105 9.629 6.195 1.00 0.00 C ATOM 1339 CD GLU A 119 -13.513 10.830 5.484 1.00 0.00 C ATOM 1340 OE1 GLU A 119 -12.571 10.642 4.686 1.00 0.00 O ATOM 1341 OE2 GLU A 119 -13.990 11.958 5.726 1.00 0.00 O ATOM 0 H GLU A 119 -13.847 6.843 6.195 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.707 8.507 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.699 8.457 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.577 9.778 7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.408 8.887 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -15.005 9.935 6.728 1.00 0.00 H new ATOM 1348 N ASP A 120 -11.362 6.905 8.520 1.00 0.00 N ATOM 1349 CA ASP A 120 -10.387 6.502 9.526 1.00 0.00 C ATOM 1350 C ASP A 120 -9.073 6.085 8.873 1.00 0.00 C ATOM 1351 O ASP A 120 -7.998 6.525 9.281 1.00 0.00 O ATOM 1352 CB ASP A 120 -10.938 5.352 10.371 1.00 0.00 C ATOM 1353 CG ASP A 120 -10.671 3.996 9.747 1.00 0.00 C ATOM 1354 OD1 ASP A 120 -9.489 3.602 9.666 1.00 0.00 O ATOM 1355 OD2 ASP A 120 -11.645 3.328 9.341 1.00 0.00 O ATOM 0 H ASP A 120 -12.302 6.541 8.675 1.00 0.00 H new ATOM 0 HA ASP A 120 -10.195 7.358 10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -10.489 5.387 11.364 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.012 5.483 10.502 1.00 0.00 H new ATOM 1360 N ALA A 121 -9.167 5.233 7.858 1.00 0.00 N ATOM 1361 CA ALA A 121 -7.986 4.757 7.148 1.00 0.00 C ATOM 1362 C ALA A 121 -7.259 5.908 6.460 1.00 0.00 C ATOM 1363 O ALA A 121 -6.044 6.059 6.597 1.00 0.00 O ATOM 1364 CB ALA A 121 -8.374 3.693 6.132 1.00 0.00 C ATOM 0 H ALA A 121 -10.049 4.858 7.509 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.307 4.316 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.482 3.347 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -8.843 2.853 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -9.075 4.116 5.412 1.00 0.00 H new ATOM 1370 N LYS A 122 -8.008 6.717 5.719 1.00 0.00 N ATOM 1371 CA LYS A 122 -7.436 7.855 5.009 1.00 0.00 C ATOM 1372 C LYS A 122 -6.630 8.737 5.957 1.00 0.00 C ATOM 1373 O LYS A 122 -5.534 9.188 5.622 1.00 0.00 O ATOM 1374 CB LYS A 122 -8.542 8.677 4.346 1.00 0.00 C ATOM 1375 CG LYS A 122 -9.430 7.866 3.417 1.00 0.00 C ATOM 1376 CD LYS A 122 -10.602 8.688 2.907 1.00 0.00 C ATOM 1377 CE LYS A 122 -10.270 9.376 1.593 1.00 0.00 C ATOM 1378 NZ LYS A 122 -9.717 10.743 1.806 1.00 0.00 N ATOM 0 H LYS A 122 -9.014 6.606 5.594 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.766 7.472 4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -9.160 9.131 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.089 9.492 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.842 7.506 2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.803 6.987 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.469 8.042 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -10.875 9.436 3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -9.548 8.774 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -11.169 9.439 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -10.447 11.451 1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.419 10.847 2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.898 10.887 1.182 1.00 0.00 H new ATOM 1392 N LYS A 123 -7.179 8.980 7.142 1.00 0.00 N ATOM 1393 CA LYS A 123 -6.511 9.807 8.141 1.00 0.00 C ATOM 1394 C LYS A 123 -5.099 9.297 8.413 1.00 0.00 C ATOM 1395 O LYS A 123 -4.154 10.080 8.506 1.00 0.00 O ATOM 1396 CB LYS A 123 -7.318 9.824 9.441 1.00 0.00 C ATOM 1397 CG LYS A 123 -8.714 10.399 9.283 1.00 0.00 C ATOM 1398 CD LYS A 123 -9.507 10.303 10.576 1.00 0.00 C ATOM 1399 CE LYS A 123 -9.049 11.341 11.589 1.00 0.00 C ATOM 1400 NZ LYS A 123 -9.523 12.707 11.236 1.00 0.00 N ATOM 0 H LYS A 123 -8.086 8.616 7.435 1.00 0.00 H new ATOM 0 HA LYS A 123 -6.443 10.822 7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.395 8.807 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.777 10.406 10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.646 11.442 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -9.241 9.866 8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -10.567 10.442 10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -9.395 9.305 11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -9.420 11.072 12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.960 11.338 11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -9.308 13.361 12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -9.042 13.029 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -10.550 12.687 11.074 1.00 0.00 H new ATOM 1414 N ASP A 124 -4.964 7.981 8.537 1.00 0.00 N ATOM 1415 CA ASP A 124 -3.666 7.367 8.795 1.00 0.00 C ATOM 1416 C ASP A 124 -2.804 7.368 7.536 1.00 0.00 C ATOM 1417 O ASP A 124 -1.618 7.695 7.584 1.00 0.00 O ATOM 1418 CB ASP A 124 -3.848 5.936 9.303 1.00 0.00 C ATOM 1419 CG ASP A 124 -3.889 5.860 10.816 1.00 0.00 C ATOM 1420 OD1 ASP A 124 -4.860 6.375 11.411 1.00 0.00 O ATOM 1421 OD2 ASP A 124 -2.951 5.285 11.407 1.00 0.00 O ATOM 0 H ASP A 124 -5.737 7.319 8.463 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.159 7.955 9.560 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.771 5.524 8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.032 5.316 8.933 1.00 0.00 H new ATOM 1426 N PHE A 125 -3.408 6.999 6.411 1.00 0.00 N ATOM 1427 CA PHE A 125 -2.696 6.955 5.140 1.00 0.00 C ATOM 1428 C PHE A 125 -2.067 8.309 4.822 1.00 0.00 C ATOM 1429 O PHE A 125 -0.928 8.383 4.364 1.00 0.00 O ATOM 1430 CB PHE A 125 -3.645 6.543 4.013 1.00 0.00 C ATOM 1431 CG PHE A 125 -2.975 6.437 2.673 1.00 0.00 C ATOM 1432 CD1 PHE A 125 -2.515 7.570 2.022 1.00 0.00 C ATOM 1433 CD2 PHE A 125 -2.804 5.204 2.065 1.00 0.00 C ATOM 1434 CE1 PHE A 125 -1.898 7.475 0.789 1.00 0.00 C ATOM 1435 CE2 PHE A 125 -2.187 5.102 0.832 1.00 0.00 C ATOM 1436 CZ PHE A 125 -1.733 6.240 0.194 1.00 0.00 C ATOM 0 H PHE A 125 -4.389 6.726 6.354 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.900 6.215 5.223 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.096 5.582 4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.456 7.269 3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.640 8.539 2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.157 4.312 2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.545 8.366 0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.060 4.135 0.369 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.250 6.164 -0.769 1.00 0.00 H new ATOM 1446 N GLU A 126 -2.820 9.377 5.067 1.00 0.00 N ATOM 1447 CA GLU A 126 -2.338 10.727 4.805 1.00 0.00 C ATOM 1448 C GLU A 126 -1.411 11.200 5.922 1.00 0.00 C ATOM 1449 O GLU A 126 -0.430 11.902 5.675 1.00 0.00 O ATOM 1450 CB GLU A 126 -3.515 11.694 4.660 1.00 0.00 C ATOM 1451 CG GLU A 126 -4.022 11.827 3.234 1.00 0.00 C ATOM 1452 CD GLU A 126 -4.729 13.145 2.986 1.00 0.00 C ATOM 1453 OE1 GLU A 126 -4.380 14.141 3.653 1.00 0.00 O ATOM 1454 OE2 GLU A 126 -5.632 13.180 2.124 1.00 0.00 O ATOM 0 H GLU A 126 -3.766 9.333 5.446 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.775 10.709 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -4.332 11.356 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -3.214 12.677 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -3.183 11.734 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -4.706 11.006 3.018 1.00 0.00 H new ATOM 1461 N LYS A 127 -1.730 10.811 7.151 1.00 0.00 N ATOM 1462 CA LYS A 127 -0.928 11.193 8.307 1.00 0.00 C ATOM 1463 C LYS A 127 0.485 10.629 8.199 1.00 0.00 C ATOM 1464 O LYS A 127 1.467 11.369 8.267 1.00 0.00 O ATOM 1465 CB LYS A 127 -1.588 10.700 9.597 1.00 0.00 C ATOM 1466 CG LYS A 127 -0.808 11.051 10.852 1.00 0.00 C ATOM 1467 CD LYS A 127 0.194 9.966 11.208 1.00 0.00 C ATOM 1468 CE LYS A 127 -0.469 8.818 11.953 1.00 0.00 C ATOM 1469 NZ LYS A 127 -0.577 9.092 13.412 1.00 0.00 N ATOM 0 H LYS A 127 -2.539 10.231 7.373 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.865 12.281 8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -2.588 11.127 9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -1.707 9.618 9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.285 11.996 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.499 11.196 11.682 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.662 9.589 10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.988 10.390 11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.463 8.644 11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.105 7.904 11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.034 8.286 13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.373 9.233 13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.146 9.949 13.563 1.00 0.00 H new ATOM 1483 N LYS A 128 0.582 9.315 8.029 1.00 0.00 N ATOM 1484 CA LYS A 128 1.874 8.652 7.908 1.00 0.00 C ATOM 1485 C LYS A 128 2.691 9.253 6.769 1.00 0.00 C ATOM 1486 O LYS A 128 3.885 9.513 6.917 1.00 0.00 O ATOM 1487 CB LYS A 128 1.681 7.152 7.674 1.00 0.00 C ATOM 1488 CG LYS A 128 2.983 6.370 7.629 1.00 0.00 C ATOM 1489 CD LYS A 128 3.621 6.270 9.004 1.00 0.00 C ATOM 1490 CE LYS A 128 2.865 5.302 9.901 1.00 0.00 C ATOM 1491 NZ LYS A 128 3.756 4.675 10.916 1.00 0.00 N ATOM 0 H LYS A 128 -0.220 8.688 7.972 1.00 0.00 H new ATOM 0 HA LYS A 128 2.419 8.802 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 128 1.051 6.747 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 128 1.146 7.005 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 128 2.794 5.369 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 128 3.675 6.854 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.655 5.942 8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 128 3.643 7.256 9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.056 5.831 10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 128 2.406 4.524 9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 3.203 4.022 11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 4.514 4.149 10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 4.174 5.415 11.515 1.00 0.00 H new ATOM 1505 N PHE A 129 2.038 9.475 5.632 1.00 0.00 N ATOM 1506 CA PHE A 129 2.704 10.047 4.468 1.00 0.00 C ATOM 1507 C PHE A 129 3.209 11.456 4.768 1.00 0.00 C ATOM 1508 O PHE A 129 4.378 11.768 4.543 1.00 0.00 O ATOM 1509 CB PHE A 129 1.749 10.079 3.273 1.00 0.00 C ATOM 1510 CG PHE A 129 2.150 11.063 2.211 1.00 0.00 C ATOM 1511 CD1 PHE A 129 1.792 12.397 2.313 1.00 0.00 C ATOM 1512 CD2 PHE A 129 2.886 10.652 1.110 1.00 0.00 C ATOM 1513 CE1 PHE A 129 2.160 13.305 1.338 1.00 0.00 C ATOM 1514 CE2 PHE A 129 3.257 11.556 0.132 1.00 0.00 C ATOM 1515 CZ PHE A 129 2.892 12.883 0.246 1.00 0.00 C ATOM 0 H PHE A 129 1.049 9.267 5.493 1.00 0.00 H new ATOM 0 HA PHE A 129 3.560 9.418 4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 129 1.697 9.083 2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 129 0.747 10.325 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 129 1.218 12.732 3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.172 9.615 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 129 1.875 14.343 1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.832 11.225 -0.720 1.00 0.00 H new ATOM 0 HZ PHE A 129 3.179 13.590 -0.518 1.00 0.00 H new ATOM 1525 N ARG A 130 2.318 12.301 5.275 1.00 0.00 N ATOM 1526 CA ARG A 130 2.672 13.677 5.604 1.00 0.00 C ATOM 1527 C ARG A 130 3.681 13.720 6.748 1.00 0.00 C ATOM 1528 O ARG A 130 4.474 14.655 6.853 1.00 0.00 O ATOM 1529 CB ARG A 130 1.421 14.471 5.984 1.00 0.00 C ATOM 1530 CG ARG A 130 1.722 15.846 6.556 1.00 0.00 C ATOM 1531 CD ARG A 130 0.573 16.813 6.320 1.00 0.00 C ATOM 1532 NE ARG A 130 0.511 17.851 7.345 1.00 0.00 N ATOM 1533 CZ ARG A 130 -0.032 17.668 8.544 1.00 0.00 C ATOM 1534 NH1 ARG A 130 -0.556 16.494 8.866 1.00 0.00 N ATOM 1535 NH2 ARG A 130 -0.051 18.662 9.423 1.00 0.00 N ATOM 0 H ARG A 130 1.346 12.058 5.467 1.00 0.00 H new ATOM 0 HA ARG A 130 3.128 14.129 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.791 14.584 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 130 0.847 13.901 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.914 15.762 7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.630 16.240 6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 130 0.686 17.277 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.367 16.262 6.305 1.00 0.00 H new ATOM 0 HE ARG A 130 0.906 18.766 7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -0.543 15.728 8.193 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -0.972 16.357 9.787 1.00 0.00 H new ATOM 0 HH21 ARG A 130 0.351 19.567 9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -0.468 18.521 10.343 1.00 0.00 H new ATOM 1549 N GLU A 131 3.644 12.702 7.602 1.00 0.00 N ATOM 1550 CA GLU A 131 4.555 12.625 8.738 1.00 0.00 C ATOM 1551 C GLU A 131 5.959 12.237 8.285 1.00 0.00 C ATOM 1552 O GLU A 131 6.951 12.594 8.922 1.00 0.00 O ATOM 1553 CB GLU A 131 4.040 11.614 9.765 1.00 0.00 C ATOM 1554 CG GLU A 131 2.991 12.182 10.706 1.00 0.00 C ATOM 1555 CD GLU A 131 3.414 13.500 11.325 1.00 0.00 C ATOM 1556 OE1 GLU A 131 4.066 13.472 12.390 1.00 0.00 O ATOM 1557 OE2 GLU A 131 3.095 14.559 10.745 1.00 0.00 O ATOM 0 H GLU A 131 2.993 11.920 7.529 1.00 0.00 H new ATOM 0 HA GLU A 131 4.602 13.611 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 131 3.618 10.757 9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 131 4.881 11.245 10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 131 2.058 12.324 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 131 2.790 11.461 11.498 1.00 0.00 H new ATOM 1564 N LYS A 132 6.036 11.503 7.180 1.00 0.00 N ATOM 1565 CA LYS A 132 7.317 11.065 6.640 1.00 0.00 C ATOM 1566 C LYS A 132 7.814 12.031 5.569 1.00 0.00 C ATOM 1567 O LYS A 132 9.000 12.050 5.237 1.00 0.00 O ATOM 1568 CB LYS A 132 7.192 9.657 6.053 1.00 0.00 C ATOM 1569 CG LYS A 132 6.767 8.610 7.068 1.00 0.00 C ATOM 1570 CD LYS A 132 7.911 8.236 7.995 1.00 0.00 C ATOM 1571 CE LYS A 132 7.422 7.423 9.184 1.00 0.00 C ATOM 1572 NZ LYS A 132 6.838 8.290 10.245 1.00 0.00 N ATOM 0 H LYS A 132 5.225 11.199 6.641 1.00 0.00 H new ATOM 0 HA LYS A 132 8.041 11.049 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 132 6.469 9.675 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 132 8.150 9.366 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 132 5.931 8.990 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 132 6.413 7.720 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 132 8.656 7.663 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 132 8.404 9.141 8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.674 6.704 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 132 8.252 6.850 9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 6.516 7.699 11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 7.559 8.959 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 6.030 8.818 9.857 1.00 0.00 H new ATOM 1586 N THR A 133 6.901 12.834 5.032 1.00 0.00 N ATOM 1587 CA THR A 133 7.246 13.803 4.000 1.00 0.00 C ATOM 1588 C THR A 133 6.911 15.222 4.443 1.00 0.00 C ATOM 1589 O THR A 133 6.945 16.158 3.644 1.00 0.00 O ATOM 1590 CB THR A 133 6.512 13.503 2.679 1.00 0.00 C ATOM 1591 OG1 THR A 133 5.106 13.721 2.840 1.00 0.00 O ATOM 1592 CG2 THR A 133 6.761 12.069 2.236 1.00 0.00 C ATOM 0 H THR A 133 5.916 12.832 5.295 1.00 0.00 H new ATOM 0 HA THR A 133 8.321 13.721 3.837 1.00 0.00 H new ATOM 0 HB THR A 133 6.898 14.175 1.913 1.00 0.00 H new ATOM 0 HG1 THR A 133 4.724 13.003 3.387 1.00 0.00 H new ATOM 0 HG21 THR A 133 6.233 11.880 1.301 1.00 0.00 H new ATOM 0 HG22 THR A 133 7.830 11.915 2.087 1.00 0.00 H new ATOM 0 HG23 THR A 133 6.399 11.383 3.002 1.00 0.00 H new ATOM 1600 N LYS A 134 6.588 15.376 5.723 1.00 0.00 N ATOM 1601 CA LYS A 134 6.248 16.682 6.274 1.00 0.00 C ATOM 1602 C LYS A 134 5.509 17.532 5.246 1.00 0.00 C ATOM 1603 O LYS A 134 5.712 18.743 5.166 1.00 0.00 O ATOM 1604 CB LYS A 134 7.513 17.408 6.737 1.00 0.00 C ATOM 1605 CG LYS A 134 8.208 16.734 7.908 1.00 0.00 C ATOM 1606 CD LYS A 134 9.557 17.369 8.197 1.00 0.00 C ATOM 1607 CE LYS A 134 9.416 18.598 9.083 1.00 0.00 C ATOM 1608 NZ LYS A 134 10.729 19.254 9.335 1.00 0.00 N ATOM 0 H LYS A 134 6.555 14.612 6.398 1.00 0.00 H new ATOM 0 HA LYS A 134 5.591 16.527 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.210 17.475 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.254 18.429 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.577 16.800 8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 134 8.343 15.674 7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 134 10.206 16.641 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.037 17.648 7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 134 8.739 19.310 8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 134 8.965 18.311 10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.590 20.087 9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.367 18.583 9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.148 19.551 8.431 1.00 0.00 H new ATOM 1622 N ASN A 135 4.651 16.889 4.460 1.00 0.00 N ATOM 1623 CA ASN A 135 3.881 17.587 3.437 1.00 0.00 C ATOM 1624 C ASN A 135 2.444 17.075 3.393 1.00 0.00 C ATOM 1625 O ASN A 135 2.133 16.021 3.946 1.00 0.00 O ATOM 1626 CB ASN A 135 4.539 17.412 2.067 1.00 0.00 C ATOM 1627 CG ASN A 135 5.548 18.503 1.766 1.00 0.00 C ATOM 1628 OD1 ASN A 135 5.180 19.622 1.409 1.00 0.00 O ATOM 1629 ND2 ASN A 135 6.828 18.181 1.909 1.00 0.00 N ATOM 0 H ASN A 135 4.472 15.886 4.512 1.00 0.00 H new ATOM 0 HA ASN A 135 3.862 18.647 3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 135 5.034 16.442 2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 135 3.769 17.410 1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 135 7.552 18.874 1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 135 7.087 17.241 2.207 1.00 0.00 H new ATOM 1636 N ASN A 136 1.573 17.830 2.731 1.00 0.00 N ATOM 1637 CA ASN A 136 0.169 17.452 2.615 1.00 0.00 C ATOM 1638 C ASN A 136 -0.093 16.733 1.295 1.00 0.00 C ATOM 1639 O ASN A 136 0.325 17.192 0.233 1.00 0.00 O ATOM 1640 CB ASN A 136 -0.724 18.691 2.720 1.00 0.00 C ATOM 1641 CG ASN A 136 -0.766 19.255 4.127 1.00 0.00 C ATOM 1642 OD1 ASN A 136 -0.052 20.205 4.449 1.00 0.00 O ATOM 1643 ND2 ASN A 136 -1.606 18.670 4.974 1.00 0.00 N ATOM 0 H ASN A 136 1.814 18.706 2.267 1.00 0.00 H new ATOM 0 HA ASN A 136 -0.068 16.771 3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -0.360 19.457 2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.735 18.435 2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -1.678 19.006 5.934 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -2.179 17.885 4.664 1.00 0.00 H new ATOM 1650 N TRP A 137 -0.789 15.605 1.372 1.00 0.00 N ATOM 1651 CA TRP A 137 -1.108 14.822 0.183 1.00 0.00 C ATOM 1652 C TRP A 137 -1.802 15.684 -0.866 1.00 0.00 C ATOM 1653 O TRP A 137 -1.546 15.548 -2.062 1.00 0.00 O ATOM 1654 CB TRP A 137 -1.997 13.633 0.553 1.00 0.00 C ATOM 1655 CG TRP A 137 -2.287 12.725 -0.603 1.00 0.00 C ATOM 1656 CD1 TRP A 137 -3.458 12.633 -1.299 1.00 0.00 C ATOM 1657 CD2 TRP A 137 -1.390 11.780 -1.196 1.00 0.00 C ATOM 1658 NE1 TRP A 137 -3.343 11.687 -2.290 1.00 0.00 N ATOM 1659 CE2 TRP A 137 -2.083 11.150 -2.248 1.00 0.00 C ATOM 1660 CE3 TRP A 137 -0.067 11.406 -0.943 1.00 0.00 C ATOM 1661 CZ2 TRP A 137 -1.498 10.167 -3.042 1.00 0.00 C ATOM 1662 CZ3 TRP A 137 0.512 10.431 -1.732 1.00 0.00 C ATOM 1663 CH2 TRP A 137 -0.202 9.821 -2.771 1.00 0.00 C ATOM 0 H TRP A 137 -1.143 15.212 2.244 1.00 0.00 H new ATOM 0 HA TRP A 137 -0.174 14.451 -0.238 1.00 0.00 H new ATOM 0 HB2 TRP A 137 -1.513 13.059 1.344 1.00 0.00 H new ATOM 0 HB3 TRP A 137 -2.938 14.005 0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 137 -4.344 13.217 -1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 137 -4.076 11.427 -2.949 1.00 0.00 H new ATOM 0 HE3 TRP A 137 0.493 11.871 -0.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 -2.047 9.695 -3.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 1.533 10.134 -1.544 1.00 0.00 H new ATOM 0 HH2 TRP A 137 0.280 9.063 -3.370 1.00 0.00 H new ATOM 1674 N ALA A 138 -2.681 16.570 -0.411 1.00 0.00 N ATOM 1675 CA ALA A 138 -3.409 17.456 -1.311 1.00 0.00 C ATOM 1676 C ALA A 138 -2.473 18.467 -1.962 1.00 0.00 C ATOM 1677 O ALA A 138 -2.566 18.729 -3.161 1.00 0.00 O ATOM 1678 CB ALA A 138 -4.523 18.171 -0.560 1.00 0.00 C ATOM 0 H ALA A 138 -2.907 16.694 0.576 1.00 0.00 H new ATOM 0 HA ALA A 138 -3.850 16.849 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -5.059 18.829 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -5.214 17.436 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -4.095 18.761 0.251 1.00 0.00 H new ATOM 1684 N GLU A 139 -1.572 19.033 -1.165 1.00 0.00 N ATOM 1685 CA GLU A 139 -0.621 20.017 -1.665 1.00 0.00 C ATOM 1686 C GLU A 139 0.676 19.345 -2.108 1.00 0.00 C ATOM 1687 O GLU A 139 1.767 19.866 -1.880 1.00 0.00 O ATOM 1688 CB GLU A 139 -0.323 21.065 -0.590 1.00 0.00 C ATOM 1689 CG GLU A 139 -1.570 21.670 0.032 1.00 0.00 C ATOM 1690 CD GLU A 139 -1.326 23.054 0.601 1.00 0.00 C ATOM 1691 OE1 GLU A 139 -0.738 23.149 1.699 1.00 0.00 O ATOM 1692 OE2 GLU A 139 -1.722 24.042 -0.051 1.00 0.00 O ATOM 0 H GLU A 139 -1.481 18.826 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.069 20.510 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.279 20.607 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.278 21.862 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.357 21.724 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.931 21.014 0.824 1.00 0.00 H new ATOM 1699 N ARG A 140 0.546 18.184 -2.742 1.00 0.00 N ATOM 1700 CA ARG A 140 1.706 17.438 -3.215 1.00 0.00 C ATOM 1701 C ARG A 140 2.465 18.229 -4.277 1.00 0.00 C ATOM 1702 O ARG A 140 3.638 17.966 -4.542 1.00 0.00 O ATOM 1703 CB ARG A 140 1.273 16.086 -3.784 1.00 0.00 C ATOM 1704 CG ARG A 140 0.488 16.194 -5.081 1.00 0.00 C ATOM 1705 CD ARG A 140 -0.449 15.011 -5.266 1.00 0.00 C ATOM 1706 NE ARG A 140 -1.210 15.104 -6.509 1.00 0.00 N ATOM 1707 CZ ARG A 140 -1.772 14.059 -7.106 1.00 0.00 C ATOM 1708 NH1 ARG A 140 -1.659 12.849 -6.578 1.00 0.00 N ATOM 1709 NH2 ARG A 140 -2.449 14.224 -8.235 1.00 0.00 N ATOM 0 H ARG A 140 -0.351 17.740 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 140 2.370 17.271 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 140 2.158 15.473 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 140 0.664 15.568 -3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -0.088 17.119 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 140 1.179 16.247 -5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 140 0.129 14.087 -5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -1.138 14.959 -4.423 1.00 0.00 H new ATOM 0 HE ARG A 140 -1.316 16.021 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -1.139 12.718 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -2.092 12.049 -7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -2.538 15.154 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -2.880 13.421 -8.693 1.00 0.00 H new ATOM 1723 N ASP A 141 1.787 19.198 -4.882 1.00 0.00 N ATOM 1724 CA ASP A 141 2.397 20.029 -5.914 1.00 0.00 C ATOM 1725 C ASP A 141 3.680 20.676 -5.403 1.00 0.00 C ATOM 1726 O ASP A 141 4.726 20.600 -6.049 1.00 0.00 O ATOM 1727 CB ASP A 141 1.415 21.107 -6.377 1.00 0.00 C ATOM 1728 CG ASP A 141 0.269 20.536 -7.189 1.00 0.00 C ATOM 1729 OD1 ASP A 141 -0.274 19.484 -6.792 1.00 0.00 O ATOM 1730 OD2 ASP A 141 -0.085 21.143 -8.222 1.00 0.00 O ATOM 0 H ASP A 141 0.815 19.428 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 141 2.647 19.389 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.016 21.628 -5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 141 1.947 21.847 -6.975 1.00 0.00 H new ATOM 1735 N HIS A 142 3.592 21.315 -4.241 1.00 0.00 N ATOM 1736 CA HIS A 142 4.746 21.977 -3.644 1.00 0.00 C ATOM 1737 C HIS A 142 5.479 21.037 -2.691 1.00 0.00 C ATOM 1738 O HIS A 142 5.984 21.460 -1.651 1.00 0.00 O ATOM 1739 CB HIS A 142 4.308 23.238 -2.897 1.00 0.00 C ATOM 1740 CG HIS A 142 3.443 22.959 -1.707 1.00 0.00 C ATOM 1741 ND1 HIS A 142 3.211 21.809 -1.031 1.00 0.00 N flip ATOM 1742 CD2 HIS A 142 2.692 23.930 -1.078 1.00 0.00 C flip ATOM 1743 CE1 HIS A 142 2.334 22.104 -0.016 1.00 0.00 C flip ATOM 1744 NE2 HIS A 142 2.037 23.390 -0.066 1.00 0.00 N flip ATOM 0 H HIS A 142 2.734 21.388 -3.694 1.00 0.00 H new ATOM 0 HA HIS A 142 5.428 22.257 -4.447 1.00 0.00 H new ATOM 0 HB2 HIS A 142 5.194 23.784 -2.572 1.00 0.00 H new ATOM 0 HB3 HIS A 142 3.767 23.888 -3.585 1.00 0.00 H new ATOM 0 HD2 HIS A 142 2.647 24.969 -1.368 1.00 0.00 H new ATOM 0 HE1 HIS A 142 1.950 21.399 0.706 1.00 0.00 H new ATOM 0 HE2 HIS A 142 1.409 23.882 0.569 1.00 0.00 H new ATOM 1752 N PHE A 143 5.533 19.760 -3.054 1.00 0.00 N ATOM 1753 CA PHE A 143 6.203 18.759 -2.231 1.00 0.00 C ATOM 1754 C PHE A 143 7.667 19.128 -2.010 1.00 0.00 C ATOM 1755 O PHE A 143 8.444 19.227 -2.960 1.00 0.00 O ATOM 1756 CB PHE A 143 6.106 17.381 -2.888 1.00 0.00 C ATOM 1757 CG PHE A 143 6.808 16.299 -2.117 1.00 0.00 C ATOM 1758 CD1 PHE A 143 8.178 16.127 -2.230 1.00 0.00 C ATOM 1759 CD2 PHE A 143 6.098 15.454 -1.280 1.00 0.00 C ATOM 1760 CE1 PHE A 143 8.828 15.133 -1.522 1.00 0.00 C ATOM 1761 CE2 PHE A 143 6.742 14.459 -0.569 1.00 0.00 C ATOM 1762 CZ PHE A 143 8.108 14.298 -0.691 1.00 0.00 C ATOM 0 H PHE A 143 5.121 19.394 -3.912 1.00 0.00 H new ATOM 0 HA PHE A 143 5.704 18.728 -1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 143 5.055 17.114 -2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 143 6.529 17.435 -3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 143 8.745 16.777 -2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 143 5.029 15.574 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 143 9.897 15.010 -1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 143 6.177 13.808 0.082 1.00 0.00 H new ATOM 0 HZ PHE A 143 8.612 13.520 -0.137 1.00 0.00 H new ATOM 1772 N VAL A 144 8.036 19.332 -0.749 1.00 0.00 N ATOM 1773 CA VAL A 144 9.406 19.689 -0.402 1.00 0.00 C ATOM 1774 C VAL A 144 10.184 18.473 0.089 1.00 0.00 C ATOM 1775 O VAL A 144 9.722 17.739 0.962 1.00 0.00 O ATOM 1776 CB VAL A 144 9.443 20.781 0.684 1.00 0.00 C ATOM 1777 CG1 VAL A 144 10.880 21.129 1.043 1.00 0.00 C ATOM 1778 CG2 VAL A 144 8.686 22.017 0.222 1.00 0.00 C ATOM 0 H VAL A 144 7.405 19.256 0.049 1.00 0.00 H new ATOM 0 HA VAL A 144 9.873 20.073 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 144 8.953 20.396 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 144 10.886 21.902 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 144 11.387 20.240 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 144 11.398 21.495 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 144 8.722 22.778 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 144 9.145 22.406 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.648 21.754 0.020 1.00 0.00 H new ATOM 1788 N SER A 145 11.368 18.267 -0.478 1.00 0.00 N ATOM 1789 CA SER A 145 12.210 17.138 -0.101 1.00 0.00 C ATOM 1790 C SER A 145 13.289 17.571 0.887 1.00 0.00 C ATOM 1791 O SER A 145 14.283 18.190 0.506 1.00 0.00 O ATOM 1792 CB SER A 145 12.856 16.519 -1.342 1.00 0.00 C ATOM 1793 OG SER A 145 13.716 17.445 -1.984 1.00 0.00 O ATOM 0 H SER A 145 11.766 18.867 -1.200 1.00 0.00 H new ATOM 0 HA SER A 145 11.579 16.391 0.381 1.00 0.00 H new ATOM 0 HB2 SER A 145 13.420 15.631 -1.058 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.081 16.196 -2.037 1.00 0.00 H new ATOM 0 HG SER A 145 14.113 18.041 -1.315 1.00 0.00 H new ATOM 1799 N HIS A 146 13.086 17.240 2.158 1.00 0.00 N ATOM 1800 CA HIS A 146 14.042 17.594 3.202 1.00 0.00 C ATOM 1801 C HIS A 146 15.228 16.635 3.200 1.00 0.00 C ATOM 1802 O HIS A 146 15.114 15.468 2.824 1.00 0.00 O ATOM 1803 CB HIS A 146 13.362 17.580 4.571 1.00 0.00 C ATOM 1804 CG HIS A 146 12.149 18.455 4.647 1.00 0.00 C ATOM 1805 ND1 HIS A 146 12.207 19.797 4.958 1.00 0.00 N ATOM 1806 CD2 HIS A 146 10.840 18.173 4.447 1.00 0.00 C ATOM 1807 CE1 HIS A 146 10.986 20.303 4.948 1.00 0.00 C ATOM 1808 NE2 HIS A 146 10.139 19.338 4.640 1.00 0.00 N ATOM 0 H HIS A 146 12.269 16.728 2.490 1.00 0.00 H new ATOM 0 HA HIS A 146 14.410 18.599 2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 146 13.077 16.557 4.816 1.00 0.00 H new ATOM 0 HB3 HIS A 146 14.079 17.901 5.327 1.00 0.00 H new ATOM 0 HD2 HIS A 146 10.425 17.211 4.185 1.00 0.00 H new ATOM 0 HE1 HIS A 146 10.726 21.330 5.156 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.128 19.441 4.559 1.00 0.00 H new ATOM 1816 N PRO A 147 16.396 17.136 3.629 1.00 0.00 N ATOM 1817 CA PRO A 147 17.626 16.340 3.686 1.00 0.00 C ATOM 1818 C PRO A 147 17.575 15.271 4.772 1.00 0.00 C ATOM 1819 O PRO A 147 17.628 15.577 5.962 1.00 0.00 O ATOM 1820 CB PRO A 147 18.705 17.377 4.008 1.00 0.00 C ATOM 1821 CG PRO A 147 17.978 18.476 4.704 1.00 0.00 C ATOM 1822 CD PRO A 147 16.606 18.518 4.092 1.00 0.00 C ATOM 0 HA PRO A 147 17.802 15.795 2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 147 19.484 16.954 4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 147 19.192 17.736 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 147 17.921 18.288 5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 147 18.493 19.428 4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 147 15.851 18.817 4.819 1.00 0.00 H new ATOM 0 HD3 PRO A 147 16.555 19.230 3.268 1.00 0.00 H new ATOM 1830 N GLY A 148 17.470 14.013 4.352 1.00 0.00 N ATOM 1831 CA GLY A 148 17.414 12.917 5.302 1.00 0.00 C ATOM 1832 C GLY A 148 16.030 12.306 5.401 1.00 0.00 C ATOM 1833 O GLY A 148 15.888 11.094 5.563 1.00 0.00 O ATOM 0 H GLY A 148 17.423 13.734 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 148 18.127 12.147 5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 148 17.721 13.276 6.285 1.00 0.00 H new ATOM 1837 N LYS A 149 15.006 13.147 5.304 1.00 0.00 N ATOM 1838 CA LYS A 149 13.625 12.685 5.383 1.00 0.00 C ATOM 1839 C LYS A 149 13.287 11.777 4.206 1.00 0.00 C ATOM 1840 O LYS A 149 14.131 11.514 3.349 1.00 0.00 O ATOM 1841 CB LYS A 149 12.667 13.878 5.413 1.00 0.00 C ATOM 1842 CG LYS A 149 12.689 14.643 6.725 1.00 0.00 C ATOM 1843 CD LYS A 149 12.046 13.846 7.847 1.00 0.00 C ATOM 1844 CE LYS A 149 10.536 13.775 7.685 1.00 0.00 C ATOM 1845 NZ LYS A 149 9.903 12.942 8.745 1.00 0.00 N ATOM 0 H LYS A 149 15.106 14.153 5.170 1.00 0.00 H new ATOM 0 HA LYS A 149 13.512 12.113 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 149 12.922 14.559 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 149 11.653 13.524 5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 149 13.719 14.881 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 149 12.164 15.590 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 149 12.459 12.838 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 149 12.289 14.304 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 149 10.120 14.782 7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 149 10.295 13.361 6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 8.872 12.932 8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 10.269 11.970 8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 10.126 13.341 9.679 1.00 0.00 H new ATOM 1859 N TYR A 150 12.047 11.301 4.168 1.00 0.00 N ATOM 1860 CA TYR A 150 11.598 10.421 3.096 1.00 0.00 C ATOM 1861 C TYR A 150 11.246 11.222 1.846 1.00 0.00 C ATOM 1862 O TYR A 150 10.610 12.274 1.926 1.00 0.00 O ATOM 1863 CB TYR A 150 10.387 9.605 3.550 1.00 0.00 C ATOM 1864 CG TYR A 150 10.753 8.324 4.264 1.00 0.00 C ATOM 1865 CD1 TYR A 150 10.980 8.309 5.635 1.00 0.00 C ATOM 1866 CD2 TYR A 150 10.873 7.127 3.567 1.00 0.00 C ATOM 1867 CE1 TYR A 150 11.316 7.141 6.291 1.00 0.00 C ATOM 1868 CE2 TYR A 150 11.207 5.954 4.215 1.00 0.00 C ATOM 1869 CZ TYR A 150 11.428 5.966 5.577 1.00 0.00 C ATOM 1870 OH TYR A 150 11.762 4.799 6.226 1.00 0.00 O ATOM 0 H TYR A 150 11.335 11.510 4.868 1.00 0.00 H new ATOM 0 HA TYR A 150 12.415 9.741 2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 150 9.774 10.217 4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 150 9.775 9.364 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 150 10.892 9.227 6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 150 10.702 7.114 2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 150 11.490 7.148 7.357 1.00 0.00 H new ATOM 0 HE2 TYR A 150 11.295 5.032 3.659 1.00 0.00 H new ATOM 0 HH TYR A 150 12.696 4.843 6.518 1.00 0.00 H new ATOM 1880 N THR A 151 11.663 10.716 0.690 1.00 0.00 N ATOM 1881 CA THR A 151 11.393 11.383 -0.578 1.00 0.00 C ATOM 1882 C THR A 151 10.200 10.753 -1.287 1.00 0.00 C ATOM 1883 O THR A 151 9.750 9.666 -0.922 1.00 0.00 O ATOM 1884 CB THR A 151 12.617 11.330 -1.512 1.00 0.00 C ATOM 1885 OG1 THR A 151 13.138 9.997 -1.563 1.00 0.00 O ATOM 1886 CG2 THR A 151 13.702 12.285 -1.038 1.00 0.00 C ATOM 0 H THR A 151 12.189 9.846 0.605 1.00 0.00 H new ATOM 0 HA THR A 151 11.167 12.424 -0.346 1.00 0.00 H new ATOM 0 HB THR A 151 12.298 11.634 -2.509 1.00 0.00 H new ATOM 0 HG1 THR A 151 13.915 9.972 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 151 14.556 12.230 -1.713 1.00 0.00 H new ATOM 0 HG22 THR A 151 13.312 13.303 -1.029 1.00 0.00 H new ATOM 0 HG23 THR A 151 14.017 12.008 -0.032 1.00 0.00 H new ATOM 1894 N LEU A 152 9.691 11.442 -2.303 1.00 0.00 N ATOM 1895 CA LEU A 152 8.548 10.949 -3.065 1.00 0.00 C ATOM 1896 C LEU A 152 8.973 10.514 -4.464 1.00 0.00 C ATOM 1897 O LEU A 152 9.431 11.330 -5.265 1.00 0.00 O ATOM 1898 CB LEU A 152 7.470 12.030 -3.160 1.00 0.00 C ATOM 1899 CG LEU A 152 6.025 11.532 -3.228 1.00 0.00 C ATOM 1900 CD1 LEU A 152 5.062 12.703 -3.342 1.00 0.00 C ATOM 1901 CD2 LEU A 152 5.845 10.575 -4.397 1.00 0.00 C ATOM 0 H LEU A 152 10.051 12.343 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 152 8.141 10.083 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 152 7.566 12.688 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 152 7.667 12.635 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 152 5.803 10.994 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.039 12.330 -3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 152 5.172 13.351 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 152 5.284 13.270 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 152 4.811 10.231 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.086 11.088 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 152 6.508 9.719 -4.272 1.00 0.00 H new ATOM 1913 N ILE A 153 8.817 9.227 -4.750 1.00 0.00 N ATOM 1914 CA ILE A 153 9.182 8.685 -6.053 1.00 0.00 C ATOM 1915 C ILE A 153 7.976 8.056 -6.744 1.00 0.00 C ATOM 1916 O ILE A 153 6.905 7.931 -6.151 1.00 0.00 O ATOM 1917 CB ILE A 153 10.297 7.630 -5.932 1.00 0.00 C ATOM 1918 CG1 ILE A 153 10.147 6.844 -4.628 1.00 0.00 C ATOM 1919 CG2 ILE A 153 11.664 8.295 -6.002 1.00 0.00 C ATOM 1920 CD1 ILE A 153 10.745 7.544 -3.428 1.00 0.00 C ATOM 0 H ILE A 153 8.440 8.540 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 153 9.547 9.520 -6.651 1.00 0.00 H new ATOM 0 HB ILE A 153 10.210 6.933 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.088 6.663 -4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 153 10.622 5.870 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 153 12.442 7.537 -5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 153 11.768 8.814 -6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 153 11.762 9.011 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 153 10.602 6.929 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 153 11.811 7.701 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 153 10.254 8.507 -3.286 1.00 0.00 H new ATOM 1932 N GLU A 154 8.160 7.661 -8.000 1.00 0.00 N ATOM 1933 CA GLU A 154 7.087 7.044 -8.771 1.00 0.00 C ATOM 1934 C GLU A 154 7.521 5.688 -9.319 1.00 0.00 C ATOM 1935 O GLU A 154 6.959 5.191 -10.295 1.00 0.00 O ATOM 1936 CB GLU A 154 6.664 7.960 -9.921 1.00 0.00 C ATOM 1937 CG GLU A 154 7.809 8.351 -10.840 1.00 0.00 C ATOM 1938 CD GLU A 154 7.421 9.435 -11.827 1.00 0.00 C ATOM 1939 OE1 GLU A 154 6.735 10.394 -11.416 1.00 0.00 O ATOM 1940 OE2 GLU A 154 7.803 9.324 -13.011 1.00 0.00 O ATOM 0 H GLU A 154 9.041 7.757 -8.505 1.00 0.00 H new ATOM 0 HA GLU A 154 6.237 6.892 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 154 5.893 7.460 -10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 154 6.215 8.864 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 154 8.650 8.696 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 154 8.148 7.471 -11.387 1.00 0.00 H new ATOM 1947 N VAL A 155 8.526 5.093 -8.683 1.00 0.00 N ATOM 1948 CA VAL A 155 9.036 3.795 -9.106 1.00 0.00 C ATOM 1949 C VAL A 155 9.214 3.740 -10.619 1.00 0.00 C ATOM 1950 O VAL A 155 9.006 4.734 -11.314 1.00 0.00 O ATOM 1951 CB VAL A 155 8.099 2.654 -8.668 1.00 0.00 C ATOM 1952 CG1 VAL A 155 6.985 2.458 -9.685 1.00 0.00 C ATOM 1953 CG2 VAL A 155 8.884 1.366 -8.471 1.00 0.00 C ATOM 0 H VAL A 155 9.002 5.490 -7.873 1.00 0.00 H new ATOM 0 HA VAL A 155 10.005 3.664 -8.625 1.00 0.00 H new ATOM 0 HB VAL A 155 7.645 2.926 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 155 6.333 1.648 -9.359 1.00 0.00 H new ATOM 0 HG12 VAL A 155 6.406 3.377 -9.772 1.00 0.00 H new ATOM 0 HG13 VAL A 155 7.417 2.208 -10.654 1.00 0.00 H new ATOM 0 HG21 VAL A 155 8.206 0.570 -8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 155 9.367 1.087 -9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 155 9.642 1.516 -7.702 1.00 0.00 H new ATOM 1963 N GLN A 156 9.599 2.571 -11.122 1.00 0.00 N ATOM 1964 CA GLN A 156 9.805 2.387 -12.554 1.00 0.00 C ATOM 1965 C GLN A 156 9.236 1.051 -13.018 1.00 0.00 C ATOM 1966 O GLN A 156 9.715 -0.011 -12.620 1.00 0.00 O ATOM 1967 CB GLN A 156 11.295 2.465 -12.890 1.00 0.00 C ATOM 1968 CG GLN A 156 12.079 1.232 -12.469 1.00 0.00 C ATOM 1969 CD GLN A 156 12.148 0.183 -13.561 1.00 0.00 C ATOM 1970 OE1 GLN A 156 11.784 -0.974 -13.350 1.00 0.00 O ATOM 1971 NE2 GLN A 156 12.617 0.583 -14.738 1.00 0.00 N ATOM 0 H GLN A 156 9.774 1.738 -10.560 1.00 0.00 H new ATOM 0 HA GLN A 156 9.280 3.186 -13.077 1.00 0.00 H new ATOM 0 HB2 GLN A 156 11.410 2.609 -13.964 1.00 0.00 H new ATOM 0 HB3 GLN A 156 11.723 3.341 -12.403 1.00 0.00 H new ATOM 0 HG2 GLN A 156 13.090 1.527 -12.190 1.00 0.00 H new ATOM 0 HG3 GLN A 156 11.617 0.798 -11.582 1.00 0.00 H new ATOM 0 HE21 GLN A 156 12.908 1.552 -14.869 1.00 0.00 H new ATOM 0 HE22 GLN A 156 12.686 -0.079 -15.511 1.00 0.00 H new ATOM 1980 N ALA A 157 8.211 1.111 -13.862 1.00 0.00 N ATOM 1981 CA ALA A 157 7.577 -0.095 -14.381 1.00 0.00 C ATOM 1982 C ALA A 157 8.605 -1.195 -14.622 1.00 0.00 C ATOM 1983 O ALA A 157 8.436 -2.033 -15.509 1.00 0.00 O ATOM 1984 CB ALA A 157 6.824 0.217 -15.666 1.00 0.00 C ATOM 0 H ALA A 157 7.802 1.982 -14.201 1.00 0.00 H new ATOM 0 HA ALA A 157 6.868 -0.454 -13.635 1.00 0.00 H new ATOM 0 HB1 ALA A 157 6.355 -0.692 -16.043 1.00 0.00 H new ATOM 0 HB2 ALA A 157 6.057 0.965 -15.466 1.00 0.00 H new ATOM 0 HB3 ALA A 157 7.520 0.602 -16.411 1.00 0.00 H new TER 1990 ALA A 157