USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1078 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 130 TYR OH : rot 180:sc= -0.0102 USER MOD Set 1.2: A 134 MET CE :methyl 147:sc= -2.23! (180deg=-4.79!) USER MOD Set 2.1: A 101 THR OG1 : rot -37:sc= 0.884 USER MOD Set 2.2: A 104 SER OG : rot -120:sc= 1.44 USER MOD Set 3.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 90 LYS NZ :NH3+ 143:sc= 0.303 (180deg=-0.0508) USER MOD Set 4.1: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 94 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0484 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.055 USER MOD Single : A 6 SER OG : rot 30:sc= 0.787 USER MOD Single : A 8 SER OG : rot 180:sc= -0.511 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -116:sc= -0.983 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 0.0781 (180deg=-0.0657) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -49:sc= 0.91 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0597 K(o=-0.06,f=-2.6) USER MOD Single : A 51 CYS SG : rot 120:sc= -2.29 USER MOD Single : A 55 LYS NZ :NH3+ -138:sc= -1.37 (180deg=-3.47!) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.0244 (180deg=-0.241) USER MOD Single : A 57 SER OG : rot 58:sc= -1.33 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.1!) USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= -0.522 (180deg=-1.52!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -3.83! X(o=-3.8!,f=-3.5) USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 1.08 (180deg=0.489) USER MOD Single : A 84 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.41) USER MOD Single : A 88 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.26) USER MOD Single : A 89 THR OG1 : rot 48:sc= -0.108 USER MOD Single : A 95 ASN :FLIP amide:sc= -0.435 F(o=-1.5,f=-0.43) USER MOD Single : A 96 SER OG : rot 94:sc= 1.17 USER MOD Single : A 98 THR OG1 : rot -24:sc= 0.185 USER MOD Single : A 99 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.145 F(o=-0.72,f=-0.14) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= -0.414 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 MET CE :methyl -118:sc= -1.8 (180deg=-5.93!) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0687 F(o=-0.63,f=-0.069) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 121 TYR OH : rot 154:sc= -0.0513 USER MOD Single : A 122 THR OG1 : rot -25:sc= -0.407 USER MOD Single : A 126 LYS NZ :NH3+ -149:sc= -0.0711 (180deg=-1.19) USER MOD Single : A 127 SER OG : rot -57:sc= 1.18 USER MOD Single : A 135 SER OG : rot -55:sc= 0.0574 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 167:sc= 0.204 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.054 5.036 -0.238 1.00 0.00 N ATOM 2 CA GLY A 1 -27.649 6.112 0.648 1.00 0.00 C ATOM 3 C GLY A 1 -26.235 6.586 0.374 1.00 0.00 C ATOM 4 O GLY A 1 -25.431 5.858 -0.209 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.656 5.418 -0.995 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.210 4.594 -0.656 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.586 4.324 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.338 6.949 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.722 5.775 1.682 1.00 0.00 H new ATOM 8 N SER A 2 -25.931 7.809 0.795 1.00 0.00 N ATOM 9 CA SER A 2 -24.606 8.381 0.588 1.00 0.00 C ATOM 10 C SER A 2 -23.524 7.468 1.157 1.00 0.00 C ATOM 11 O SER A 2 -23.565 7.095 2.330 1.00 0.00 O ATOM 12 CB SER A 2 -24.516 9.764 1.239 1.00 0.00 C ATOM 13 OG SER A 2 -23.211 10.301 1.117 1.00 0.00 O ATOM 0 H SER A 2 -26.584 8.423 1.282 1.00 0.00 H new ATOM 0 HA SER A 2 -24.445 8.481 -0.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.235 10.437 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.786 9.692 2.293 1.00 0.00 H new ATOM 0 HG SER A 2 -23.180 11.185 1.539 1.00 0.00 H new ATOM 19 N SER A 3 -22.557 7.111 0.317 1.00 0.00 N ATOM 20 CA SER A 3 -21.468 6.238 0.734 1.00 0.00 C ATOM 21 C SER A 3 -20.252 6.417 -0.172 1.00 0.00 C ATOM 22 O SER A 3 -20.307 6.133 -1.368 1.00 0.00 O ATOM 23 CB SER A 3 -21.920 4.777 0.716 1.00 0.00 C ATOM 24 OG SER A 3 -20.905 3.922 1.213 1.00 0.00 O ATOM 0 H SER A 3 -22.507 7.413 -0.656 1.00 0.00 H new ATOM 0 HA SER A 3 -21.186 6.510 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.821 4.665 1.318 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.179 4.486 -0.302 1.00 0.00 H new ATOM 0 HG SER A 3 -21.220 2.994 1.192 1.00 0.00 H new ATOM 30 N GLY A 4 -19.154 6.890 0.409 1.00 0.00 N ATOM 31 CA GLY A 4 -17.940 7.099 -0.359 1.00 0.00 C ATOM 32 C GLY A 4 -17.471 5.838 -1.056 1.00 0.00 C ATOM 33 O GLY A 4 -17.150 4.843 -0.406 1.00 0.00 O ATOM 0 H GLY A 4 -19.083 7.132 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.113 7.878 -1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.152 7.459 0.303 1.00 0.00 H new ATOM 37 N SER A 5 -17.431 5.879 -2.384 1.00 0.00 N ATOM 38 CA SER A 5 -17.002 4.727 -3.170 1.00 0.00 C ATOM 39 C SER A 5 -15.518 4.448 -2.960 1.00 0.00 C ATOM 40 O SER A 5 -14.794 5.269 -2.398 1.00 0.00 O ATOM 41 CB SER A 5 -17.283 4.966 -4.656 1.00 0.00 C ATOM 42 OG SER A 5 -17.069 3.786 -5.411 1.00 0.00 O ATOM 0 H SER A 5 -17.690 6.696 -2.938 1.00 0.00 H new ATOM 0 HA SER A 5 -17.567 3.858 -2.835 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.312 5.303 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.638 5.762 -5.028 1.00 0.00 H new ATOM 0 HG SER A 5 -17.257 3.964 -6.356 1.00 0.00 H new ATOM 48 N SER A 6 -15.071 3.282 -3.416 1.00 0.00 N ATOM 49 CA SER A 6 -13.673 2.891 -3.274 1.00 0.00 C ATOM 50 C SER A 6 -13.270 1.909 -4.371 1.00 0.00 C ATOM 51 O SER A 6 -13.776 0.789 -4.433 1.00 0.00 O ATOM 52 CB SER A 6 -13.433 2.264 -1.900 1.00 0.00 C ATOM 53 OG SER A 6 -14.123 1.033 -1.773 1.00 0.00 O ATOM 0 H SER A 6 -15.656 2.592 -3.887 1.00 0.00 H new ATOM 0 HA SER A 6 -13.060 3.787 -3.368 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.365 2.103 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.763 2.951 -1.121 1.00 0.00 H new ATOM 0 HG SER A 6 -14.197 0.607 -2.653 1.00 0.00 H new ATOM 59 N GLY A 7 -12.356 2.339 -5.235 1.00 0.00 N ATOM 60 CA GLY A 7 -11.899 1.486 -6.317 1.00 0.00 C ATOM 61 C GLY A 7 -12.401 1.950 -7.671 1.00 0.00 C ATOM 62 O GLY A 7 -13.114 1.220 -8.360 1.00 0.00 O ATOM 0 H GLY A 7 -11.924 3.262 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.809 1.465 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.236 0.465 -6.138 1.00 0.00 H new ATOM 66 N SER A 8 -12.029 3.168 -8.052 1.00 0.00 N ATOM 67 CA SER A 8 -12.450 3.730 -9.330 1.00 0.00 C ATOM 68 C SER A 8 -11.904 2.907 -10.492 1.00 0.00 C ATOM 69 O SER A 8 -10.769 2.429 -10.470 1.00 0.00 O ATOM 70 CB SER A 8 -11.980 5.181 -9.453 1.00 0.00 C ATOM 71 OG SER A 8 -12.434 5.764 -10.661 1.00 0.00 O ATOM 0 H SER A 8 -11.437 3.784 -7.494 1.00 0.00 H new ATOM 0 HA SER A 8 -13.539 3.704 -9.369 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.349 5.759 -8.606 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.891 5.218 -9.414 1.00 0.00 H new ATOM 0 HG SER A 8 -12.122 6.691 -10.714 1.00 0.00 H new ATOM 77 N PRO A 9 -12.730 2.737 -11.535 1.00 0.00 N ATOM 78 CA PRO A 9 -12.353 1.972 -12.727 1.00 0.00 C ATOM 79 C PRO A 9 -11.291 2.682 -13.559 1.00 0.00 C ATOM 80 O PRO A 9 -10.792 2.135 -14.543 1.00 0.00 O ATOM 81 CB PRO A 9 -13.664 1.866 -13.510 1.00 0.00 C ATOM 82 CG PRO A 9 -14.464 3.042 -13.070 1.00 0.00 C ATOM 83 CD PRO A 9 -14.096 3.277 -11.631 1.00 0.00 C ATOM 0 HA PRO A 9 -11.915 1.007 -12.471 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.486 1.888 -14.585 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.181 0.932 -13.292 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.238 3.918 -13.679 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.532 2.849 -13.173 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.128 4.336 -11.376 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.779 2.765 -10.953 1.00 0.00 H new ATOM 91 N GLU A 10 -10.949 3.902 -13.159 1.00 0.00 N ATOM 92 CA GLU A 10 -9.946 4.686 -13.869 1.00 0.00 C ATOM 93 C GLU A 10 -8.554 4.439 -13.294 1.00 0.00 C ATOM 94 O GLU A 10 -7.589 4.256 -14.034 1.00 0.00 O ATOM 95 CB GLU A 10 -10.285 6.176 -13.793 1.00 0.00 C ATOM 96 CG GLU A 10 -9.194 7.077 -14.351 1.00 0.00 C ATOM 97 CD GLU A 10 -9.580 8.543 -14.327 1.00 0.00 C ATOM 98 OE1 GLU A 10 -10.794 8.836 -14.294 1.00 0.00 O ATOM 99 OE2 GLU A 10 -8.669 9.397 -14.342 1.00 0.00 O ATOM 0 H GLU A 10 -11.352 4.369 -12.347 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.949 4.373 -14.913 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.210 6.358 -14.340 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.471 6.445 -12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.281 6.936 -13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.972 6.780 -15.376 1.00 0.00 H new ATOM 106 N GLU A 11 -8.461 4.437 -11.967 1.00 0.00 N ATOM 107 CA GLU A 11 -7.188 4.215 -11.292 1.00 0.00 C ATOM 108 C GLU A 11 -6.738 2.765 -11.444 1.00 0.00 C ATOM 109 O GLU A 11 -5.566 2.491 -11.704 1.00 0.00 O ATOM 110 CB GLU A 11 -7.302 4.572 -9.809 1.00 0.00 C ATOM 111 CG GLU A 11 -8.410 3.824 -9.087 1.00 0.00 C ATOM 112 CD GLU A 11 -8.720 4.414 -7.724 1.00 0.00 C ATOM 113 OE1 GLU A 11 -8.486 5.626 -7.534 1.00 0.00 O ATOM 114 OE2 GLU A 11 -9.199 3.663 -6.848 1.00 0.00 O ATOM 0 H GLU A 11 -9.251 4.586 -11.340 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.442 4.860 -11.757 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.352 4.359 -9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.477 5.644 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.312 3.839 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.122 2.779 -8.970 1.00 0.00 H new ATOM 121 N ALA A 12 -7.677 1.839 -11.279 1.00 0.00 N ATOM 122 CA ALA A 12 -7.379 0.418 -11.399 1.00 0.00 C ATOM 123 C ALA A 12 -6.861 0.081 -12.793 1.00 0.00 C ATOM 124 O ALA A 12 -5.782 -0.492 -12.944 1.00 0.00 O ATOM 125 CB ALA A 12 -8.615 -0.410 -11.080 1.00 0.00 C ATOM 0 H ALA A 12 -8.651 2.048 -11.062 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.597 0.175 -10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.377 -1.470 -11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.941 -0.200 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.414 -0.154 -11.776 1.00 0.00 H new ATOM 131 N VAL A 13 -7.637 0.441 -13.811 1.00 0.00 N ATOM 132 CA VAL A 13 -7.257 0.177 -15.193 1.00 0.00 C ATOM 133 C VAL A 13 -5.799 0.551 -15.443 1.00 0.00 C ATOM 134 O VAL A 13 -5.095 -0.120 -16.198 1.00 0.00 O ATOM 135 CB VAL A 13 -8.149 0.953 -16.179 1.00 0.00 C ATOM 136 CG1 VAL A 13 -8.120 2.441 -15.869 1.00 0.00 C ATOM 137 CG2 VAL A 13 -7.714 0.690 -17.613 1.00 0.00 C ATOM 0 H VAL A 13 -8.533 0.916 -13.704 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.390 -0.892 -15.358 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.175 0.603 -16.065 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.756 2.973 -16.577 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.485 2.609 -14.856 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.098 2.810 -15.952 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.356 1.247 -18.296 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.680 1.010 -17.744 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.794 -0.376 -17.828 1.00 0.00 H new ATOM 147 N LYS A 14 -5.352 1.625 -14.802 1.00 0.00 N ATOM 148 CA LYS A 14 -3.977 2.088 -14.951 1.00 0.00 C ATOM 149 C LYS A 14 -3.020 1.223 -14.138 1.00 0.00 C ATOM 150 O LYS A 14 -1.998 0.763 -14.649 1.00 0.00 O ATOM 151 CB LYS A 14 -3.860 3.550 -14.512 1.00 0.00 C ATOM 152 CG LYS A 14 -4.712 4.502 -15.332 1.00 0.00 C ATOM 153 CD LYS A 14 -4.555 5.938 -14.861 1.00 0.00 C ATOM 154 CE LYS A 14 -5.661 6.828 -15.406 1.00 0.00 C ATOM 155 NZ LYS A 14 -5.313 7.392 -16.739 1.00 0.00 N ATOM 0 H LYS A 14 -5.922 2.192 -14.174 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.705 2.008 -16.003 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.148 3.630 -13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.817 3.859 -14.581 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.431 4.430 -16.383 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.759 4.207 -15.261 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.566 5.968 -13.771 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.586 6.323 -15.180 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.584 6.253 -15.485 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.851 7.642 -14.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.092 7.993 -17.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.446 7.961 -16.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.157 6.616 -17.414 1.00 0.00 H new ATOM 169 N TRP A 15 -3.357 1.004 -12.873 1.00 0.00 N ATOM 170 CA TRP A 15 -2.527 0.192 -11.990 1.00 0.00 C ATOM 171 C TRP A 15 -1.909 -0.977 -12.748 1.00 0.00 C ATOM 172 O TRP A 15 -0.696 -1.181 -12.712 1.00 0.00 O ATOM 173 CB TRP A 15 -3.354 -0.327 -10.813 1.00 0.00 C ATOM 174 CG TRP A 15 -3.846 0.762 -9.907 1.00 0.00 C ATOM 175 CD1 TRP A 15 -3.373 2.041 -9.830 1.00 0.00 C ATOM 176 CD2 TRP A 15 -4.904 0.666 -8.948 1.00 0.00 C ATOM 177 NE1 TRP A 15 -4.074 2.745 -8.882 1.00 0.00 N ATOM 178 CE2 TRP A 15 -5.019 1.924 -8.327 1.00 0.00 C ATOM 179 CE3 TRP A 15 -5.768 -0.360 -8.555 1.00 0.00 C ATOM 180 CZ2 TRP A 15 -5.963 2.181 -7.334 1.00 0.00 C ATOM 181 CZ3 TRP A 15 -6.703 -0.105 -7.570 1.00 0.00 C ATOM 182 CH2 TRP A 15 -6.794 1.158 -6.969 1.00 0.00 C ATOM 0 H TRP A 15 -4.199 1.377 -12.435 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.722 0.820 -11.609 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.208 -0.885 -11.196 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.750 -1.026 -10.234 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.566 2.440 -10.427 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.916 3.721 -8.632 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.706 -1.336 -9.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.036 3.153 -6.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.374 -0.891 -7.258 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -7.535 1.327 -6.202 1.00 0.00 H new ATOM 193 N GLY A 16 -2.751 -1.745 -13.434 1.00 0.00 N ATOM 194 CA GLY A 16 -2.268 -2.884 -14.191 1.00 0.00 C ATOM 195 C GLY A 16 -1.015 -2.566 -14.981 1.00 0.00 C ATOM 196 O GLY A 16 -0.088 -3.374 -15.039 1.00 0.00 O ATOM 0 H GLY A 16 -3.759 -1.598 -13.478 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.064 -3.709 -13.509 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.049 -3.220 -14.874 1.00 0.00 H new ATOM 200 N GLU A 17 -0.986 -1.386 -15.593 1.00 0.00 N ATOM 201 CA GLU A 17 0.163 -0.965 -16.386 1.00 0.00 C ATOM 202 C GLU A 17 1.457 -1.538 -15.817 1.00 0.00 C ATOM 203 O GLU A 17 2.176 -2.270 -16.497 1.00 0.00 O ATOM 204 CB GLU A 17 0.245 0.562 -16.435 1.00 0.00 C ATOM 205 CG GLU A 17 -0.717 1.193 -17.426 1.00 0.00 C ATOM 206 CD GLU A 17 -0.838 2.695 -17.247 1.00 0.00 C ATOM 207 OE1 GLU A 17 -1.556 3.126 -16.322 1.00 0.00 O ATOM 208 OE2 GLU A 17 -0.213 3.436 -18.034 1.00 0.00 O ATOM 0 H GLU A 17 -1.745 -0.705 -15.555 1.00 0.00 H new ATOM 0 HA GLU A 17 0.033 -1.347 -17.399 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.042 0.960 -15.441 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.263 0.854 -16.693 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.381 0.978 -18.440 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.701 0.737 -17.313 1.00 0.00 H new ATOM 215 N SER A 18 1.746 -1.200 -14.564 1.00 0.00 N ATOM 216 CA SER A 18 2.955 -1.676 -13.904 1.00 0.00 C ATOM 217 C SER A 18 2.746 -1.778 -12.395 1.00 0.00 C ATOM 218 O SER A 18 1.879 -1.110 -11.831 1.00 0.00 O ATOM 219 CB SER A 18 4.129 -0.743 -14.206 1.00 0.00 C ATOM 220 OG SER A 18 3.847 0.582 -13.789 1.00 0.00 O ATOM 0 H SER A 18 1.159 -0.598 -13.986 1.00 0.00 H new ATOM 0 HA SER A 18 3.182 -2.670 -14.290 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.024 -1.104 -13.700 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.341 -0.754 -15.275 1.00 0.00 H new ATOM 0 HG SER A 18 3.824 1.173 -14.570 1.00 0.00 H new ATOM 226 N PHE A 19 3.548 -2.618 -11.749 1.00 0.00 N ATOM 227 CA PHE A 19 3.451 -2.809 -10.306 1.00 0.00 C ATOM 228 C PHE A 19 3.615 -1.482 -9.570 1.00 0.00 C ATOM 229 O PHE A 19 2.929 -1.219 -8.583 1.00 0.00 O ATOM 230 CB PHE A 19 4.511 -3.804 -9.830 1.00 0.00 C ATOM 231 CG PHE A 19 4.489 -4.039 -8.347 1.00 0.00 C ATOM 232 CD1 PHE A 19 3.305 -4.361 -7.701 1.00 0.00 C ATOM 233 CD2 PHE A 19 5.650 -3.940 -7.598 1.00 0.00 C ATOM 234 CE1 PHE A 19 3.280 -4.579 -6.337 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.632 -4.159 -6.233 1.00 0.00 C ATOM 236 CZ PHE A 19 4.446 -4.477 -5.602 1.00 0.00 C ATOM 0 H PHE A 19 4.272 -3.177 -12.201 1.00 0.00 H new ATOM 0 HA PHE A 19 2.462 -3.208 -10.083 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.362 -4.754 -10.343 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.497 -3.438 -10.117 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.391 -4.442 -8.271 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.580 -3.689 -8.086 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.351 -4.829 -5.846 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.545 -4.081 -5.661 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.429 -4.646 -4.535 1.00 0.00 H new ATOM 246 N ASP A 20 4.530 -0.652 -10.058 1.00 0.00 N ATOM 247 CA ASP A 20 4.785 0.648 -9.448 1.00 0.00 C ATOM 248 C ASP A 20 3.496 1.458 -9.333 1.00 0.00 C ATOM 249 O ASP A 20 3.043 1.770 -8.232 1.00 0.00 O ATOM 250 CB ASP A 20 5.818 1.425 -10.265 1.00 0.00 C ATOM 251 CG ASP A 20 6.081 2.808 -9.701 1.00 0.00 C ATOM 252 OD1 ASP A 20 6.087 2.952 -8.461 1.00 0.00 O ATOM 253 OD2 ASP A 20 6.282 3.746 -10.500 1.00 0.00 O ATOM 0 H ASP A 20 5.107 -0.856 -10.874 1.00 0.00 H new ATOM 0 HA ASP A 20 5.178 0.480 -8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.752 0.864 -10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.470 1.516 -11.294 1.00 0.00 H new ATOM 258 N LYS A 21 2.911 1.794 -10.478 1.00 0.00 N ATOM 259 CA LYS A 21 1.674 2.566 -10.508 1.00 0.00 C ATOM 260 C LYS A 21 0.726 2.116 -9.400 1.00 0.00 C ATOM 261 O LYS A 21 0.256 2.930 -8.603 1.00 0.00 O ATOM 262 CB LYS A 21 0.991 2.422 -11.868 1.00 0.00 C ATOM 263 CG LYS A 21 1.778 3.037 -13.012 1.00 0.00 C ATOM 264 CD LYS A 21 0.858 3.563 -14.102 1.00 0.00 C ATOM 265 CE LYS A 21 1.616 4.419 -15.106 1.00 0.00 C ATOM 266 NZ LYS A 21 2.354 3.589 -16.097 1.00 0.00 N ATOM 0 H LYS A 21 3.274 1.544 -11.398 1.00 0.00 H new ATOM 0 HA LYS A 21 1.925 3.614 -10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.832 1.364 -12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.007 2.889 -11.822 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.397 3.850 -12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.453 2.292 -13.433 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.388 2.726 -14.618 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.058 4.151 -13.652 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.916 5.072 -15.628 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.318 5.063 -14.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.187 4.112 -16.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.661 2.703 -15.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.731 3.372 -16.901 1.00 0.00 H new ATOM 280 N LEU A 22 0.449 0.818 -9.355 1.00 0.00 N ATOM 281 CA LEU A 22 -0.442 0.260 -8.343 1.00 0.00 C ATOM 282 C LEU A 22 -0.064 0.756 -6.951 1.00 0.00 C ATOM 283 O LEU A 22 -0.914 1.236 -6.199 1.00 0.00 O ATOM 284 CB LEU A 22 -0.397 -1.268 -8.383 1.00 0.00 C ATOM 285 CG LEU A 22 -1.244 -1.991 -7.335 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.722 -1.885 -7.677 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.823 -3.450 -7.224 1.00 0.00 C ATOM 0 H LEU A 22 0.828 0.132 -10.007 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.456 0.593 -8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.720 -1.596 -9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.639 -1.584 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.081 -1.512 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.309 -2.405 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.015 -0.835 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.903 -2.338 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.436 -3.949 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.957 -3.942 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.225 -3.505 -6.931 1.00 0.00 H new ATOM 299 N LEU A 23 1.216 0.640 -6.614 1.00 0.00 N ATOM 300 CA LEU A 23 1.706 1.079 -5.313 1.00 0.00 C ATOM 301 C LEU A 23 1.497 2.578 -5.129 1.00 0.00 C ATOM 302 O LEU A 23 0.962 3.020 -4.113 1.00 0.00 O ATOM 303 CB LEU A 23 3.191 0.739 -5.166 1.00 0.00 C ATOM 304 CG LEU A 23 3.579 -0.712 -5.452 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.091 -0.857 -5.523 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.002 -1.638 -4.391 1.00 0.00 C ATOM 0 H LEU A 23 1.932 0.246 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 23 1.140 0.555 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.759 1.385 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.500 0.983 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 23 3.162 -0.995 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.348 -1.896 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.480 -0.224 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.531 -0.555 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.288 -2.666 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.389 -1.355 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.915 -1.557 -4.389 1.00 0.00 H new ATOM 318 N SER A 24 1.920 3.357 -6.120 1.00 0.00 N ATOM 319 CA SER A 24 1.780 4.807 -6.066 1.00 0.00 C ATOM 320 C SER A 24 0.430 5.200 -5.472 1.00 0.00 C ATOM 321 O SER A 24 0.344 6.107 -4.643 1.00 0.00 O ATOM 322 CB SER A 24 1.928 5.407 -7.466 1.00 0.00 C ATOM 323 OG SER A 24 1.920 6.823 -7.418 1.00 0.00 O ATOM 0 H SER A 24 2.363 3.008 -6.970 1.00 0.00 H new ATOM 0 HA SER A 24 2.569 5.200 -5.425 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.858 5.061 -7.917 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.115 5.057 -8.103 1.00 0.00 H new ATOM 0 HG SER A 24 2.017 7.182 -8.325 1.00 0.00 H new ATOM 329 N HIS A 25 -0.622 4.512 -5.904 1.00 0.00 N ATOM 330 CA HIS A 25 -1.969 4.788 -5.415 1.00 0.00 C ATOM 331 C HIS A 25 -2.174 4.194 -4.026 1.00 0.00 C ATOM 332 O HIS A 25 -1.713 3.090 -3.738 1.00 0.00 O ATOM 333 CB HIS A 25 -3.010 4.226 -6.383 1.00 0.00 C ATOM 334 CG HIS A 25 -4.295 4.997 -6.395 1.00 0.00 C ATOM 335 ND1 HIS A 25 -4.957 5.375 -5.246 1.00 0.00 N ATOM 336 CD2 HIS A 25 -5.037 5.464 -7.426 1.00 0.00 C ATOM 337 CE1 HIS A 25 -6.052 6.039 -5.570 1.00 0.00 C ATOM 338 NE2 HIS A 25 -6.124 6.107 -6.887 1.00 0.00 N ATOM 0 H HIS A 25 -0.568 3.760 -6.591 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.092 5.869 -5.350 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.591 4.218 -7.389 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.220 3.190 -6.117 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.815 5.352 -8.477 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -6.767 6.456 -4.876 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -6.866 6.563 -7.417 1.00 0.00 H new ATOM 346 N ARG A 26 -2.870 4.934 -3.168 1.00 0.00 N ATOM 347 CA ARG A 26 -3.136 4.480 -1.808 1.00 0.00 C ATOM 348 C ARG A 26 -4.022 3.238 -1.812 1.00 0.00 C ATOM 349 O ARG A 26 -3.603 2.163 -1.382 1.00 0.00 O ATOM 350 CB ARG A 26 -3.803 5.594 -0.998 1.00 0.00 C ATOM 351 CG ARG A 26 -3.960 5.262 0.477 1.00 0.00 C ATOM 352 CD ARG A 26 -2.658 5.470 1.236 1.00 0.00 C ATOM 353 NE ARG A 26 -1.900 4.229 1.373 1.00 0.00 N ATOM 354 CZ ARG A 26 -1.912 3.478 2.469 1.00 0.00 C ATOM 355 NH1 ARG A 26 -2.638 3.840 3.518 1.00 0.00 N ATOM 356 NH2 ARG A 26 -1.196 2.361 2.517 1.00 0.00 N ATOM 0 H ARG A 26 -3.260 5.850 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.184 4.223 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.214 6.506 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.785 5.802 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.740 5.888 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.285 4.227 0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.050 6.211 0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.875 5.873 2.225 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.330 3.922 0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.190 4.697 3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.645 3.261 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.636 2.079 1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.206 1.785 3.359 1.00 0.00 H new ATOM 370 N ASP A 27 -5.248 3.395 -2.300 1.00 0.00 N ATOM 371 CA ASP A 27 -6.194 2.286 -2.361 1.00 0.00 C ATOM 372 C ASP A 27 -5.550 1.057 -2.994 1.00 0.00 C ATOM 373 O ASP A 27 -5.599 -0.039 -2.437 1.00 0.00 O ATOM 374 CB ASP A 27 -7.437 2.692 -3.153 1.00 0.00 C ATOM 375 CG ASP A 27 -8.681 1.955 -2.697 1.00 0.00 C ATOM 376 OD1 ASP A 27 -9.212 2.297 -1.619 1.00 0.00 O ATOM 377 OD2 ASP A 27 -9.124 1.036 -3.417 1.00 0.00 O ATOM 0 H ASP A 27 -5.610 4.279 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.489 2.035 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.596 3.765 -3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.270 2.495 -4.212 1.00 0.00 H new ATOM 382 N GLY A 28 -4.948 1.247 -4.164 1.00 0.00 N ATOM 383 CA GLY A 28 -4.304 0.146 -4.856 1.00 0.00 C ATOM 384 C GLY A 28 -3.316 -0.593 -3.975 1.00 0.00 C ATOM 385 O GLY A 28 -3.415 -1.809 -3.802 1.00 0.00 O ATOM 0 H GLY A 28 -4.895 2.145 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.064 -0.551 -5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.787 0.527 -5.737 1.00 0.00 H new ATOM 389 N LEU A 29 -2.359 0.140 -3.419 1.00 0.00 N ATOM 390 CA LEU A 29 -1.346 -0.453 -2.551 1.00 0.00 C ATOM 391 C LEU A 29 -1.995 -1.249 -1.423 1.00 0.00 C ATOM 392 O LEU A 29 -1.682 -2.422 -1.219 1.00 0.00 O ATOM 393 CB LEU A 29 -0.443 0.636 -1.969 1.00 0.00 C ATOM 394 CG LEU A 29 0.683 0.154 -1.054 1.00 0.00 C ATOM 395 CD1 LEU A 29 1.727 -0.614 -1.849 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.322 1.331 -0.330 1.00 0.00 C ATOM 0 H LEU A 29 -2.262 1.147 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.742 -1.134 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.000 1.193 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.065 1.335 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 29 0.257 -0.518 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.520 -0.949 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.261 -1.479 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.149 0.034 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.121 0.970 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.733 2.028 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.569 1.839 0.273 1.00 0.00 H new ATOM 408 N GLU A 30 -2.900 -0.604 -0.694 1.00 0.00 N ATOM 409 CA GLU A 30 -3.593 -1.252 0.412 1.00 0.00 C ATOM 410 C GLU A 30 -4.132 -2.617 -0.007 1.00 0.00 C ATOM 411 O GLU A 30 -3.747 -3.646 0.547 1.00 0.00 O ATOM 412 CB GLU A 30 -4.740 -0.371 0.912 1.00 0.00 C ATOM 413 CG GLU A 30 -4.276 0.925 1.555 1.00 0.00 C ATOM 414 CD GLU A 30 -5.308 1.512 2.498 1.00 0.00 C ATOM 415 OE1 GLU A 30 -6.513 1.250 2.295 1.00 0.00 O ATOM 416 OE2 GLU A 30 -4.913 2.232 3.438 1.00 0.00 O ATOM 0 H GLU A 30 -3.170 0.367 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.876 -1.396 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.398 -0.136 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.331 -0.934 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.351 0.743 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.048 1.651 0.775 1.00 0.00 H new ATOM 423 N ALA A 31 -5.025 -2.617 -0.992 1.00 0.00 N ATOM 424 CA ALA A 31 -5.616 -3.853 -1.488 1.00 0.00 C ATOM 425 C ALA A 31 -4.543 -4.902 -1.763 1.00 0.00 C ATOM 426 O ALA A 31 -4.694 -6.068 -1.397 1.00 0.00 O ATOM 427 CB ALA A 31 -6.428 -3.582 -2.745 1.00 0.00 C ATOM 0 H ALA A 31 -5.355 -1.774 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.281 -4.245 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.864 -4.514 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.224 -2.873 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.779 -3.164 -3.515 1.00 0.00 H new ATOM 433 N PHE A 32 -3.463 -4.479 -2.410 1.00 0.00 N ATOM 434 CA PHE A 32 -2.365 -5.384 -2.735 1.00 0.00 C ATOM 435 C PHE A 32 -1.847 -6.084 -1.483 1.00 0.00 C ATOM 436 O PHE A 32 -1.629 -7.296 -1.479 1.00 0.00 O ATOM 437 CB PHE A 32 -1.228 -4.616 -3.412 1.00 0.00 C ATOM 438 CG PHE A 32 0.015 -5.436 -3.609 1.00 0.00 C ATOM 439 CD1 PHE A 32 -0.010 -6.578 -4.395 1.00 0.00 C ATOM 440 CD2 PHE A 32 1.207 -5.067 -3.008 1.00 0.00 C ATOM 441 CE1 PHE A 32 1.132 -7.335 -4.579 1.00 0.00 C ATOM 442 CE2 PHE A 32 2.352 -5.820 -3.190 1.00 0.00 C ATOM 443 CZ PHE A 32 2.315 -6.955 -3.974 1.00 0.00 C ATOM 0 H PHE A 32 -3.324 -3.517 -2.720 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.743 -6.142 -3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.572 -4.253 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.984 -3.740 -2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.932 -6.880 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.242 -4.182 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.100 -8.222 -5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.276 -5.520 -2.718 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.209 -7.545 -4.114 1.00 0.00 H new ATOM 453 N THR A 33 -1.650 -5.311 -0.418 1.00 0.00 N ATOM 454 CA THR A 33 -1.156 -5.855 0.841 1.00 0.00 C ATOM 455 C THR A 33 -2.045 -6.989 1.336 1.00 0.00 C ATOM 456 O THR A 33 -1.561 -8.074 1.660 1.00 0.00 O ATOM 457 CB THR A 33 -1.076 -4.768 1.929 1.00 0.00 C ATOM 458 OG1 THR A 33 -0.185 -3.726 1.516 1.00 0.00 O ATOM 459 CG2 THR A 33 -0.599 -5.357 3.248 1.00 0.00 C ATOM 0 H THR A 33 -1.825 -4.306 -0.403 1.00 0.00 H new ATOM 0 HA THR A 33 -0.155 -6.240 0.648 1.00 0.00 H new ATOM 0 HB THR A 33 -2.074 -4.355 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.141 -3.038 2.213 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.550 -4.571 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.295 -6.130 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.391 -5.793 3.115 1.00 0.00 H new ATOM 467 N ARG A 34 -3.348 -6.734 1.392 1.00 0.00 N ATOM 468 CA ARG A 34 -4.305 -7.735 1.848 1.00 0.00 C ATOM 469 C ARG A 34 -3.997 -9.099 1.239 1.00 0.00 C ATOM 470 O ARG A 34 -3.889 -10.098 1.950 1.00 0.00 O ATOM 471 CB ARG A 34 -5.729 -7.312 1.485 1.00 0.00 C ATOM 472 CG ARG A 34 -6.405 -6.466 2.551 1.00 0.00 C ATOM 473 CD ARG A 34 -7.920 -6.516 2.426 1.00 0.00 C ATOM 474 NE ARG A 34 -8.499 -7.591 3.226 1.00 0.00 N ATOM 475 CZ ARG A 34 -9.306 -8.523 2.730 1.00 0.00 C ATOM 476 NH1 ARG A 34 -9.626 -8.510 1.443 1.00 0.00 N ATOM 477 NH2 ARG A 34 -9.793 -9.470 3.521 1.00 0.00 N ATOM 0 H ARG A 34 -3.766 -5.842 1.127 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.222 -7.814 2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.705 -6.752 0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.329 -8.204 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.109 -6.819 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.066 -5.434 2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.342 -5.562 2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.193 -6.655 1.380 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.272 -7.629 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.252 -7.784 0.832 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.246 -9.226 1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.548 -9.483 4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.412 -10.185 3.139 1.00 0.00 H new ATOM 491 N PHE A 35 -3.856 -9.134 -0.082 1.00 0.00 N ATOM 492 CA PHE A 35 -3.560 -10.375 -0.787 1.00 0.00 C ATOM 493 C PHE A 35 -2.379 -11.098 -0.146 1.00 0.00 C ATOM 494 O PHE A 35 -2.395 -12.319 0.012 1.00 0.00 O ATOM 495 CB PHE A 35 -3.261 -10.091 -2.260 1.00 0.00 C ATOM 496 CG PHE A 35 -2.453 -11.168 -2.926 1.00 0.00 C ATOM 497 CD1 PHE A 35 -2.984 -12.434 -3.117 1.00 0.00 C ATOM 498 CD2 PHE A 35 -1.162 -10.915 -3.361 1.00 0.00 C ATOM 499 CE1 PHE A 35 -2.243 -13.427 -3.730 1.00 0.00 C ATOM 500 CE2 PHE A 35 -0.416 -11.904 -3.974 1.00 0.00 C ATOM 501 CZ PHE A 35 -0.957 -13.162 -4.158 1.00 0.00 C ATOM 0 H PHE A 35 -3.942 -8.316 -0.686 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.437 -11.019 -0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.202 -9.969 -2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.725 -9.145 -2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.989 -12.647 -2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.734 -9.934 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.669 -14.409 -3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.589 -11.694 -4.309 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.375 -13.937 -4.636 1.00 0.00 H new ATOM 511 N LEU A 36 -1.356 -10.334 0.221 1.00 0.00 N ATOM 512 CA LEU A 36 -0.164 -10.900 0.844 1.00 0.00 C ATOM 513 C LEU A 36 -0.441 -11.292 2.292 1.00 0.00 C ATOM 514 O LEU A 36 -0.042 -12.365 2.744 1.00 0.00 O ATOM 515 CB LEU A 36 0.990 -9.898 0.786 1.00 0.00 C ATOM 516 CG LEU A 36 1.426 -9.456 -0.611 1.00 0.00 C ATOM 517 CD1 LEU A 36 2.272 -8.196 -0.532 1.00 0.00 C ATOM 518 CD2 LEU A 36 2.191 -10.572 -1.309 1.00 0.00 C ATOM 0 H LEU A 36 -1.328 -9.322 0.098 1.00 0.00 H new ATOM 0 HA LEU A 36 0.114 -11.797 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.704 -9.012 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.851 -10.336 1.292 1.00 0.00 H new ATOM 0 HG LEU A 36 0.534 -9.233 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.573 -7.896 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.691 -7.396 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.160 -8.391 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.494 -10.240 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.076 -10.826 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.552 -11.450 -1.399 1.00 0.00 H new ATOM 530 N LYS A 37 -1.129 -10.415 3.016 1.00 0.00 N ATOM 531 CA LYS A 37 -1.463 -10.669 4.412 1.00 0.00 C ATOM 532 C LYS A 37 -2.003 -12.083 4.593 1.00 0.00 C ATOM 533 O LYS A 37 -1.657 -12.773 5.553 1.00 0.00 O ATOM 534 CB LYS A 37 -2.496 -9.651 4.903 1.00 0.00 C ATOM 535 CG LYS A 37 -2.079 -8.207 4.685 1.00 0.00 C ATOM 536 CD LYS A 37 -2.715 -7.281 5.707 1.00 0.00 C ATOM 537 CE LYS A 37 -1.818 -7.090 6.921 1.00 0.00 C ATOM 538 NZ LYS A 37 -2.543 -6.443 8.050 1.00 0.00 N ATOM 0 H LYS A 37 -1.466 -9.521 2.658 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.552 -10.568 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.441 -9.829 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.675 -9.812 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.994 -8.128 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.365 -7.893 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.917 -6.314 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.674 -7.690 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.433 -8.057 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.958 -6.480 6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.898 -6.330 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.889 -5.509 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.349 -7.037 8.331 1.00 0.00 H new ATOM 552 N THR A 38 -2.852 -12.513 3.665 1.00 0.00 N ATOM 553 CA THR A 38 -3.439 -13.845 3.722 1.00 0.00 C ATOM 554 C THR A 38 -2.385 -14.920 3.483 1.00 0.00 C ATOM 555 O THR A 38 -2.431 -15.992 4.087 1.00 0.00 O ATOM 556 CB THR A 38 -4.566 -14.008 2.685 1.00 0.00 C ATOM 557 OG1 THR A 38 -4.038 -13.874 1.362 1.00 0.00 O ATOM 558 CG2 THR A 38 -5.660 -12.975 2.909 1.00 0.00 C ATOM 0 H THR A 38 -3.149 -11.956 2.863 1.00 0.00 H new ATOM 0 HA THR A 38 -3.856 -13.964 4.722 1.00 0.00 H new ATOM 0 HB THR A 38 -4.998 -15.002 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.481 -13.069 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.445 -13.109 2.165 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.080 -13.101 3.907 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.240 -11.974 2.816 1.00 0.00 H new ATOM 566 N GLU A 39 -1.436 -14.627 2.599 1.00 0.00 N ATOM 567 CA GLU A 39 -0.371 -15.570 2.281 1.00 0.00 C ATOM 568 C GLU A 39 0.849 -15.332 3.167 1.00 0.00 C ATOM 569 O GLU A 39 1.938 -15.833 2.889 1.00 0.00 O ATOM 570 CB GLU A 39 0.024 -15.450 0.807 1.00 0.00 C ATOM 571 CG GLU A 39 -1.164 -15.413 -0.140 1.00 0.00 C ATOM 572 CD GLU A 39 -0.850 -16.020 -1.493 1.00 0.00 C ATOM 573 OE1 GLU A 39 0.260 -15.775 -2.011 1.00 0.00 O ATOM 574 OE2 GLU A 39 -1.715 -16.741 -2.035 1.00 0.00 O ATOM 0 H GLU A 39 -1.383 -13.744 2.091 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.744 -16.577 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.615 -14.544 0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.664 -16.291 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.999 -15.950 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.484 -14.380 -0.275 1.00 0.00 H new ATOM 581 N PHE A 40 0.657 -14.564 4.233 1.00 0.00 N ATOM 582 CA PHE A 40 1.740 -14.257 5.159 1.00 0.00 C ATOM 583 C PHE A 40 2.964 -13.735 4.411 1.00 0.00 C ATOM 584 O PHE A 40 4.101 -13.995 4.801 1.00 0.00 O ATOM 585 CB PHE A 40 2.117 -15.501 5.967 1.00 0.00 C ATOM 586 CG PHE A 40 0.982 -16.050 6.785 1.00 0.00 C ATOM 587 CD1 PHE A 40 -0.097 -16.665 6.170 1.00 0.00 C ATOM 588 CD2 PHE A 40 0.997 -15.954 8.166 1.00 0.00 C ATOM 589 CE1 PHE A 40 -1.143 -17.170 6.920 1.00 0.00 C ATOM 590 CE2 PHE A 40 -0.046 -16.458 8.922 1.00 0.00 C ATOM 591 CZ PHE A 40 -1.116 -17.068 8.298 1.00 0.00 C ATOM 0 H PHE A 40 -0.239 -14.142 4.477 1.00 0.00 H new ATOM 0 HA PHE A 40 1.392 -13.480 5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.470 -16.274 5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.947 -15.257 6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.121 -16.751 5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.833 -15.480 8.659 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.980 -17.644 6.429 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.023 -16.375 9.999 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.931 -17.465 8.886 1.00 0.00 H new ATOM 601 N SER A 41 2.719 -12.995 3.334 1.00 0.00 N ATOM 602 CA SER A 41 3.799 -12.439 2.528 1.00 0.00 C ATOM 603 C SER A 41 3.884 -10.925 2.703 1.00 0.00 C ATOM 604 O SER A 41 4.871 -10.300 2.318 1.00 0.00 O ATOM 605 CB SER A 41 3.592 -12.782 1.051 1.00 0.00 C ATOM 606 OG SER A 41 4.228 -14.004 0.718 1.00 0.00 O ATOM 0 H SER A 41 1.783 -12.767 3.000 1.00 0.00 H new ATOM 0 HA SER A 41 4.736 -12.880 2.868 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.526 -12.853 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.989 -11.980 0.429 1.00 0.00 H new ATOM 0 HG SER A 41 4.080 -14.202 -0.230 1.00 0.00 H new ATOM 612 N GLU A 42 2.839 -10.345 3.286 1.00 0.00 N ATOM 613 CA GLU A 42 2.794 -8.904 3.511 1.00 0.00 C ATOM 614 C GLU A 42 4.145 -8.388 3.996 1.00 0.00 C ATOM 615 O GLU A 42 4.642 -7.371 3.513 1.00 0.00 O ATOM 616 CB GLU A 42 1.706 -8.558 4.530 1.00 0.00 C ATOM 617 CG GLU A 42 1.866 -9.280 5.858 1.00 0.00 C ATOM 618 CD GLU A 42 2.763 -8.532 6.824 1.00 0.00 C ATOM 619 OE1 GLU A 42 2.515 -7.331 7.056 1.00 0.00 O ATOM 620 OE2 GLU A 42 3.714 -9.149 7.348 1.00 0.00 O ATOM 0 H GLU A 42 2.014 -10.849 3.610 1.00 0.00 H new ATOM 0 HA GLU A 42 2.559 -8.420 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.714 -7.483 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.732 -8.804 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.885 -9.419 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.278 -10.273 5.680 1.00 0.00 H new ATOM 627 N GLU A 43 4.732 -9.094 4.957 1.00 0.00 N ATOM 628 CA GLU A 43 6.024 -8.706 5.510 1.00 0.00 C ATOM 629 C GLU A 43 6.905 -8.071 4.439 1.00 0.00 C ATOM 630 O GLU A 43 7.701 -7.177 4.724 1.00 0.00 O ATOM 631 CB GLU A 43 6.733 -9.921 6.114 1.00 0.00 C ATOM 632 CG GLU A 43 7.150 -10.956 5.083 1.00 0.00 C ATOM 633 CD GLU A 43 6.072 -11.991 4.826 1.00 0.00 C ATOM 634 OE1 GLU A 43 4.894 -11.713 5.136 1.00 0.00 O ATOM 635 OE2 GLU A 43 6.405 -13.080 4.313 1.00 0.00 O ATOM 0 H GLU A 43 4.333 -9.938 5.369 1.00 0.00 H new ATOM 0 HA GLU A 43 5.847 -7.971 6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.617 -9.583 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.073 -10.392 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.396 -10.453 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.056 -11.457 5.423 1.00 0.00 H new ATOM 642 N ASN A 44 6.758 -8.541 3.204 1.00 0.00 N ATOM 643 CA ASN A 44 7.541 -8.021 2.090 1.00 0.00 C ATOM 644 C ASN A 44 7.175 -6.569 1.798 1.00 0.00 C ATOM 645 O ASN A 44 8.033 -5.686 1.811 1.00 0.00 O ATOM 646 CB ASN A 44 7.319 -8.875 0.840 1.00 0.00 C ATOM 647 CG ASN A 44 7.910 -10.265 0.978 1.00 0.00 C ATOM 648 OD1 ASN A 44 8.584 -10.571 1.963 1.00 0.00 O ATOM 649 ND2 ASN A 44 7.658 -11.116 -0.010 1.00 0.00 N ATOM 0 H ASN A 44 6.104 -9.281 2.950 1.00 0.00 H new ATOM 0 HA ASN A 44 8.594 -8.063 2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.250 -8.955 0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.765 -8.377 -0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.028 -12.066 0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.095 -10.820 -0.807 1.00 0.00 H new ATOM 656 N ILE A 45 5.894 -6.330 1.534 1.00 0.00 N ATOM 657 CA ILE A 45 5.413 -4.985 1.242 1.00 0.00 C ATOM 658 C ILE A 45 5.628 -4.054 2.429 1.00 0.00 C ATOM 659 O ILE A 45 5.811 -2.849 2.259 1.00 0.00 O ATOM 660 CB ILE A 45 3.918 -4.991 0.871 1.00 0.00 C ATOM 661 CG1 ILE A 45 3.479 -3.598 0.413 1.00 0.00 C ATOM 662 CG2 ILE A 45 3.081 -5.453 2.054 1.00 0.00 C ATOM 663 CD1 ILE A 45 4.041 -3.200 -0.934 1.00 0.00 C ATOM 0 H ILE A 45 5.172 -7.050 1.516 1.00 0.00 H new ATOM 0 HA ILE A 45 5.989 -4.621 0.391 1.00 0.00 H new ATOM 0 HB ILE A 45 3.765 -5.689 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.390 -3.566 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.789 -2.865 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.027 -5.452 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.380 -6.462 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.235 -4.777 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.688 -2.202 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.130 -3.200 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.710 -3.911 -1.691 1.00 0.00 H new ATOM 675 N GLU A 46 5.607 -4.621 3.631 1.00 0.00 N ATOM 676 CA GLU A 46 5.801 -3.841 4.847 1.00 0.00 C ATOM 677 C GLU A 46 7.095 -3.035 4.776 1.00 0.00 C ATOM 678 O GLU A 46 7.129 -1.860 5.146 1.00 0.00 O ATOM 679 CB GLU A 46 5.826 -4.759 6.071 1.00 0.00 C ATOM 680 CG GLU A 46 4.451 -5.028 6.658 1.00 0.00 C ATOM 681 CD GLU A 46 4.493 -5.281 8.152 1.00 0.00 C ATOM 682 OE1 GLU A 46 5.480 -4.869 8.796 1.00 0.00 O ATOM 683 OE2 GLU A 46 3.538 -5.892 8.678 1.00 0.00 O ATOM 0 H GLU A 46 5.458 -5.618 3.788 1.00 0.00 H new ATOM 0 HA GLU A 46 4.965 -3.147 4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.285 -5.708 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.458 -4.311 6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.801 -4.177 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.010 -5.891 6.160 1.00 0.00 H new ATOM 690 N PHE A 47 8.157 -3.673 4.298 1.00 0.00 N ATOM 691 CA PHE A 47 9.454 -3.017 4.179 1.00 0.00 C ATOM 692 C PHE A 47 9.435 -1.971 3.070 1.00 0.00 C ATOM 693 O PHE A 47 9.923 -0.854 3.246 1.00 0.00 O ATOM 694 CB PHE A 47 10.549 -4.051 3.903 1.00 0.00 C ATOM 695 CG PHE A 47 11.903 -3.443 3.678 1.00 0.00 C ATOM 696 CD1 PHE A 47 12.235 -2.892 2.449 1.00 0.00 C ATOM 697 CD2 PHE A 47 12.846 -3.422 4.692 1.00 0.00 C ATOM 698 CE1 PHE A 47 13.481 -2.332 2.239 1.00 0.00 C ATOM 699 CE2 PHE A 47 14.093 -2.863 4.488 1.00 0.00 C ATOM 700 CZ PHE A 47 14.412 -2.319 3.259 1.00 0.00 C ATOM 0 H PHE A 47 8.146 -4.644 3.986 1.00 0.00 H new ATOM 0 HA PHE A 47 9.667 -2.515 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.605 -4.743 4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.272 -4.637 3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.512 -2.901 1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.604 -3.848 5.654 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.726 -1.905 1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.818 -2.851 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.387 -1.885 3.096 1.00 0.00 H new ATOM 710 N TRP A 48 8.869 -2.341 1.926 1.00 0.00 N ATOM 711 CA TRP A 48 8.786 -1.434 0.786 1.00 0.00 C ATOM 712 C TRP A 48 8.208 -0.086 1.204 1.00 0.00 C ATOM 713 O TRP A 48 8.740 0.965 0.846 1.00 0.00 O ATOM 714 CB TRP A 48 7.929 -2.050 -0.320 1.00 0.00 C ATOM 715 CG TRP A 48 7.847 -1.200 -1.551 1.00 0.00 C ATOM 716 CD1 TRP A 48 8.611 -1.314 -2.679 1.00 0.00 C ATOM 717 CD2 TRP A 48 6.955 -0.104 -1.779 1.00 0.00 C ATOM 718 NE1 TRP A 48 8.246 -0.356 -3.592 1.00 0.00 N ATOM 719 CE2 TRP A 48 7.232 0.400 -3.065 1.00 0.00 C ATOM 720 CE3 TRP A 48 5.948 0.502 -1.022 1.00 0.00 C ATOM 721 CZ2 TRP A 48 6.539 1.478 -3.608 1.00 0.00 C ATOM 722 CZ3 TRP A 48 5.261 1.572 -1.561 1.00 0.00 C ATOM 723 CH2 TRP A 48 5.558 2.051 -2.844 1.00 0.00 C ATOM 0 H TRP A 48 8.461 -3.262 1.763 1.00 0.00 H new ATOM 0 HA TRP A 48 9.795 -1.273 0.407 1.00 0.00 H new ATOM 0 HB2 TRP A 48 8.338 -3.024 -0.587 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.923 -2.221 0.063 1.00 0.00 H new ATOM 0 HD1 TRP A 48 9.387 -2.049 -2.830 1.00 0.00 H new ATOM 0 HE1 TRP A 48 8.663 -0.228 -4.514 1.00 0.00 H new ATOM 0 HE3 TRP A 48 5.711 0.140 -0.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.767 1.849 -4.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 4.482 2.048 -0.984 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.002 2.889 -3.238 1.00 0.00 H new ATOM 734 N ILE A 49 7.118 -0.124 1.963 1.00 0.00 N ATOM 735 CA ILE A 49 6.470 1.096 2.428 1.00 0.00 C ATOM 736 C ILE A 49 7.362 1.853 3.407 1.00 0.00 C ATOM 737 O ILE A 49 7.573 3.056 3.266 1.00 0.00 O ATOM 738 CB ILE A 49 5.122 0.792 3.109 1.00 0.00 C ATOM 739 CG1 ILE A 49 4.192 0.057 2.141 1.00 0.00 C ATOM 740 CG2 ILE A 49 4.474 2.078 3.600 1.00 0.00 C ATOM 741 CD1 ILE A 49 3.032 -0.634 2.824 1.00 0.00 C ATOM 0 H ILE A 49 6.665 -0.985 2.269 1.00 0.00 H new ATOM 0 HA ILE A 49 6.293 1.715 1.548 1.00 0.00 H new ATOM 0 HB ILE A 49 5.304 0.148 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.803 0.769 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.769 -0.683 1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.523 1.846 4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.132 2.566 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.302 2.745 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.415 -1.134 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.413 -1.370 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.431 0.104 3.356 1.00 0.00 H new ATOM 753 N ALA A 50 7.882 1.137 4.400 1.00 0.00 N ATOM 754 CA ALA A 50 8.754 1.740 5.400 1.00 0.00 C ATOM 755 C ALA A 50 9.692 2.762 4.767 1.00 0.00 C ATOM 756 O ALA A 50 9.928 3.833 5.328 1.00 0.00 O ATOM 757 CB ALA A 50 9.552 0.664 6.121 1.00 0.00 C ATOM 0 H ALA A 50 7.714 0.140 4.533 1.00 0.00 H new ATOM 0 HA ALA A 50 8.128 2.261 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.199 1.128 6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.868 -0.027 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.161 0.118 5.400 1.00 0.00 H new ATOM 763 N CYS A 51 10.222 2.425 3.597 1.00 0.00 N ATOM 764 CA CYS A 51 11.137 3.314 2.888 1.00 0.00 C ATOM 765 C CYS A 51 10.450 4.629 2.533 1.00 0.00 C ATOM 766 O CYS A 51 10.893 5.701 2.943 1.00 0.00 O ATOM 767 CB CYS A 51 11.657 2.637 1.619 1.00 0.00 C ATOM 768 SG CYS A 51 12.823 1.290 1.925 1.00 0.00 S ATOM 0 H CYS A 51 10.035 1.544 3.119 1.00 0.00 H new ATOM 0 HA CYS A 51 11.978 3.531 3.546 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.810 2.248 1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 51 12.141 3.386 0.993 1.00 0.00 H new ATOM 0 HG CYS A 51 12.347 0.184 1.434 1.00 0.00 H new ATOM 774 N GLU A 52 9.367 4.538 1.767 1.00 0.00 N ATOM 775 CA GLU A 52 8.622 5.721 1.355 1.00 0.00 C ATOM 776 C GLU A 52 8.478 6.704 2.513 1.00 0.00 C ATOM 777 O GLU A 52 8.572 7.917 2.328 1.00 0.00 O ATOM 778 CB GLU A 52 7.239 5.325 0.833 1.00 0.00 C ATOM 779 CG GLU A 52 7.248 4.848 -0.610 1.00 0.00 C ATOM 780 CD GLU A 52 7.089 5.986 -1.600 1.00 0.00 C ATOM 781 OE1 GLU A 52 7.459 7.128 -1.256 1.00 0.00 O ATOM 782 OE2 GLU A 52 6.596 5.735 -2.720 1.00 0.00 O ATOM 0 H GLU A 52 8.987 3.658 1.420 1.00 0.00 H new ATOM 0 HA GLU A 52 9.179 6.208 0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.833 4.535 1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.568 6.180 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.183 4.325 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.442 4.128 -0.756 1.00 0.00 H new ATOM 789 N ASP A 53 8.248 6.170 3.708 1.00 0.00 N ATOM 790 CA ASP A 53 8.091 6.999 4.898 1.00 0.00 C ATOM 791 C ASP A 53 9.449 7.385 5.475 1.00 0.00 C ATOM 792 O ASP A 53 9.634 8.500 5.962 1.00 0.00 O ATOM 793 CB ASP A 53 7.266 6.261 5.954 1.00 0.00 C ATOM 794 CG ASP A 53 6.551 7.209 6.897 1.00 0.00 C ATOM 795 OD1 ASP A 53 7.096 8.300 7.166 1.00 0.00 O ATOM 796 OD2 ASP A 53 5.448 6.860 7.366 1.00 0.00 O ATOM 0 H ASP A 53 8.166 5.168 3.878 1.00 0.00 H new ATOM 0 HA ASP A 53 7.567 7.910 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.533 5.625 5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.920 5.606 6.529 1.00 0.00 H new ATOM 801 N PHE A 54 10.397 6.456 5.417 1.00 0.00 N ATOM 802 CA PHE A 54 11.738 6.697 5.936 1.00 0.00 C ATOM 803 C PHE A 54 12.377 7.901 5.250 1.00 0.00 C ATOM 804 O PHE A 54 12.988 8.749 5.899 1.00 0.00 O ATOM 805 CB PHE A 54 12.615 5.460 5.740 1.00 0.00 C ATOM 806 CG PHE A 54 14.087 5.751 5.804 1.00 0.00 C ATOM 807 CD1 PHE A 54 14.778 6.153 4.673 1.00 0.00 C ATOM 808 CD2 PHE A 54 14.779 5.623 6.998 1.00 0.00 C ATOM 809 CE1 PHE A 54 16.132 6.421 4.729 1.00 0.00 C ATOM 810 CE2 PHE A 54 16.134 5.890 7.060 1.00 0.00 C ATOM 811 CZ PHE A 54 16.812 6.291 5.925 1.00 0.00 C ATOM 0 H PHE A 54 10.261 5.528 5.015 1.00 0.00 H new ATOM 0 HA PHE A 54 11.655 6.909 7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.365 4.723 6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 54 12.384 5.010 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 54 14.252 6.258 3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 54 14.254 5.311 7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.659 6.732 3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 54 16.663 5.785 7.996 1.00 0.00 H new ATOM 0 HZ PHE A 54 17.870 6.502 5.972 1.00 0.00 H new ATOM 821 N LYS A 55 12.232 7.969 3.930 1.00 0.00 N ATOM 822 CA LYS A 55 12.792 9.068 3.154 1.00 0.00 C ATOM 823 C LYS A 55 12.091 10.382 3.483 1.00 0.00 C ATOM 824 O LYS A 55 12.730 11.427 3.601 1.00 0.00 O ATOM 825 CB LYS A 55 12.672 8.775 1.657 1.00 0.00 C ATOM 826 CG LYS A 55 11.252 8.486 1.206 1.00 0.00 C ATOM 827 CD LYS A 55 11.221 7.884 -0.189 1.00 0.00 C ATOM 828 CE LYS A 55 11.588 6.408 -0.167 1.00 0.00 C ATOM 829 NZ LYS A 55 13.064 6.204 -0.142 1.00 0.00 N ATOM 0 H LYS A 55 11.731 7.275 3.376 1.00 0.00 H new ATOM 0 HA LYS A 55 13.845 9.164 3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.056 9.627 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.303 7.921 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.778 7.801 1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.671 9.408 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.226 8.006 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.914 8.423 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.141 5.936 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.168 5.916 -1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.318 5.428 -0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.540 7.077 -0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.365 5.965 0.824 1.00 0.00 H new ATOM 843 N LYS A 56 10.771 10.321 3.632 1.00 0.00 N ATOM 844 CA LYS A 56 9.981 11.505 3.951 1.00 0.00 C ATOM 845 C LYS A 56 10.659 12.333 5.037 1.00 0.00 C ATOM 846 O LYS A 56 10.517 13.556 5.077 1.00 0.00 O ATOM 847 CB LYS A 56 8.578 11.099 4.404 1.00 0.00 C ATOM 848 CG LYS A 56 7.568 11.031 3.271 1.00 0.00 C ATOM 849 CD LYS A 56 6.250 10.434 3.734 1.00 0.00 C ATOM 850 CE LYS A 56 5.493 11.390 4.642 1.00 0.00 C ATOM 851 NZ LYS A 56 5.016 12.594 3.906 1.00 0.00 N ATOM 0 H LYS A 56 10.226 9.464 3.537 1.00 0.00 H new ATOM 0 HA LYS A 56 9.903 12.114 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.630 10.126 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.226 11.811 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.396 12.032 2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.974 10.431 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.635 10.190 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.439 9.500 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.641 10.873 5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.139 11.699 5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.302 13.089 4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.818 13.231 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.595 12.303 3.001 1.00 0.00 H new ATOM 865 N SER A 57 11.395 11.662 5.916 1.00 0.00 N ATOM 866 CA SER A 57 12.092 12.337 7.005 1.00 0.00 C ATOM 867 C SER A 57 12.941 13.488 6.474 1.00 0.00 C ATOM 868 O SER A 57 13.400 13.462 5.332 1.00 0.00 O ATOM 869 CB SER A 57 12.974 11.346 7.766 1.00 0.00 C ATOM 870 OG SER A 57 13.868 12.021 8.634 1.00 0.00 O ATOM 0 H SER A 57 11.525 10.650 5.896 1.00 0.00 H new ATOM 0 HA SER A 57 11.344 12.743 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.348 10.665 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.538 10.739 7.058 1.00 0.00 H new ATOM 0 HG SER A 57 13.359 12.575 9.262 1.00 0.00 H new ATOM 876 N LYS A 58 13.147 14.498 7.312 1.00 0.00 N ATOM 877 CA LYS A 58 13.942 15.659 6.931 1.00 0.00 C ATOM 878 C LYS A 58 15.174 15.791 7.821 1.00 0.00 C ATOM 879 O LYS A 58 16.248 16.170 7.358 1.00 0.00 O ATOM 880 CB LYS A 58 13.098 16.932 7.019 1.00 0.00 C ATOM 881 CG LYS A 58 12.112 17.088 5.875 1.00 0.00 C ATOM 882 CD LYS A 58 10.934 17.964 6.269 1.00 0.00 C ATOM 883 CE LYS A 58 9.876 18.001 5.177 1.00 0.00 C ATOM 884 NZ LYS A 58 10.306 18.828 4.016 1.00 0.00 N ATOM 0 H LYS A 58 12.774 14.536 8.261 1.00 0.00 H new ATOM 0 HA LYS A 58 14.272 15.520 5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.551 16.931 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.761 17.797 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.619 17.524 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.750 16.106 5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.493 17.588 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.284 18.976 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.665 16.986 4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.948 18.402 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.558 18.828 3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.483 19.803 4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.178 18.431 3.611 1.00 0.00 H new ATOM 898 N GLY A 59 15.011 15.474 9.102 1.00 0.00 N ATOM 899 CA GLY A 59 16.118 15.562 10.035 1.00 0.00 C ATOM 900 C GLY A 59 16.985 14.319 10.025 1.00 0.00 C ATOM 901 O GLY A 59 16.588 13.263 9.531 1.00 0.00 O ATOM 0 H GLY A 59 14.131 15.158 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.730 16.430 9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.730 15.722 11.041 1.00 0.00 H new ATOM 905 N PRO A 60 18.200 14.437 10.580 1.00 0.00 N ATOM 906 CA PRO A 60 19.152 13.323 10.645 1.00 0.00 C ATOM 907 C PRO A 60 18.706 12.235 11.616 1.00 0.00 C ATOM 908 O PRO A 60 18.620 11.063 11.250 1.00 0.00 O ATOM 909 CB PRO A 60 20.441 13.985 11.139 1.00 0.00 C ATOM 910 CG PRO A 60 19.984 15.191 11.887 1.00 0.00 C ATOM 911 CD PRO A 60 18.740 15.665 11.188 1.00 0.00 C ATOM 0 HA PRO A 60 19.257 12.820 9.684 1.00 0.00 H new ATOM 0 HB2 PRO A 60 21.010 13.313 11.781 1.00 0.00 H new ATOM 0 HB3 PRO A 60 21.090 14.257 10.307 1.00 0.00 H new ATOM 0 HG2 PRO A 60 19.778 14.949 12.929 1.00 0.00 H new ATOM 0 HG3 PRO A 60 20.751 15.965 11.886 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.033 16.112 11.886 1.00 0.00 H new ATOM 0 HD3 PRO A 60 18.965 16.420 10.435 1.00 0.00 H new ATOM 919 N GLN A 61 18.423 12.631 12.852 1.00 0.00 N ATOM 920 CA GLN A 61 17.986 11.689 13.875 1.00 0.00 C ATOM 921 C GLN A 61 17.003 10.675 13.297 1.00 0.00 C ATOM 922 O GLN A 61 17.332 9.500 13.139 1.00 0.00 O ATOM 923 CB GLN A 61 17.340 12.435 15.044 1.00 0.00 C ATOM 924 CG GLN A 61 18.301 12.727 16.186 1.00 0.00 C ATOM 925 CD GLN A 61 18.736 11.472 16.917 1.00 0.00 C ATOM 926 OE1 GLN A 61 18.152 11.098 17.935 1.00 0.00 O ATOM 927 NE2 GLN A 61 19.767 10.814 16.401 1.00 0.00 N ATOM 0 H GLN A 61 18.488 13.598 13.170 1.00 0.00 H new ATOM 0 HA GLN A 61 18.863 11.152 14.237 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.926 13.375 14.680 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.506 11.845 15.424 1.00 0.00 H new ATOM 0 HG2 GLN A 61 19.180 13.238 15.794 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.825 13.408 16.892 1.00 0.00 H new ATOM 0 HE21 GLN A 61 20.221 11.160 15.556 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.105 9.963 16.850 1.00 0.00 H new ATOM 936 N GLN A 62 15.798 11.140 12.985 1.00 0.00 N ATOM 937 CA GLN A 62 14.768 10.273 12.426 1.00 0.00 C ATOM 938 C GLN A 62 15.382 9.212 11.520 1.00 0.00 C ATOM 939 O GLN A 62 15.032 8.033 11.603 1.00 0.00 O ATOM 940 CB GLN A 62 13.746 11.100 11.643 1.00 0.00 C ATOM 941 CG GLN A 62 12.313 10.627 11.824 1.00 0.00 C ATOM 942 CD GLN A 62 11.599 11.346 12.952 1.00 0.00 C ATOM 943 OE1 GLN A 62 12.119 11.206 14.166 1.00 0.00 O flip ATOM 944 NE2 GLN A 62 10.592 12.020 12.735 1.00 0.00 N flip ATOM 0 H GLN A 62 15.511 12.111 13.110 1.00 0.00 H new ATOM 0 HA GLN A 62 14.264 9.771 13.252 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.818 12.142 11.956 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.000 11.067 10.583 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.764 10.781 10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.311 9.555 12.022 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.227 12.100 11.786 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.123 12.498 13.504 1.00 0.00 H new ATOM 953 N ILE A 63 16.298 9.636 10.656 1.00 0.00 N ATOM 954 CA ILE A 63 16.962 8.720 9.736 1.00 0.00 C ATOM 955 C ILE A 63 17.764 7.667 10.491 1.00 0.00 C ATOM 956 O ILE A 63 17.708 6.479 10.169 1.00 0.00 O ATOM 957 CB ILE A 63 17.900 9.471 8.773 1.00 0.00 C ATOM 958 CG1 ILE A 63 17.110 10.485 7.943 1.00 0.00 C ATOM 959 CG2 ILE A 63 18.627 8.489 7.868 1.00 0.00 C ATOM 960 CD1 ILE A 63 17.979 11.522 7.267 1.00 0.00 C ATOM 0 H ILE A 63 16.597 10.608 10.574 1.00 0.00 H new ATOM 0 HA ILE A 63 16.178 8.230 9.158 1.00 0.00 H new ATOM 0 HB ILE A 63 18.642 10.011 9.361 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.537 9.953 7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 63 16.392 10.990 8.589 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.286 9.035 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 63 19.217 7.803 8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.899 7.924 7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.351 12.207 6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.533 12.080 8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.680 11.027 6.595 1.00 0.00 H new ATOM 972 N HIS A 64 18.509 8.109 11.500 1.00 0.00 N ATOM 973 CA HIS A 64 19.322 7.203 12.303 1.00 0.00 C ATOM 974 C HIS A 64 18.441 6.286 13.146 1.00 0.00 C ATOM 975 O HIS A 64 18.718 5.093 13.282 1.00 0.00 O ATOM 976 CB HIS A 64 20.264 7.996 13.209 1.00 0.00 C ATOM 977 CG HIS A 64 21.618 8.225 12.610 1.00 0.00 C ATOM 978 ND1 HIS A 64 22.774 7.690 13.140 1.00 0.00 N ATOM 979 CD2 HIS A 64 21.998 8.932 11.520 1.00 0.00 C ATOM 980 CE1 HIS A 64 23.806 8.061 12.402 1.00 0.00 C ATOM 981 NE2 HIS A 64 23.361 8.814 11.413 1.00 0.00 N ATOM 0 H HIS A 64 18.566 9.088 11.780 1.00 0.00 H new ATOM 0 HA HIS A 64 19.914 6.588 11.625 1.00 0.00 H new ATOM 0 HB2 HIS A 64 19.809 8.960 13.438 1.00 0.00 H new ATOM 0 HB3 HIS A 64 20.379 7.465 14.154 1.00 0.00 H new ATOM 0 HD2 HIS A 64 21.349 9.486 10.858 1.00 0.00 H new ATOM 0 HE1 HIS A 64 24.837 7.794 12.578 1.00 0.00 H new ATOM 0 HE2 HIS A 64 23.937 9.239 10.687 1.00 0.00 H new ATOM 989 N LEU A 65 17.380 6.849 13.712 1.00 0.00 N ATOM 990 CA LEU A 65 16.458 6.083 14.544 1.00 0.00 C ATOM 991 C LEU A 65 15.688 5.066 13.707 1.00 0.00 C ATOM 992 O LEU A 65 15.755 3.862 13.955 1.00 0.00 O ATOM 993 CB LEU A 65 15.481 7.020 15.255 1.00 0.00 C ATOM 994 CG LEU A 65 16.002 7.694 16.525 1.00 0.00 C ATOM 995 CD1 LEU A 65 17.209 8.565 16.210 1.00 0.00 C ATOM 996 CD2 LEU A 65 14.903 8.520 17.179 1.00 0.00 C ATOM 0 H LEU A 65 17.136 7.834 13.610 1.00 0.00 H new ATOM 0 HA LEU A 65 17.042 5.545 15.290 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.178 7.797 14.553 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.585 6.453 15.509 1.00 0.00 H new ATOM 0 HG LEU A 65 16.312 6.918 17.225 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.566 9.037 17.125 1.00 0.00 H new ATOM 0 HD12 LEU A 65 18.002 7.949 15.786 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.925 9.335 15.492 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.291 8.993 18.081 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.563 9.288 16.484 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.067 7.871 17.440 1.00 0.00 H new ATOM 1008 N LYS A 66 14.956 5.559 12.713 1.00 0.00 N ATOM 1009 CA LYS A 66 14.175 4.694 11.836 1.00 0.00 C ATOM 1010 C LYS A 66 15.036 3.567 11.275 1.00 0.00 C ATOM 1011 O LYS A 66 14.645 2.400 11.307 1.00 0.00 O ATOM 1012 CB LYS A 66 13.572 5.508 10.689 1.00 0.00 C ATOM 1013 CG LYS A 66 12.505 6.493 11.136 1.00 0.00 C ATOM 1014 CD LYS A 66 11.706 7.022 9.957 1.00 0.00 C ATOM 1015 CE LYS A 66 12.351 8.264 9.360 1.00 0.00 C ATOM 1016 NZ LYS A 66 13.660 7.955 8.721 1.00 0.00 N ATOM 0 H LYS A 66 14.887 6.553 12.495 1.00 0.00 H new ATOM 0 HA LYS A 66 13.370 4.254 12.424 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.369 6.053 10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.140 4.825 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.833 6.007 11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.974 7.325 11.662 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.627 6.249 9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.691 7.256 10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.680 8.702 8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.495 9.010 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.866 8.665 7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.410 7.972 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.620 7.011 8.286 1.00 0.00 H new ATOM 1030 N ALA A 67 16.210 3.922 10.766 1.00 0.00 N ATOM 1031 CA ALA A 67 17.127 2.940 10.202 1.00 0.00 C ATOM 1032 C ALA A 67 17.262 1.727 11.116 1.00 0.00 C ATOM 1033 O ALA A 67 17.072 0.589 10.688 1.00 0.00 O ATOM 1034 CB ALA A 67 18.490 3.571 9.954 1.00 0.00 C ATOM 0 H ALA A 67 16.549 4.883 10.732 1.00 0.00 H new ATOM 0 HA ALA A 67 16.717 2.602 9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 67 19.165 2.826 9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 67 18.385 4.401 9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 67 18.898 3.938 10.896 1.00 0.00 H new ATOM 1040 N LYS A 68 17.593 1.977 12.378 1.00 0.00 N ATOM 1041 CA LYS A 68 17.753 0.906 13.355 1.00 0.00 C ATOM 1042 C LYS A 68 16.467 0.097 13.491 1.00 0.00 C ATOM 1043 O LYS A 68 16.490 -1.132 13.469 1.00 0.00 O ATOM 1044 CB LYS A 68 18.152 1.483 14.715 1.00 0.00 C ATOM 1045 CG LYS A 68 18.686 0.444 15.684 1.00 0.00 C ATOM 1046 CD LYS A 68 19.341 1.091 16.892 1.00 0.00 C ATOM 1047 CE LYS A 68 19.467 0.112 18.050 1.00 0.00 C ATOM 1048 NZ LYS A 68 20.508 0.539 19.026 1.00 0.00 N ATOM 0 H LYS A 68 17.756 2.913 12.749 1.00 0.00 H new ATOM 0 HA LYS A 68 18.543 0.243 13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.910 2.252 14.566 1.00 0.00 H new ATOM 0 HB3 LYS A 68 17.286 1.972 15.161 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.871 -0.201 16.013 1.00 0.00 H new ATOM 0 HG3 LYS A 68 19.410 -0.192 15.174 1.00 0.00 H new ATOM 0 HD2 LYS A 68 20.329 1.460 16.617 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.754 1.954 17.206 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.507 0.025 18.558 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.714 -0.877 17.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.563 -0.154 19.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 21.429 0.598 18.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.259 1.471 19.413 1.00 0.00 H new ATOM 1062 N ALA A 69 15.345 0.797 13.631 1.00 0.00 N ATOM 1063 CA ALA A 69 14.050 0.144 13.768 1.00 0.00 C ATOM 1064 C ALA A 69 13.773 -0.780 12.587 1.00 0.00 C ATOM 1065 O ALA A 69 13.588 -1.985 12.760 1.00 0.00 O ATOM 1066 CB ALA A 69 12.946 1.183 13.897 1.00 0.00 C ATOM 0 H ALA A 69 15.308 1.816 13.652 1.00 0.00 H new ATOM 0 HA ALA A 69 14.071 -0.463 14.673 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.984 0.681 13.999 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.128 1.800 14.777 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.934 1.814 13.008 1.00 0.00 H new ATOM 1072 N ILE A 70 13.746 -0.208 11.388 1.00 0.00 N ATOM 1073 CA ILE A 70 13.492 -0.981 10.178 1.00 0.00 C ATOM 1074 C ILE A 70 14.461 -2.153 10.063 1.00 0.00 C ATOM 1075 O ILE A 70 14.092 -3.234 9.603 1.00 0.00 O ATOM 1076 CB ILE A 70 13.609 -0.107 8.916 1.00 0.00 C ATOM 1077 CG1 ILE A 70 12.592 1.035 8.964 1.00 0.00 C ATOM 1078 CG2 ILE A 70 13.408 -0.951 7.666 1.00 0.00 C ATOM 1079 CD1 ILE A 70 12.909 2.167 8.013 1.00 0.00 C ATOM 0 H ILE A 70 13.897 0.788 11.228 1.00 0.00 H new ATOM 0 HA ILE A 70 12.473 -1.360 10.253 1.00 0.00 H new ATOM 0 HB ILE A 70 14.610 0.324 8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.603 0.640 8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.546 1.427 9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.494 -0.319 6.782 1.00 0.00 H new ATOM 0 HG22 ILE A 70 14.167 -1.732 7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.419 -1.408 7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.146 2.941 8.101 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.883 2.588 8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.926 1.789 6.991 1.00 0.00 H new ATOM 1091 N TYR A 71 15.702 -1.932 10.483 1.00 0.00 N ATOM 1092 CA TYR A 71 16.724 -2.970 10.427 1.00 0.00 C ATOM 1093 C TYR A 71 16.287 -4.208 11.204 1.00 0.00 C ATOM 1094 O TYR A 71 16.083 -5.276 10.626 1.00 0.00 O ATOM 1095 CB TYR A 71 18.046 -2.444 10.987 1.00 0.00 C ATOM 1096 CG TYR A 71 19.148 -3.479 11.012 1.00 0.00 C ATOM 1097 CD1 TYR A 71 19.114 -4.535 11.915 1.00 0.00 C ATOM 1098 CD2 TYR A 71 20.223 -3.401 10.136 1.00 0.00 C ATOM 1099 CE1 TYR A 71 20.119 -5.484 11.942 1.00 0.00 C ATOM 1100 CE2 TYR A 71 21.232 -4.344 10.155 1.00 0.00 C ATOM 1101 CZ TYR A 71 21.175 -5.384 11.061 1.00 0.00 C ATOM 1102 OH TYR A 71 22.177 -6.325 11.085 1.00 0.00 O ATOM 0 H TYR A 71 16.024 -1.043 10.866 1.00 0.00 H new ATOM 0 HA TYR A 71 16.864 -3.249 9.383 1.00 0.00 H new ATOM 0 HB2 TYR A 71 18.372 -1.593 10.388 1.00 0.00 H new ATOM 0 HB3 TYR A 71 17.881 -2.077 12.000 1.00 0.00 H new ATOM 0 HD1 TYR A 71 18.289 -4.616 12.607 1.00 0.00 H new ATOM 0 HD2 TYR A 71 20.271 -2.588 9.427 1.00 0.00 H new ATOM 0 HE1 TYR A 71 20.077 -6.299 12.649 1.00 0.00 H new ATOM 0 HE2 TYR A 71 22.060 -4.268 9.466 1.00 0.00 H new ATOM 0 HH TYR A 71 22.844 -6.110 10.400 1.00 0.00 H new ATOM 1112 N GLU A 72 16.146 -4.056 12.516 1.00 0.00 N ATOM 1113 CA GLU A 72 15.734 -5.162 13.373 1.00 0.00 C ATOM 1114 C GLU A 72 14.335 -5.644 13.002 1.00 0.00 C ATOM 1115 O GLU A 72 13.809 -6.581 13.605 1.00 0.00 O ATOM 1116 CB GLU A 72 15.767 -4.737 14.844 1.00 0.00 C ATOM 1117 CG GLU A 72 17.151 -4.345 15.332 1.00 0.00 C ATOM 1118 CD GLU A 72 17.292 -4.461 16.838 1.00 0.00 C ATOM 1119 OE1 GLU A 72 17.652 -5.556 17.317 1.00 0.00 O ATOM 1120 OE2 GLU A 72 17.041 -3.457 17.536 1.00 0.00 O ATOM 0 H GLU A 72 16.311 -3.179 13.009 1.00 0.00 H new ATOM 0 HA GLU A 72 16.434 -5.984 13.225 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.089 -3.896 14.986 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.392 -5.555 15.459 1.00 0.00 H new ATOM 0 HG2 GLU A 72 17.895 -4.980 14.851 1.00 0.00 H new ATOM 0 HG3 GLU A 72 17.362 -3.320 15.029 1.00 0.00 H new ATOM 1127 N LYS A 73 13.737 -4.998 12.008 1.00 0.00 N ATOM 1128 CA LYS A 73 12.399 -5.360 11.555 1.00 0.00 C ATOM 1129 C LYS A 73 12.466 -6.360 10.405 1.00 0.00 C ATOM 1130 O LYS A 73 11.864 -7.432 10.468 1.00 0.00 O ATOM 1131 CB LYS A 73 11.632 -4.111 11.114 1.00 0.00 C ATOM 1132 CG LYS A 73 10.144 -4.347 10.922 1.00 0.00 C ATOM 1133 CD LYS A 73 9.351 -3.059 11.074 1.00 0.00 C ATOM 1134 CE LYS A 73 7.860 -3.334 11.190 1.00 0.00 C ATOM 1135 NZ LYS A 73 7.439 -3.529 12.605 1.00 0.00 N ATOM 0 H LYS A 73 14.158 -4.220 11.500 1.00 0.00 H new ATOM 0 HA LYS A 73 11.874 -5.826 12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.774 -3.326 11.857 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.057 -3.745 10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.966 -4.770 9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.794 -5.079 11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.693 -2.522 11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.537 -2.412 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.303 -2.503 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.609 -4.223 10.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.416 -3.714 12.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.951 -4.338 13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.655 -2.672 13.153 1.00 0.00 H new ATOM 1149 N PHE A 74 13.201 -6.003 9.358 1.00 0.00 N ATOM 1150 CA PHE A 74 13.346 -6.870 8.195 1.00 0.00 C ATOM 1151 C PHE A 74 14.805 -7.272 7.995 1.00 0.00 C ATOM 1152 O PHE A 74 15.102 -8.422 7.670 1.00 0.00 O ATOM 1153 CB PHE A 74 12.824 -6.167 6.940 1.00 0.00 C ATOM 1154 CG PHE A 74 11.568 -5.377 7.174 1.00 0.00 C ATOM 1155 CD1 PHE A 74 11.620 -4.128 7.772 1.00 0.00 C ATOM 1156 CD2 PHE A 74 10.335 -5.883 6.796 1.00 0.00 C ATOM 1157 CE1 PHE A 74 10.467 -3.399 7.990 1.00 0.00 C ATOM 1158 CE2 PHE A 74 9.178 -5.158 7.010 1.00 0.00 C ATOM 1159 CZ PHE A 74 9.244 -3.914 7.608 1.00 0.00 C ATOM 0 H PHE A 74 13.706 -5.119 9.291 1.00 0.00 H new ATOM 0 HA PHE A 74 12.759 -7.771 8.370 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.597 -5.500 6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.636 -6.912 6.167 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.574 -3.719 8.071 1.00 0.00 H new ATOM 0 HD2 PHE A 74 10.277 -6.855 6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.522 -2.428 8.459 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.223 -5.563 6.710 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.341 -3.346 7.776 1.00 0.00 H new ATOM 1169 N ILE A 75 15.708 -6.319 8.193 1.00 0.00 N ATOM 1170 CA ILE A 75 17.134 -6.574 8.036 1.00 0.00 C ATOM 1171 C ILE A 75 17.581 -7.749 8.900 1.00 0.00 C ATOM 1172 O ILE A 75 17.925 -8.812 8.387 1.00 0.00 O ATOM 1173 CB ILE A 75 17.971 -5.335 8.402 1.00 0.00 C ATOM 1174 CG1 ILE A 75 17.646 -4.175 7.458 1.00 0.00 C ATOM 1175 CG2 ILE A 75 19.456 -5.665 8.352 1.00 0.00 C ATOM 1176 CD1 ILE A 75 17.934 -4.481 6.004 1.00 0.00 C ATOM 0 H ILE A 75 15.478 -5.363 8.463 1.00 0.00 H new ATOM 0 HA ILE A 75 17.297 -6.815 6.986 1.00 0.00 H new ATOM 0 HB ILE A 75 17.719 -5.033 9.419 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.593 -3.914 7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.223 -3.300 7.758 1.00 0.00 H new ATOM 0 HG21 ILE A 75 20.035 -4.779 8.613 1.00 0.00 H new ATOM 0 HG22 ILE A 75 19.675 -6.464 9.061 1.00 0.00 H new ATOM 0 HG23 ILE A 75 19.723 -5.989 7.346 1.00 0.00 H new ATOM 0 HD11 ILE A 75 17.680 -3.615 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 75 18.992 -4.713 5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 75 17.337 -5.336 5.687 1.00 0.00 H new ATOM 1188 N GLN A 76 17.570 -7.547 10.213 1.00 0.00 N ATOM 1189 CA GLN A 76 17.973 -8.591 11.149 1.00 0.00 C ATOM 1190 C GLN A 76 17.184 -9.874 10.907 1.00 0.00 C ATOM 1191 O GLN A 76 16.007 -9.833 10.546 1.00 0.00 O ATOM 1192 CB GLN A 76 17.772 -8.119 12.590 1.00 0.00 C ATOM 1193 CG GLN A 76 16.362 -8.340 13.112 1.00 0.00 C ATOM 1194 CD GLN A 76 16.248 -8.106 14.605 1.00 0.00 C ATOM 1195 OE1 GLN A 76 17.044 -7.372 15.192 1.00 0.00 O ATOM 1196 NE2 GLN A 76 15.256 -8.731 15.228 1.00 0.00 N ATOM 0 H GLN A 76 17.287 -6.671 10.653 1.00 0.00 H new ATOM 0 HA GLN A 76 19.030 -8.800 10.987 1.00 0.00 H new ATOM 0 HB2 GLN A 76 18.476 -8.643 13.237 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.011 -7.057 12.652 1.00 0.00 H new ATOM 0 HG2 GLN A 76 15.677 -7.672 12.590 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.050 -9.359 12.883 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.620 -9.330 14.701 1.00 0.00 H new ATOM 0 HE22 GLN A 76 15.130 -8.612 16.233 1.00 0.00 H new ATOM 1205 N THR A 77 17.840 -11.012 11.107 1.00 0.00 N ATOM 1206 CA THR A 77 17.200 -12.307 10.909 1.00 0.00 C ATOM 1207 C THR A 77 16.168 -12.582 11.995 1.00 0.00 C ATOM 1208 O THR A 77 15.099 -13.130 11.725 1.00 0.00 O ATOM 1209 CB THR A 77 18.235 -13.449 10.899 1.00 0.00 C ATOM 1210 OG1 THR A 77 19.050 -13.361 9.724 1.00 0.00 O ATOM 1211 CG2 THR A 77 17.546 -14.804 10.943 1.00 0.00 C ATOM 0 H THR A 77 18.814 -11.064 11.406 1.00 0.00 H new ATOM 0 HA THR A 77 16.702 -12.269 9.940 1.00 0.00 H new ATOM 0 HB THR A 77 18.862 -13.349 11.785 1.00 0.00 H new ATOM 0 HG1 THR A 77 19.706 -14.089 9.726 1.00 0.00 H new ATOM 0 HG21 THR A 77 18.297 -15.594 10.935 1.00 0.00 H new ATOM 0 HG22 THR A 77 16.949 -14.879 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 77 16.898 -14.911 10.073 1.00 0.00 H new ATOM 1219 N ASP A 78 16.493 -12.198 13.225 1.00 0.00 N ATOM 1220 CA ASP A 78 15.591 -12.402 14.353 1.00 0.00 C ATOM 1221 C ASP A 78 14.390 -11.466 14.265 1.00 0.00 C ATOM 1222 O ASP A 78 13.693 -11.238 15.253 1.00 0.00 O ATOM 1223 CB ASP A 78 16.332 -12.177 15.672 1.00 0.00 C ATOM 1224 CG ASP A 78 15.448 -12.414 16.880 1.00 0.00 C ATOM 1225 OD1 ASP A 78 14.856 -13.510 16.977 1.00 0.00 O ATOM 1226 OD2 ASP A 78 15.346 -11.503 17.729 1.00 0.00 O ATOM 0 H ASP A 78 17.374 -11.744 13.466 1.00 0.00 H new ATOM 0 HA ASP A 78 15.231 -13.430 14.317 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.194 -12.843 15.720 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.716 -11.157 15.701 1.00 0.00 H new ATOM 1231 N ALA A 79 14.153 -10.926 13.073 1.00 0.00 N ATOM 1232 CA ALA A 79 13.036 -10.016 12.855 1.00 0.00 C ATOM 1233 C ALA A 79 11.802 -10.768 12.369 1.00 0.00 C ATOM 1234 O ALA A 79 11.891 -11.725 11.600 1.00 0.00 O ATOM 1235 CB ALA A 79 13.424 -8.934 11.858 1.00 0.00 C ATOM 0 H ALA A 79 14.720 -11.104 12.244 1.00 0.00 H new ATOM 0 HA ALA A 79 12.791 -9.546 13.807 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.580 -8.261 11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 79 14.272 -8.370 12.245 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.698 -9.395 10.909 1.00 0.00 H new ATOM 1241 N PRO A 80 10.620 -10.329 12.828 1.00 0.00 N ATOM 1242 CA PRO A 80 9.345 -10.948 12.453 1.00 0.00 C ATOM 1243 C PRO A 80 8.985 -10.691 10.994 1.00 0.00 C ATOM 1244 O PRO A 80 8.248 -11.465 10.382 1.00 0.00 O ATOM 1245 CB PRO A 80 8.336 -10.269 13.382 1.00 0.00 C ATOM 1246 CG PRO A 80 8.954 -8.957 13.720 1.00 0.00 C ATOM 1247 CD PRO A 80 10.439 -9.194 13.749 1.00 0.00 C ATOM 0 HA PRO A 80 9.372 -12.033 12.552 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.372 -10.137 12.891 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.159 -10.865 14.277 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.694 -8.201 12.979 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.598 -8.595 14.684 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.993 -8.315 13.418 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.789 -9.432 14.754 1.00 0.00 H new ATOM 1255 N LYS A 81 9.508 -9.602 10.443 1.00 0.00 N ATOM 1256 CA LYS A 81 9.243 -9.244 9.054 1.00 0.00 C ATOM 1257 C LYS A 81 10.478 -9.468 8.188 1.00 0.00 C ATOM 1258 O LYS A 81 10.578 -8.934 7.084 1.00 0.00 O ATOM 1259 CB LYS A 81 8.798 -7.783 8.958 1.00 0.00 C ATOM 1260 CG LYS A 81 7.657 -7.432 9.899 1.00 0.00 C ATOM 1261 CD LYS A 81 6.331 -7.975 9.394 1.00 0.00 C ATOM 1262 CE LYS A 81 5.283 -7.999 10.496 1.00 0.00 C ATOM 1263 NZ LYS A 81 4.153 -8.911 10.165 1.00 0.00 N ATOM 0 H LYS A 81 10.118 -8.951 10.937 1.00 0.00 H new ATOM 0 HA LYS A 81 8.443 -9.886 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.649 -7.138 9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.491 -7.572 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.863 -7.837 10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.591 -6.349 10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.976 -7.361 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.474 -8.983 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.745 -8.317 11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.901 -6.991 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.278 -8.550 10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.037 -8.959 9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.354 -9.862 10.536 1.00 0.00 H new ATOM 1277 N GLU A 82 11.416 -10.261 8.698 1.00 0.00 N ATOM 1278 CA GLU A 82 12.645 -10.554 7.969 1.00 0.00 C ATOM 1279 C GLU A 82 12.339 -10.990 6.539 1.00 0.00 C ATOM 1280 O GLU A 82 11.804 -12.074 6.308 1.00 0.00 O ATOM 1281 CB GLU A 82 13.440 -11.647 8.687 1.00 0.00 C ATOM 1282 CG GLU A 82 14.899 -11.713 8.267 1.00 0.00 C ATOM 1283 CD GLU A 82 15.077 -11.663 6.762 1.00 0.00 C ATOM 1284 OE1 GLU A 82 14.579 -12.579 6.074 1.00 0.00 O ATOM 1285 OE2 GLU A 82 15.713 -10.706 6.272 1.00 0.00 O ATOM 0 H GLU A 82 11.349 -10.711 9.611 1.00 0.00 H new ATOM 0 HA GLU A 82 13.242 -9.643 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 82 13.387 -11.476 9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.971 -12.612 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 82 15.441 -10.884 8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.342 -12.632 8.651 1.00 0.00 H new ATOM 1292 N VAL A 83 12.682 -10.134 5.580 1.00 0.00 N ATOM 1293 CA VAL A 83 12.444 -10.428 4.173 1.00 0.00 C ATOM 1294 C VAL A 83 13.679 -11.046 3.525 1.00 0.00 C ATOM 1295 O VAL A 83 14.724 -11.180 4.159 1.00 0.00 O ATOM 1296 CB VAL A 83 12.050 -9.160 3.393 1.00 0.00 C ATOM 1297 CG1 VAL A 83 10.799 -8.533 3.991 1.00 0.00 C ATOM 1298 CG2 VAL A 83 13.200 -8.165 3.377 1.00 0.00 C ATOM 0 H VAL A 83 13.125 -9.232 5.753 1.00 0.00 H new ATOM 0 HA VAL A 83 11.620 -11.140 4.133 1.00 0.00 H new ATOM 0 HB VAL A 83 11.830 -9.441 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.535 -7.638 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.976 -9.247 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.988 -8.264 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.904 -7.275 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.454 -7.886 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.068 -8.619 2.898 1.00 0.00 H new ATOM 1308 N ASN A 84 13.549 -11.422 2.257 1.00 0.00 N ATOM 1309 CA ASN A 84 14.655 -12.027 1.522 1.00 0.00 C ATOM 1310 C ASN A 84 15.569 -10.954 0.936 1.00 0.00 C ATOM 1311 O ASN A 84 15.199 -10.256 -0.008 1.00 0.00 O ATOM 1312 CB ASN A 84 14.121 -12.924 0.404 1.00 0.00 C ATOM 1313 CG ASN A 84 15.212 -13.370 -0.550 1.00 0.00 C ATOM 1314 OD1 ASN A 84 16.342 -13.633 -0.140 1.00 0.00 O ATOM 1315 ND2 ASN A 84 14.877 -13.457 -1.833 1.00 0.00 N ATOM 0 H ASN A 84 12.690 -11.319 1.717 1.00 0.00 H new ATOM 0 HA ASN A 84 15.235 -12.633 2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.644 -13.801 0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.352 -12.388 -0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 84 15.569 -13.752 -2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.928 -13.229 -2.129 1.00 0.00 H new ATOM 1322 N LEU A 85 16.765 -10.831 1.502 1.00 0.00 N ATOM 1323 CA LEU A 85 17.733 -9.845 1.036 1.00 0.00 C ATOM 1324 C LEU A 85 19.059 -10.510 0.680 1.00 0.00 C ATOM 1325 O LEU A 85 19.475 -11.471 1.326 1.00 0.00 O ATOM 1326 CB LEU A 85 17.957 -8.776 2.106 1.00 0.00 C ATOM 1327 CG LEU A 85 16.863 -7.715 2.235 1.00 0.00 C ATOM 1328 CD1 LEU A 85 17.123 -6.823 3.439 1.00 0.00 C ATOM 1329 CD2 LEU A 85 16.772 -6.885 0.963 1.00 0.00 C ATOM 0 H LEU A 85 17.087 -11.402 2.284 1.00 0.00 H new ATOM 0 HA LEU A 85 17.331 -9.374 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 85 18.069 -9.273 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.901 -8.272 1.896 1.00 0.00 H new ATOM 0 HG LEU A 85 15.909 -8.221 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 85 16.334 -6.074 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 85 17.136 -7.429 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.086 -6.325 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.988 -6.135 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.726 -6.389 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 85 16.536 -7.535 0.120 1.00 0.00 H new ATOM 1341 N ASP A 86 19.718 -9.990 -0.350 1.00 0.00 N ATOM 1342 CA ASP A 86 20.998 -10.531 -0.791 1.00 0.00 C ATOM 1343 C ASP A 86 22.073 -10.318 0.273 1.00 0.00 C ATOM 1344 O ASP A 86 21.920 -9.485 1.165 1.00 0.00 O ATOM 1345 CB ASP A 86 21.428 -9.878 -2.105 1.00 0.00 C ATOM 1346 CG ASP A 86 21.424 -8.364 -2.027 1.00 0.00 C ATOM 1347 OD1 ASP A 86 20.350 -7.786 -1.762 1.00 0.00 O ATOM 1348 OD2 ASP A 86 22.496 -7.758 -2.232 1.00 0.00 O ATOM 0 H ASP A 86 19.386 -9.194 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 86 20.876 -11.602 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 86 22.428 -10.223 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 86 20.759 -10.200 -2.903 1.00 0.00 H new ATOM 1353 N PHE A 87 23.158 -11.077 0.170 1.00 0.00 N ATOM 1354 CA PHE A 87 24.257 -10.973 1.123 1.00 0.00 C ATOM 1355 C PHE A 87 24.869 -9.576 1.097 1.00 0.00 C ATOM 1356 O PHE A 87 24.977 -8.914 2.131 1.00 0.00 O ATOM 1357 CB PHE A 87 25.331 -12.018 0.812 1.00 0.00 C ATOM 1358 CG PHE A 87 26.703 -11.625 1.278 1.00 0.00 C ATOM 1359 CD1 PHE A 87 26.951 -11.393 2.622 1.00 0.00 C ATOM 1360 CD2 PHE A 87 27.743 -11.486 0.375 1.00 0.00 C ATOM 1361 CE1 PHE A 87 28.213 -11.031 3.055 1.00 0.00 C ATOM 1362 CE2 PHE A 87 29.008 -11.124 0.802 1.00 0.00 C ATOM 1363 CZ PHE A 87 29.243 -10.897 2.144 1.00 0.00 C ATOM 0 H PHE A 87 23.300 -11.771 -0.564 1.00 0.00 H new ATOM 0 HA PHE A 87 23.858 -11.158 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 87 25.054 -12.962 1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 87 25.357 -12.191 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 87 26.150 -11.496 3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 87 27.565 -11.662 -0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 87 28.394 -10.853 4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 87 29.811 -11.019 0.087 1.00 0.00 H new ATOM 0 HZ PHE A 87 30.230 -10.615 2.480 1.00 0.00 H new ATOM 1373 N HIS A 88 25.266 -9.132 -0.091 1.00 0.00 N ATOM 1374 CA HIS A 88 25.867 -7.812 -0.252 1.00 0.00 C ATOM 1375 C HIS A 88 24.995 -6.737 0.389 1.00 0.00 C ATOM 1376 O HIS A 88 25.392 -6.102 1.368 1.00 0.00 O ATOM 1377 CB HIS A 88 26.073 -7.501 -1.735 1.00 0.00 C ATOM 1378 CG HIS A 88 27.163 -6.506 -1.991 1.00 0.00 C ATOM 1379 ND1 HIS A 88 28.366 -6.516 -1.317 1.00 0.00 N ATOM 1380 CD2 HIS A 88 27.227 -5.467 -2.857 1.00 0.00 C ATOM 1381 CE1 HIS A 88 29.121 -5.525 -1.754 1.00 0.00 C ATOM 1382 NE2 HIS A 88 28.455 -4.873 -2.689 1.00 0.00 N ATOM 0 H HIS A 88 25.183 -9.666 -0.956 1.00 0.00 H new ATOM 0 HA HIS A 88 26.835 -7.816 0.249 1.00 0.00 H new ATOM 0 HB2 HIS A 88 26.305 -8.426 -2.263 1.00 0.00 H new ATOM 0 HB3 HIS A 88 25.140 -7.121 -2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 88 26.457 -5.162 -3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 88 30.115 -5.288 -1.406 1.00 0.00 H new ATOM 0 HE2 HIS A 88 28.796 -4.061 -3.203 1.00 0.00 H new ATOM 1390 N THR A 89 23.805 -6.535 -0.170 1.00 0.00 N ATOM 1391 CA THR A 89 22.879 -5.535 0.346 1.00 0.00 C ATOM 1392 C THR A 89 22.764 -5.622 1.863 1.00 0.00 C ATOM 1393 O THR A 89 23.043 -4.657 2.574 1.00 0.00 O ATOM 1394 CB THR A 89 21.479 -5.694 -0.275 1.00 0.00 C ATOM 1395 OG1 THR A 89 21.557 -5.568 -1.699 1.00 0.00 O ATOM 1396 CG2 THR A 89 20.519 -4.650 0.279 1.00 0.00 C ATOM 0 H THR A 89 23.461 -7.051 -0.980 1.00 0.00 H new ATOM 0 HA THR A 89 23.281 -4.560 0.072 1.00 0.00 H new ATOM 0 HB THR A 89 21.103 -6.684 -0.018 1.00 0.00 H new ATOM 0 HG1 THR A 89 22.287 -6.128 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 89 19.537 -4.782 -0.174 1.00 0.00 H new ATOM 0 HG22 THR A 89 20.439 -4.767 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 89 20.894 -3.653 0.049 1.00 0.00 H new ATOM 1404 N LYS A 90 22.351 -6.786 2.354 1.00 0.00 N ATOM 1405 CA LYS A 90 22.200 -7.002 3.788 1.00 0.00 C ATOM 1406 C LYS A 90 23.434 -6.520 4.544 1.00 0.00 C ATOM 1407 O LYS A 90 23.322 -5.874 5.585 1.00 0.00 O ATOM 1408 CB LYS A 90 21.957 -8.485 4.078 1.00 0.00 C ATOM 1409 CG LYS A 90 21.077 -8.732 5.291 1.00 0.00 C ATOM 1410 CD LYS A 90 20.349 -10.061 5.190 1.00 0.00 C ATOM 1411 CE LYS A 90 19.281 -10.195 6.265 1.00 0.00 C ATOM 1412 NZ LYS A 90 19.829 -10.780 7.520 1.00 0.00 N ATOM 0 H LYS A 90 22.115 -7.595 1.779 1.00 0.00 H new ATOM 0 HA LYS A 90 21.340 -6.426 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 90 21.495 -8.946 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 90 22.917 -8.979 4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 90 21.688 -8.718 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.351 -7.925 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 90 19.889 -10.151 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 90 21.065 -10.877 5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 90 18.854 -9.215 6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.470 -10.823 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.378 -10.326 8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.636 -11.802 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 20.856 -10.621 7.557 1.00 0.00 H new ATOM 1426 N GLU A 91 24.611 -6.838 4.011 1.00 0.00 N ATOM 1427 CA GLU A 91 25.865 -6.436 4.637 1.00 0.00 C ATOM 1428 C GLU A 91 26.044 -4.922 4.573 1.00 0.00 C ATOM 1429 O GLU A 91 26.084 -4.246 5.601 1.00 0.00 O ATOM 1430 CB GLU A 91 27.046 -7.130 3.955 1.00 0.00 C ATOM 1431 CG GLU A 91 28.324 -7.105 4.776 1.00 0.00 C ATOM 1432 CD GLU A 91 28.314 -8.124 5.899 1.00 0.00 C ATOM 1433 OE1 GLU A 91 28.645 -9.300 5.635 1.00 0.00 O ATOM 1434 OE2 GLU A 91 27.978 -7.749 7.040 1.00 0.00 O ATOM 0 H GLU A 91 24.721 -7.372 3.149 1.00 0.00 H new ATOM 0 HA GLU A 91 25.832 -6.736 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 91 26.777 -8.166 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.232 -6.651 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.175 -7.298 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.463 -6.109 5.195 1.00 0.00 H new ATOM 1441 N VAL A 92 26.151 -4.396 3.357 1.00 0.00 N ATOM 1442 CA VAL A 92 26.325 -2.962 3.157 1.00 0.00 C ATOM 1443 C VAL A 92 25.535 -2.164 4.188 1.00 0.00 C ATOM 1444 O VAL A 92 26.044 -1.204 4.768 1.00 0.00 O ATOM 1445 CB VAL A 92 25.884 -2.534 1.745 1.00 0.00 C ATOM 1446 CG1 VAL A 92 25.985 -1.024 1.588 1.00 0.00 C ATOM 1447 CG2 VAL A 92 26.717 -3.245 0.689 1.00 0.00 C ATOM 0 H VAL A 92 26.120 -4.941 2.496 1.00 0.00 H new ATOM 0 HA VAL A 92 27.388 -2.753 3.276 1.00 0.00 H new ATOM 0 HB VAL A 92 24.841 -2.820 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 92 25.669 -0.741 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 92 25.341 -0.538 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 92 27.017 -0.710 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 92 26.392 -2.931 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 92 27.769 -2.991 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 92 26.588 -4.323 0.789 1.00 0.00 H new ATOM 1457 N ILE A 93 24.289 -2.567 4.412 1.00 0.00 N ATOM 1458 CA ILE A 93 23.429 -1.890 5.374 1.00 0.00 C ATOM 1459 C ILE A 93 23.918 -2.112 6.801 1.00 0.00 C ATOM 1460 O ILE A 93 23.996 -1.174 7.596 1.00 0.00 O ATOM 1461 CB ILE A 93 21.970 -2.373 5.263 1.00 0.00 C ATOM 1462 CG1 ILE A 93 21.414 -2.070 3.870 1.00 0.00 C ATOM 1463 CG2 ILE A 93 21.113 -1.719 6.336 1.00 0.00 C ATOM 1464 CD1 ILE A 93 20.034 -2.641 3.634 1.00 0.00 C ATOM 0 H ILE A 93 23.853 -3.359 3.940 1.00 0.00 H new ATOM 0 HA ILE A 93 23.470 -0.826 5.139 1.00 0.00 H new ATOM 0 HB ILE A 93 21.947 -3.452 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 93 21.381 -0.990 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 93 22.097 -2.469 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 93 20.085 -2.070 6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.500 -1.981 7.321 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.139 -0.636 6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 93 19.703 -2.388 2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 93 20.065 -3.725 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 93 19.338 -2.222 4.361 1.00 0.00 H new ATOM 1476 N THR A 94 24.250 -3.359 7.120 1.00 0.00 N ATOM 1477 CA THR A 94 24.733 -3.704 8.450 1.00 0.00 C ATOM 1478 C THR A 94 25.881 -2.794 8.872 1.00 0.00 C ATOM 1479 O THR A 94 25.917 -2.307 10.001 1.00 0.00 O ATOM 1480 CB THR A 94 25.205 -5.170 8.514 1.00 0.00 C ATOM 1481 OG1 THR A 94 24.134 -6.045 8.144 1.00 0.00 O ATOM 1482 CG2 THR A 94 25.694 -5.520 9.911 1.00 0.00 C ATOM 0 H THR A 94 24.193 -4.147 6.475 1.00 0.00 H new ATOM 0 HA THR A 94 23.896 -3.569 9.135 1.00 0.00 H new ATOM 0 HB THR A 94 26.033 -5.294 7.815 1.00 0.00 H new ATOM 0 HG1 THR A 94 23.932 -5.930 7.192 1.00 0.00 H new ATOM 0 HG21 THR A 94 26.022 -6.559 9.932 1.00 0.00 H new ATOM 0 HG22 THR A 94 26.528 -4.871 10.178 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.883 -5.381 10.626 1.00 0.00 H new ATOM 1490 N ASN A 95 26.818 -2.569 7.957 1.00 0.00 N ATOM 1491 CA ASN A 95 27.968 -1.716 8.235 1.00 0.00 C ATOM 1492 C ASN A 95 27.634 -0.250 7.976 1.00 0.00 C ATOM 1493 O ASN A 95 28.165 0.644 8.635 1.00 0.00 O ATOM 1494 CB ASN A 95 29.161 -2.138 7.375 1.00 0.00 C ATOM 1495 CG ASN A 95 29.467 -3.619 7.495 1.00 0.00 C ATOM 1496 OD1 ASN A 95 29.437 -4.323 6.369 1.00 0.00 O flip ATOM 1497 ND2 ASN A 95 29.727 -4.123 8.587 1.00 0.00 N flip ATOM 0 H ASN A 95 26.804 -2.965 7.017 1.00 0.00 H new ATOM 0 HA ASN A 95 28.228 -1.830 9.287 1.00 0.00 H new ATOM 0 HB2 ASN A 95 28.957 -1.896 6.332 1.00 0.00 H new ATOM 0 HB3 ASN A 95 30.039 -1.564 7.670 1.00 0.00 H new ATOM 0 HD21 ASN A 95 29.739 -3.544 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 95 29.931 -5.120 8.653 1.00 0.00 H new ATOM 1504 N SER A 96 26.749 -0.012 7.013 1.00 0.00 N ATOM 1505 CA SER A 96 26.346 1.346 6.665 1.00 0.00 C ATOM 1506 C SER A 96 25.088 1.751 7.428 1.00 0.00 C ATOM 1507 O SER A 96 24.401 2.701 7.053 1.00 0.00 O ATOM 1508 CB SER A 96 26.100 1.457 5.160 1.00 0.00 C ATOM 1509 OG SER A 96 27.234 1.029 4.425 1.00 0.00 O ATOM 0 H SER A 96 26.298 -0.741 6.460 1.00 0.00 H new ATOM 0 HA SER A 96 27.154 2.022 6.945 1.00 0.00 H new ATOM 0 HB2 SER A 96 25.235 0.854 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 96 25.864 2.489 4.902 1.00 0.00 H new ATOM 0 HG SER A 96 27.131 0.084 4.186 1.00 0.00 H new ATOM 1515 N ILE A 97 24.794 1.023 8.500 1.00 0.00 N ATOM 1516 CA ILE A 97 23.620 1.306 9.317 1.00 0.00 C ATOM 1517 C ILE A 97 23.831 2.554 10.169 1.00 0.00 C ATOM 1518 O ILE A 97 22.896 3.065 10.785 1.00 0.00 O ATOM 1519 CB ILE A 97 23.276 0.122 10.239 1.00 0.00 C ATOM 1520 CG1 ILE A 97 21.865 0.284 10.808 1.00 0.00 C ATOM 1521 CG2 ILE A 97 24.296 0.010 11.361 1.00 0.00 C ATOM 1522 CD1 ILE A 97 20.777 0.186 9.762 1.00 0.00 C ATOM 0 H ILE A 97 25.352 0.233 8.823 1.00 0.00 H new ATOM 0 HA ILE A 97 22.791 1.473 8.630 1.00 0.00 H new ATOM 0 HB ILE A 97 23.308 -0.797 9.653 1.00 0.00 H new ATOM 0 HG12 ILE A 97 21.698 -0.480 11.567 1.00 0.00 H new ATOM 0 HG13 ILE A 97 21.792 1.250 11.307 1.00 0.00 H new ATOM 0 HG21 ILE A 97 24.039 -0.832 12.004 1.00 0.00 H new ATOM 0 HG22 ILE A 97 25.288 -0.147 10.937 1.00 0.00 H new ATOM 0 HG23 ILE A 97 24.294 0.929 11.948 1.00 0.00 H new ATOM 0 HD11 ILE A 97 19.804 0.310 10.237 1.00 0.00 H new ATOM 0 HD12 ILE A 97 20.919 0.967 9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.823 -0.790 9.279 1.00 0.00 H new ATOM 1534 N THR A 98 25.067 3.042 10.197 1.00 0.00 N ATOM 1535 CA THR A 98 25.403 4.231 10.972 1.00 0.00 C ATOM 1536 C THR A 98 25.616 5.437 10.063 1.00 0.00 C ATOM 1537 O THR A 98 25.586 6.579 10.519 1.00 0.00 O ATOM 1538 CB THR A 98 26.669 4.010 11.820 1.00 0.00 C ATOM 1539 OG1 THR A 98 26.938 5.173 12.611 1.00 0.00 O ATOM 1540 CG2 THR A 98 27.867 3.705 10.934 1.00 0.00 C ATOM 0 H THR A 98 25.853 2.632 9.692 1.00 0.00 H new ATOM 0 HA THR A 98 24.561 4.424 11.636 1.00 0.00 H new ATOM 0 HB THR A 98 26.496 3.157 12.476 1.00 0.00 H new ATOM 0 HG1 THR A 98 26.537 5.959 12.184 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.750 3.553 11.555 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.671 2.803 10.355 1.00 0.00 H new ATOM 0 HG23 THR A 98 28.040 4.541 10.256 1.00 0.00 H new ATOM 1548 N GLN A 99 25.832 5.174 8.779 1.00 0.00 N ATOM 1549 CA GLN A 99 26.051 6.239 7.808 1.00 0.00 C ATOM 1550 C GLN A 99 24.961 6.236 6.741 1.00 0.00 C ATOM 1551 O GLN A 99 25.178 6.629 5.595 1.00 0.00 O ATOM 1552 CB GLN A 99 27.424 6.085 7.151 1.00 0.00 C ATOM 1553 CG GLN A 99 27.545 4.846 6.279 1.00 0.00 C ATOM 1554 CD GLN A 99 28.967 4.597 5.812 1.00 0.00 C ATOM 1555 OE1 GLN A 99 29.540 5.402 5.077 1.00 0.00 O ATOM 1556 NE2 GLN A 99 29.543 3.480 6.237 1.00 0.00 N ATOM 0 H GLN A 99 25.860 4.233 8.387 1.00 0.00 H new ATOM 0 HA GLN A 99 26.014 7.191 8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 99 27.629 6.967 6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 99 28.187 6.048 7.928 1.00 0.00 H new ATOM 0 HG2 GLN A 99 27.193 3.978 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 99 26.895 4.953 5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 99 29.030 2.841 6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 99 30.498 3.260 5.956 1.00 0.00 H new ATOM 1565 N PRO A 100 23.759 5.781 7.125 1.00 0.00 N ATOM 1566 CA PRO A 100 22.610 5.717 6.215 1.00 0.00 C ATOM 1567 C PRO A 100 22.081 7.099 5.851 1.00 0.00 C ATOM 1568 O PRO A 100 22.252 8.060 6.601 1.00 0.00 O ATOM 1569 CB PRO A 100 21.565 4.939 7.019 1.00 0.00 C ATOM 1570 CG PRO A 100 21.928 5.177 8.444 1.00 0.00 C ATOM 1571 CD PRO A 100 23.427 5.297 8.475 1.00 0.00 C ATOM 0 HA PRO A 100 22.869 5.253 5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 100 20.557 5.292 6.803 1.00 0.00 H new ATOM 0 HB3 PRO A 100 21.590 3.877 6.776 1.00 0.00 H new ATOM 0 HG2 PRO A 100 21.456 6.084 8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 100 21.589 4.356 9.075 1.00 0.00 H new ATOM 0 HD2 PRO A 100 23.758 5.994 9.245 1.00 0.00 H new ATOM 0 HD3 PRO A 100 23.902 4.339 8.687 1.00 0.00 H new ATOM 1579 N THR A 101 21.434 7.195 4.693 1.00 0.00 N ATOM 1580 CA THR A 101 20.880 8.459 4.229 1.00 0.00 C ATOM 1581 C THR A 101 19.477 8.270 3.664 1.00 0.00 C ATOM 1582 O THR A 101 18.964 7.152 3.606 1.00 0.00 O ATOM 1583 CB THR A 101 21.773 9.101 3.150 1.00 0.00 C ATOM 1584 OG1 THR A 101 21.846 8.247 2.002 1.00 0.00 O ATOM 1585 CG2 THR A 101 23.172 9.358 3.687 1.00 0.00 C ATOM 0 H THR A 101 21.281 6.410 4.059 1.00 0.00 H new ATOM 0 HA THR A 101 20.834 9.121 5.094 1.00 0.00 H new ATOM 0 HB THR A 101 21.330 10.055 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 101 21.860 7.311 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 101 23.784 9.811 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 101 23.116 10.032 4.542 1.00 0.00 H new ATOM 0 HG23 THR A 101 23.621 8.415 3.998 1.00 0.00 H new ATOM 1593 N LEU A 102 18.858 9.371 3.249 1.00 0.00 N ATOM 1594 CA LEU A 102 17.513 9.327 2.688 1.00 0.00 C ATOM 1595 C LEU A 102 17.495 8.551 1.374 1.00 0.00 C ATOM 1596 O LEU A 102 16.465 8.009 0.975 1.00 0.00 O ATOM 1597 CB LEU A 102 16.985 10.745 2.463 1.00 0.00 C ATOM 1598 CG LEU A 102 16.844 11.615 3.713 1.00 0.00 C ATOM 1599 CD1 LEU A 102 16.490 13.043 3.332 1.00 0.00 C ATOM 1600 CD2 LEU A 102 15.795 11.034 4.650 1.00 0.00 C ATOM 0 H LEU A 102 19.267 10.305 3.291 1.00 0.00 H new ATOM 0 HA LEU A 102 16.867 8.814 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 102 17.651 11.252 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.010 10.676 1.981 1.00 0.00 H new ATOM 0 HG LEU A 102 17.801 11.628 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.394 13.647 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 102 17.276 13.457 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.546 13.051 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 102 15.707 11.665 5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.834 10.991 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.092 10.029 4.950 1.00 0.00 H new ATOM 1612 N HIS A 103 18.644 8.502 0.708 1.00 0.00 N ATOM 1613 CA HIS A 103 18.762 7.790 -0.560 1.00 0.00 C ATOM 1614 C HIS A 103 19.503 6.469 -0.375 1.00 0.00 C ATOM 1615 O HIS A 103 19.993 5.881 -1.339 1.00 0.00 O ATOM 1616 CB HIS A 103 19.490 8.656 -1.590 1.00 0.00 C ATOM 1617 CG HIS A 103 18.898 10.023 -1.747 1.00 0.00 C ATOM 1618 ND1 HIS A 103 18.746 11.029 -0.855 1.00 0.00 N flip ATOM 1619 CD2 HIS A 103 18.377 10.485 -2.937 1.00 0.00 C flip ATOM 1620 CE1 HIS A 103 18.143 12.072 -1.517 1.00 0.00 C flip ATOM 1621 NE2 HIS A 103 17.931 11.718 -2.772 1.00 0.00 N flip ATOM 0 H HIS A 103 19.506 8.946 1.025 1.00 0.00 H new ATOM 0 HA HIS A 103 17.757 7.575 -0.922 1.00 0.00 H new ATOM 0 HB2 HIS A 103 20.536 8.753 -1.297 1.00 0.00 H new ATOM 0 HB3 HIS A 103 19.475 8.149 -2.555 1.00 0.00 H new ATOM 0 HD2 HIS A 103 18.339 9.926 -3.860 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.885 13.026 -1.082 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.497 12.297 -3.491 1.00 0.00 H new ATOM 1629 N SER A 104 19.580 6.010 0.869 1.00 0.00 N ATOM 1630 CA SER A 104 20.266 4.760 1.182 1.00 0.00 C ATOM 1631 C SER A 104 19.331 3.568 1.001 1.00 0.00 C ATOM 1632 O SER A 104 19.498 2.768 0.080 1.00 0.00 O ATOM 1633 CB SER A 104 20.799 4.792 2.615 1.00 0.00 C ATOM 1634 OG SER A 104 22.027 5.496 2.687 1.00 0.00 O ATOM 0 H SER A 104 19.177 6.484 1.677 1.00 0.00 H new ATOM 0 HA SER A 104 21.104 4.651 0.493 1.00 0.00 H new ATOM 0 HB2 SER A 104 20.066 5.265 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.938 3.773 2.977 1.00 0.00 H new ATOM 0 HG SER A 104 22.726 4.900 3.027 1.00 0.00 H new ATOM 1640 N PHE A 105 18.346 3.457 1.885 1.00 0.00 N ATOM 1641 CA PHE A 105 17.384 2.362 1.825 1.00 0.00 C ATOM 1642 C PHE A 105 16.932 2.114 0.389 1.00 0.00 C ATOM 1643 O PHE A 105 16.669 0.977 -0.003 1.00 0.00 O ATOM 1644 CB PHE A 105 16.172 2.672 2.707 1.00 0.00 C ATOM 1645 CG PHE A 105 16.316 2.177 4.118 1.00 0.00 C ATOM 1646 CD1 PHE A 105 16.565 0.838 4.375 1.00 0.00 C ATOM 1647 CD2 PHE A 105 16.203 3.052 5.187 1.00 0.00 C ATOM 1648 CE1 PHE A 105 16.697 0.381 5.673 1.00 0.00 C ATOM 1649 CE2 PHE A 105 16.334 2.600 6.487 1.00 0.00 C ATOM 1650 CZ PHE A 105 16.583 1.263 6.730 1.00 0.00 C ATOM 0 H PHE A 105 18.192 4.112 2.652 1.00 0.00 H new ATOM 0 HA PHE A 105 17.873 1.460 2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.010 3.750 2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.284 2.223 2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.657 0.144 3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 105 16.010 4.099 5.002 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.889 -0.665 5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 105 16.242 3.291 7.312 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.688 0.908 7.745 1.00 0.00 H new ATOM 1660 N ASP A 106 16.845 3.186 -0.391 1.00 0.00 N ATOM 1661 CA ASP A 106 16.425 3.085 -1.784 1.00 0.00 C ATOM 1662 C ASP A 106 16.929 1.789 -2.412 1.00 0.00 C ATOM 1663 O ASP A 106 16.179 1.077 -3.077 1.00 0.00 O ATOM 1664 CB ASP A 106 16.939 4.286 -2.581 1.00 0.00 C ATOM 1665 CG ASP A 106 16.340 4.355 -3.972 1.00 0.00 C ATOM 1666 OD1 ASP A 106 15.153 4.726 -4.088 1.00 0.00 O ATOM 1667 OD2 ASP A 106 17.057 4.039 -4.944 1.00 0.00 O ATOM 0 H ASP A 106 17.060 4.134 -0.083 1.00 0.00 H new ATOM 0 HA ASP A 106 15.335 3.080 -1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.705 5.204 -2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 106 18.025 4.230 -2.658 1.00 0.00 H new ATOM 1672 N ALA A 107 18.206 1.491 -2.194 1.00 0.00 N ATOM 1673 CA ALA A 107 18.810 0.280 -2.737 1.00 0.00 C ATOM 1674 C ALA A 107 18.052 -0.963 -2.283 1.00 0.00 C ATOM 1675 O ALA A 107 17.553 -1.731 -3.104 1.00 0.00 O ATOM 1676 CB ALA A 107 20.272 0.190 -2.326 1.00 0.00 C ATOM 0 H ALA A 107 18.842 2.071 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 107 18.752 0.331 -3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.711 -0.719 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.811 1.058 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 107 20.343 0.166 -1.239 1.00 0.00 H new ATOM 1682 N ALA A 108 17.972 -1.154 -0.970 1.00 0.00 N ATOM 1683 CA ALA A 108 17.274 -2.303 -0.407 1.00 0.00 C ATOM 1684 C ALA A 108 15.838 -2.377 -0.916 1.00 0.00 C ATOM 1685 O ALA A 108 15.343 -3.454 -1.246 1.00 0.00 O ATOM 1686 CB ALA A 108 17.295 -2.241 1.113 1.00 0.00 C ATOM 0 H ALA A 108 18.382 -0.528 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 108 17.793 -3.206 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 108 16.770 -3.105 1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 108 18.327 -2.246 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 108 16.803 -1.328 1.447 1.00 0.00 H new ATOM 1692 N GLN A 109 15.177 -1.227 -0.976 1.00 0.00 N ATOM 1693 CA GLN A 109 13.797 -1.162 -1.444 1.00 0.00 C ATOM 1694 C GLN A 109 13.644 -1.868 -2.787 1.00 0.00 C ATOM 1695 O GLN A 109 12.680 -2.600 -3.010 1.00 0.00 O ATOM 1696 CB GLN A 109 13.344 0.294 -1.565 1.00 0.00 C ATOM 1697 CG GLN A 109 12.009 0.459 -2.273 1.00 0.00 C ATOM 1698 CD GLN A 109 11.575 1.909 -2.369 1.00 0.00 C ATOM 1699 OE1 GLN A 109 12.224 2.720 -3.031 1.00 0.00 O ATOM 1700 NE2 GLN A 109 10.473 2.243 -1.708 1.00 0.00 N ATOM 0 H GLN A 109 15.574 -0.327 -0.707 1.00 0.00 H new ATOM 0 HA GLN A 109 13.168 -1.670 -0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 109 13.273 0.728 -0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 109 14.104 0.859 -2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 109 12.079 0.037 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 109 11.247 -0.110 -1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 109 9.966 1.538 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.133 3.204 -1.736 1.00 0.00 H new ATOM 1709 N SER A 110 14.601 -1.641 -3.681 1.00 0.00 N ATOM 1710 CA SER A 110 14.571 -2.252 -5.005 1.00 0.00 C ATOM 1711 C SER A 110 14.321 -3.754 -4.906 1.00 0.00 C ATOM 1712 O SER A 110 13.449 -4.295 -5.584 1.00 0.00 O ATOM 1713 CB SER A 110 15.888 -1.991 -5.740 1.00 0.00 C ATOM 1714 OG SER A 110 15.973 -2.765 -6.924 1.00 0.00 O ATOM 0 H SER A 110 15.407 -1.039 -3.513 1.00 0.00 H new ATOM 0 HA SER A 110 13.753 -1.801 -5.567 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.966 -0.932 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.727 -2.228 -5.086 1.00 0.00 H new ATOM 0 HG SER A 110 16.822 -2.579 -7.376 1.00 0.00 H new ATOM 1720 N ARG A 111 15.093 -4.420 -4.053 1.00 0.00 N ATOM 1721 CA ARG A 111 14.956 -5.859 -3.863 1.00 0.00 C ATOM 1722 C ARG A 111 13.507 -6.234 -3.569 1.00 0.00 C ATOM 1723 O ARG A 111 12.906 -7.040 -4.279 1.00 0.00 O ATOM 1724 CB ARG A 111 15.859 -6.333 -2.723 1.00 0.00 C ATOM 1725 CG ARG A 111 17.298 -6.578 -3.146 1.00 0.00 C ATOM 1726 CD ARG A 111 17.465 -7.946 -3.787 1.00 0.00 C ATOM 1727 NE ARG A 111 17.329 -7.891 -5.240 1.00 0.00 N ATOM 1728 CZ ARG A 111 18.002 -8.679 -6.071 1.00 0.00 C ATOM 1729 NH1 ARG A 111 18.850 -9.580 -5.596 1.00 0.00 N ATOM 1730 NH2 ARG A 111 17.824 -8.569 -7.382 1.00 0.00 N ATOM 0 H ARG A 111 15.819 -3.986 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 111 15.260 -6.352 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 111 15.845 -5.589 -1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 111 15.450 -7.253 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 111 17.608 -5.805 -3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 111 17.952 -6.500 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 111 18.444 -8.349 -3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 111 16.721 -8.630 -3.379 1.00 0.00 H new ATOM 0 HE ARG A 111 16.682 -7.210 -5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 111 18.988 -9.670 -4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 111 19.365 -10.183 -6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 111 17.170 -7.879 -7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 111 18.341 -9.174 -8.019 1.00 0.00 H new ATOM 1744 N VAL A 112 12.950 -5.644 -2.516 1.00 0.00 N ATOM 1745 CA VAL A 112 11.572 -5.915 -2.127 1.00 0.00 C ATOM 1746 C VAL A 112 10.606 -5.580 -3.259 1.00 0.00 C ATOM 1747 O VAL A 112 9.676 -6.336 -3.540 1.00 0.00 O ATOM 1748 CB VAL A 112 11.174 -5.115 -0.873 1.00 0.00 C ATOM 1749 CG1 VAL A 112 9.719 -5.372 -0.514 1.00 0.00 C ATOM 1750 CG2 VAL A 112 12.089 -5.462 0.292 1.00 0.00 C ATOM 0 H VAL A 112 13.433 -4.975 -1.917 1.00 0.00 H new ATOM 0 HA VAL A 112 11.510 -6.980 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 112 11.286 -4.053 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.457 -4.798 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 112 9.080 -5.069 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.575 -6.434 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.794 -4.888 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.011 -6.527 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 112 13.119 -5.220 0.030 1.00 0.00 H new ATOM 1760 N TYR A 113 10.833 -4.441 -3.903 1.00 0.00 N ATOM 1761 CA TYR A 113 9.981 -4.003 -5.004 1.00 0.00 C ATOM 1762 C TYR A 113 9.918 -5.063 -6.099 1.00 0.00 C ATOM 1763 O TYR A 113 8.842 -5.394 -6.595 1.00 0.00 O ATOM 1764 CB TYR A 113 10.498 -2.685 -5.584 1.00 0.00 C ATOM 1765 CG TYR A 113 9.816 -2.282 -6.871 1.00 0.00 C ATOM 1766 CD1 TYR A 113 8.593 -1.625 -6.855 1.00 0.00 C ATOM 1767 CD2 TYR A 113 10.396 -2.557 -8.103 1.00 0.00 C ATOM 1768 CE1 TYR A 113 7.965 -1.254 -8.030 1.00 0.00 C ATOM 1769 CE2 TYR A 113 9.777 -2.190 -9.282 1.00 0.00 C ATOM 1770 CZ TYR A 113 8.562 -1.538 -9.240 1.00 0.00 C ATOM 1771 OH TYR A 113 7.941 -1.171 -10.412 1.00 0.00 O ATOM 0 H TYR A 113 11.599 -3.804 -3.683 1.00 0.00 H new ATOM 0 HA TYR A 113 8.975 -3.850 -4.613 1.00 0.00 H new ATOM 0 HB2 TYR A 113 10.360 -1.894 -4.847 1.00 0.00 H new ATOM 0 HB3 TYR A 113 11.570 -2.772 -5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 113 8.124 -1.400 -5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 113 11.347 -3.067 -8.140 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.013 -0.745 -8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 113 10.242 -2.412 -10.231 1.00 0.00 H new ATOM 0 HH TYR A 113 8.493 -1.443 -11.174 1.00 0.00 H new ATOM 1781 N GLN A 114 11.080 -5.592 -6.469 1.00 0.00 N ATOM 1782 CA GLN A 114 11.156 -6.615 -7.505 1.00 0.00 C ATOM 1783 C GLN A 114 10.627 -7.950 -6.993 1.00 0.00 C ATOM 1784 O GLN A 114 9.814 -8.601 -7.649 1.00 0.00 O ATOM 1785 CB GLN A 114 12.600 -6.776 -7.986 1.00 0.00 C ATOM 1786 CG GLN A 114 13.216 -5.487 -8.504 1.00 0.00 C ATOM 1787 CD GLN A 114 14.287 -5.730 -9.549 1.00 0.00 C ATOM 1788 OE1 GLN A 114 15.455 -5.940 -9.220 1.00 0.00 O ATOM 1789 NE2 GLN A 114 13.894 -5.703 -10.816 1.00 0.00 N ATOM 0 H GLN A 114 11.980 -5.330 -6.067 1.00 0.00 H new ATOM 0 HA GLN A 114 10.534 -6.296 -8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 114 13.208 -7.155 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.629 -7.526 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.433 -4.861 -8.931 1.00 0.00 H new ATOM 0 HG3 GLN A 114 13.647 -4.934 -7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.916 -5.525 -11.043 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.570 -5.860 -11.563 1.00 0.00 H new ATOM 1798 N LEU A 115 11.094 -8.354 -5.816 1.00 0.00 N ATOM 1799 CA LEU A 115 10.667 -9.612 -5.214 1.00 0.00 C ATOM 1800 C LEU A 115 9.152 -9.765 -5.287 1.00 0.00 C ATOM 1801 O LEU A 115 8.639 -10.851 -5.556 1.00 0.00 O ATOM 1802 CB LEU A 115 11.129 -9.686 -3.758 1.00 0.00 C ATOM 1803 CG LEU A 115 12.585 -10.094 -3.535 1.00 0.00 C ATOM 1804 CD1 LEU A 115 13.064 -9.640 -2.165 1.00 0.00 C ATOM 1805 CD2 LEU A 115 12.747 -11.599 -3.687 1.00 0.00 C ATOM 0 H LEU A 115 11.768 -7.828 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 115 11.123 -10.428 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.972 -8.710 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.490 -10.394 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 115 13.198 -9.605 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 115 14.103 -9.940 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.987 -8.555 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 115 12.447 -10.099 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.790 -11.871 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.121 -12.108 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 115 12.446 -11.898 -4.691 1.00 0.00 H new ATOM 1817 N MET A 116 8.439 -8.668 -5.048 1.00 0.00 N ATOM 1818 CA MET A 116 6.981 -8.680 -5.090 1.00 0.00 C ATOM 1819 C MET A 116 6.479 -8.690 -6.531 1.00 0.00 C ATOM 1820 O MET A 116 5.792 -9.620 -6.951 1.00 0.00 O ATOM 1821 CB MET A 116 6.419 -7.464 -4.350 1.00 0.00 C ATOM 1822 CG MET A 116 6.628 -7.518 -2.846 1.00 0.00 C ATOM 1823 SD MET A 116 5.773 -6.190 -1.978 1.00 0.00 S ATOM 1824 CE MET A 116 6.521 -4.751 -2.739 1.00 0.00 C ATOM 0 H MET A 116 8.847 -7.761 -4.823 1.00 0.00 H new ATOM 0 HA MET A 116 6.635 -9.588 -4.597 1.00 0.00 H new ATOM 0 HB2 MET A 116 6.889 -6.562 -4.742 1.00 0.00 H new ATOM 0 HB3 MET A 116 5.352 -7.384 -4.558 1.00 0.00 H new ATOM 0 HG2 MET A 116 6.277 -8.478 -2.469 1.00 0.00 H new ATOM 0 HG3 MET A 116 7.695 -7.461 -2.629 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.048 -4.171 -1.981 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.226 -5.070 -3.507 1.00 0.00 H new ATOM 0 HE3 MET A 116 5.745 -4.135 -3.193 1.00 0.00 H new ATOM 1834 N GLU A 117 6.828 -7.651 -7.282 1.00 0.00 N ATOM 1835 CA GLU A 117 6.411 -7.541 -8.675 1.00 0.00 C ATOM 1836 C GLU A 117 6.616 -8.863 -9.410 1.00 0.00 C ATOM 1837 O GLU A 117 5.997 -9.111 -10.445 1.00 0.00 O ATOM 1838 CB GLU A 117 7.191 -6.428 -9.378 1.00 0.00 C ATOM 1839 CG GLU A 117 6.962 -6.380 -10.879 1.00 0.00 C ATOM 1840 CD GLU A 117 7.965 -5.495 -11.595 1.00 0.00 C ATOM 1841 OE1 GLU A 117 7.718 -4.273 -11.684 1.00 0.00 O ATOM 1842 OE2 GLU A 117 8.995 -6.022 -12.063 1.00 0.00 O ATOM 0 H GLU A 117 7.398 -6.873 -6.950 1.00 0.00 H new ATOM 0 HA GLU A 117 5.349 -7.296 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.909 -5.468 -8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 117 8.255 -6.564 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.020 -7.390 -11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.954 -6.015 -11.077 1.00 0.00 H new ATOM 1849 N GLN A 118 7.487 -9.706 -8.866 1.00 0.00 N ATOM 1850 CA GLN A 118 7.774 -11.002 -9.471 1.00 0.00 C ATOM 1851 C GLN A 118 6.521 -11.870 -9.518 1.00 0.00 C ATOM 1852 O GLN A 118 5.979 -12.137 -10.591 1.00 0.00 O ATOM 1853 CB GLN A 118 8.876 -11.719 -8.689 1.00 0.00 C ATOM 1854 CG GLN A 118 10.278 -11.247 -9.041 1.00 0.00 C ATOM 1855 CD GLN A 118 10.780 -11.832 -10.347 1.00 0.00 C ATOM 1856 OE1 GLN A 118 10.376 -11.229 -11.460 1.00 0.00 O flip ATOM 1857 NE2 GLN A 118 11.523 -12.813 -10.356 1.00 0.00 N flip ATOM 0 H GLN A 118 8.006 -9.516 -8.009 1.00 0.00 H new ATOM 0 HA GLN A 118 8.114 -10.831 -10.492 1.00 0.00 H new ATOM 0 HB2 GLN A 118 8.709 -11.570 -7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.805 -12.790 -8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 118 10.285 -10.159 -9.108 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.962 -11.521 -8.238 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.808 -13.245 -9.477 1.00 0.00 H new ATOM 0 HE22 GLN A 118 11.853 -13.194 -11.242 1.00 0.00 H new ATOM 1866 N ASP A 119 6.065 -12.307 -8.349 1.00 0.00 N ATOM 1867 CA ASP A 119 4.875 -13.144 -8.258 1.00 0.00 C ATOM 1868 C ASP A 119 3.780 -12.448 -7.455 1.00 0.00 C ATOM 1869 O ASP A 119 2.598 -12.551 -7.780 1.00 0.00 O ATOM 1870 CB ASP A 119 5.219 -14.488 -7.614 1.00 0.00 C ATOM 1871 CG ASP A 119 5.068 -14.464 -6.107 1.00 0.00 C ATOM 1872 OD1 ASP A 119 3.952 -14.739 -5.617 1.00 0.00 O ATOM 1873 OD2 ASP A 119 6.065 -14.171 -5.415 1.00 0.00 O ATOM 0 H ASP A 119 6.502 -12.095 -7.452 1.00 0.00 H new ATOM 0 HA ASP A 119 4.505 -13.317 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 119 4.573 -15.262 -8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.244 -14.758 -7.869 1.00 0.00 H new ATOM 1878 N SER A 120 4.184 -11.740 -6.406 1.00 0.00 N ATOM 1879 CA SER A 120 3.237 -11.030 -5.553 1.00 0.00 C ATOM 1880 C SER A 120 2.283 -10.182 -6.389 1.00 0.00 C ATOM 1881 O SER A 120 1.065 -10.250 -6.221 1.00 0.00 O ATOM 1882 CB SER A 120 3.984 -10.143 -4.554 1.00 0.00 C ATOM 1883 OG SER A 120 4.719 -10.924 -3.628 1.00 0.00 O ATOM 0 H SER A 120 5.160 -11.642 -6.126 1.00 0.00 H new ATOM 0 HA SER A 120 2.653 -11.770 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 120 4.660 -9.477 -5.090 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.273 -9.513 -4.019 1.00 0.00 H new ATOM 0 HG SER A 120 5.188 -10.334 -3.002 1.00 0.00 H new ATOM 1889 N TYR A 121 2.846 -9.384 -7.290 1.00 0.00 N ATOM 1890 CA TYR A 121 2.047 -8.522 -8.151 1.00 0.00 C ATOM 1891 C TYR A 121 1.198 -9.348 -9.114 1.00 0.00 C ATOM 1892 O TYR A 121 -0.032 -9.283 -9.088 1.00 0.00 O ATOM 1893 CB TYR A 121 2.951 -7.572 -8.938 1.00 0.00 C ATOM 1894 CG TYR A 121 2.218 -6.769 -9.989 1.00 0.00 C ATOM 1895 CD1 TYR A 121 1.178 -5.918 -9.640 1.00 0.00 C ATOM 1896 CD2 TYR A 121 2.567 -6.862 -11.331 1.00 0.00 C ATOM 1897 CE1 TYR A 121 0.504 -5.183 -10.597 1.00 0.00 C ATOM 1898 CE2 TYR A 121 1.900 -6.129 -12.294 1.00 0.00 C ATOM 1899 CZ TYR A 121 0.870 -5.292 -11.922 1.00 0.00 C ATOM 1900 OH TYR A 121 0.203 -4.562 -12.879 1.00 0.00 O ATOM 0 H TYR A 121 3.852 -9.317 -7.442 1.00 0.00 H new ATOM 0 HA TYR A 121 1.380 -7.937 -7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 121 3.437 -6.887 -8.243 1.00 0.00 H new ATOM 0 HB3 TYR A 121 3.740 -8.150 -9.419 1.00 0.00 H new ATOM 0 HD1 TYR A 121 0.891 -5.829 -8.603 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.373 -7.518 -11.626 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -0.304 -4.527 -10.309 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.184 -6.212 -13.333 1.00 0.00 H new ATOM 0 HH TYR A 121 0.791 -4.418 -13.650 1.00 0.00 H new ATOM 1910 N THR A 122 1.864 -10.124 -9.962 1.00 0.00 N ATOM 1911 CA THR A 122 1.173 -10.963 -10.934 1.00 0.00 C ATOM 1912 C THR A 122 -0.035 -11.649 -10.307 1.00 0.00 C ATOM 1913 O THR A 122 -1.129 -11.639 -10.872 1.00 0.00 O ATOM 1914 CB THR A 122 2.112 -12.035 -11.518 1.00 0.00 C ATOM 1915 OG1 THR A 122 2.657 -12.837 -10.464 1.00 0.00 O ATOM 1916 CG2 THR A 122 3.240 -11.393 -12.309 1.00 0.00 C ATOM 0 H THR A 122 2.881 -10.189 -9.996 1.00 0.00 H new ATOM 0 HA THR A 122 0.838 -10.307 -11.737 1.00 0.00 H new ATOM 0 HB THR A 122 1.532 -12.667 -12.191 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.658 -12.324 -9.629 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.890 -12.170 -12.712 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.823 -10.808 -13.129 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.817 -10.740 -11.655 1.00 0.00 H new ATOM 1924 N ARG A 123 0.168 -12.243 -9.135 1.00 0.00 N ATOM 1925 CA ARG A 123 -0.904 -12.935 -8.432 1.00 0.00 C ATOM 1926 C ARG A 123 -2.012 -11.961 -8.039 1.00 0.00 C ATOM 1927 O ARG A 123 -3.195 -12.237 -8.240 1.00 0.00 O ATOM 1928 CB ARG A 123 -0.359 -13.635 -7.186 1.00 0.00 C ATOM 1929 CG ARG A 123 0.202 -15.020 -7.462 1.00 0.00 C ATOM 1930 CD ARG A 123 1.101 -15.493 -6.331 1.00 0.00 C ATOM 1931 NE ARG A 123 1.874 -16.675 -6.703 1.00 0.00 N ATOM 1932 CZ ARG A 123 2.613 -17.370 -5.846 1.00 0.00 C ATOM 1933 NH1 ARG A 123 2.679 -17.003 -4.574 1.00 0.00 N ATOM 1934 NH2 ARG A 123 3.287 -18.435 -6.261 1.00 0.00 N ATOM 0 H ARG A 123 1.067 -12.258 -8.653 1.00 0.00 H new ATOM 0 HA ARG A 123 -1.322 -13.683 -9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 123 0.423 -13.017 -6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.156 -13.716 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.618 -15.726 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.766 -15.006 -8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 123 1.781 -14.689 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 123 0.493 -15.719 -5.455 1.00 0.00 H new ATOM 0 HE ARG A 123 1.845 -16.984 -7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 123 2.162 -16.185 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 123 3.247 -17.538 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 123 3.238 -18.720 -7.239 1.00 0.00 H new ATOM 0 HH22 ARG A 123 3.854 -18.968 -5.602 1.00 0.00 H new ATOM 1948 N PHE A 124 -1.619 -10.824 -7.475 1.00 0.00 N ATOM 1949 CA PHE A 124 -2.579 -9.810 -7.051 1.00 0.00 C ATOM 1950 C PHE A 124 -3.591 -9.523 -8.156 1.00 0.00 C ATOM 1951 O PHE A 124 -4.784 -9.363 -7.895 1.00 0.00 O ATOM 1952 CB PHE A 124 -1.852 -8.522 -6.663 1.00 0.00 C ATOM 1953 CG PHE A 124 -2.777 -7.363 -6.413 1.00 0.00 C ATOM 1954 CD1 PHE A 124 -3.574 -7.330 -5.280 1.00 0.00 C ATOM 1955 CD2 PHE A 124 -2.848 -6.311 -7.310 1.00 0.00 C ATOM 1956 CE1 PHE A 124 -4.426 -6.266 -5.049 1.00 0.00 C ATOM 1957 CE2 PHE A 124 -3.698 -5.245 -7.084 1.00 0.00 C ATOM 1958 CZ PHE A 124 -4.487 -5.222 -5.950 1.00 0.00 C ATOM 0 H PHE A 124 -0.644 -10.581 -7.301 1.00 0.00 H new ATOM 0 HA PHE A 124 -3.115 -10.193 -6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -1.260 -8.704 -5.766 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -1.154 -8.255 -7.457 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -3.529 -8.143 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -2.232 -6.323 -8.197 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.044 -6.252 -4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -3.745 -4.431 -7.793 1.00 0.00 H new ATOM 0 HZ PHE A 124 -5.150 -4.389 -5.769 1.00 0.00 H new ATOM 1968 N LEU A 125 -3.108 -9.461 -9.392 1.00 0.00 N ATOM 1969 CA LEU A 125 -3.969 -9.193 -10.538 1.00 0.00 C ATOM 1970 C LEU A 125 -5.013 -10.293 -10.703 1.00 0.00 C ATOM 1971 O LEU A 125 -6.151 -10.031 -11.095 1.00 0.00 O ATOM 1972 CB LEU A 125 -3.132 -9.075 -11.813 1.00 0.00 C ATOM 1973 CG LEU A 125 -2.241 -7.836 -11.918 1.00 0.00 C ATOM 1974 CD1 LEU A 125 -1.236 -7.996 -13.048 1.00 0.00 C ATOM 1975 CD2 LEU A 125 -3.085 -6.587 -12.125 1.00 0.00 C ATOM 0 H LEU A 125 -2.124 -9.593 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.486 -8.250 -10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.501 -9.960 -11.893 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.807 -9.087 -12.669 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.692 -7.727 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.611 -7.105 -13.108 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -0.609 -8.867 -12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.767 -8.131 -13.991 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.434 -5.716 -12.197 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.662 -6.686 -13.044 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -3.764 -6.463 -11.282 1.00 0.00 H new ATOM 1987 N LYS A 126 -4.621 -11.525 -10.398 1.00 0.00 N ATOM 1988 CA LYS A 126 -5.523 -12.665 -10.508 1.00 0.00 C ATOM 1989 C LYS A 126 -6.136 -13.007 -9.155 1.00 0.00 C ATOM 1990 O LYS A 126 -6.703 -14.085 -8.973 1.00 0.00 O ATOM 1991 CB LYS A 126 -4.777 -13.880 -11.064 1.00 0.00 C ATOM 1992 CG LYS A 126 -4.279 -13.691 -12.486 1.00 0.00 C ATOM 1993 CD LYS A 126 -3.492 -14.898 -12.967 1.00 0.00 C ATOM 1994 CE LYS A 126 -4.400 -15.934 -13.613 1.00 0.00 C ATOM 1995 NZ LYS A 126 -5.033 -16.824 -12.601 1.00 0.00 N ATOM 0 H LYS A 126 -3.683 -11.760 -10.072 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.327 -12.395 -11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.928 -14.101 -10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -5.437 -14.747 -11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.127 -13.521 -13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.650 -12.802 -12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.735 -14.578 -13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.965 -15.349 -12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -5.176 -15.429 -14.188 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.823 -16.535 -14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.188 -17.765 -13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.409 -16.908 -11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -5.945 -16.421 -12.307 1.00 0.00 H new ATOM 2009 N SER A 127 -6.019 -12.082 -8.206 1.00 0.00 N ATOM 2010 CA SER A 127 -6.560 -12.287 -6.867 1.00 0.00 C ATOM 2011 C SER A 127 -7.918 -11.607 -6.721 1.00 0.00 C ATOM 2012 O SER A 127 -8.087 -10.446 -7.090 1.00 0.00 O ATOM 2013 CB SER A 127 -5.590 -11.746 -5.815 1.00 0.00 C ATOM 2014 OG SER A 127 -5.764 -10.352 -5.628 1.00 0.00 O ATOM 0 H SER A 127 -5.554 -11.184 -8.340 1.00 0.00 H new ATOM 0 HA SER A 127 -6.691 -13.358 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 127 -5.748 -12.265 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 127 -4.564 -11.949 -6.123 1.00 0.00 H new ATOM 0 HG SER A 127 -5.645 -9.890 -6.484 1.00 0.00 H new ATOM 2020 N ASP A 128 -8.884 -12.342 -6.179 1.00 0.00 N ATOM 2021 CA ASP A 128 -10.227 -11.812 -5.981 1.00 0.00 C ATOM 2022 C ASP A 128 -10.180 -10.459 -5.276 1.00 0.00 C ATOM 2023 O ASP A 128 -10.855 -9.513 -5.683 1.00 0.00 O ATOM 2024 CB ASP A 128 -11.073 -12.795 -5.169 1.00 0.00 C ATOM 2025 CG ASP A 128 -12.218 -12.114 -4.448 1.00 0.00 C ATOM 2026 OD1 ASP A 128 -13.035 -11.451 -5.122 1.00 0.00 O ATOM 2027 OD2 ASP A 128 -12.301 -12.245 -3.209 1.00 0.00 O ATOM 0 H ASP A 128 -8.761 -13.306 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.684 -11.675 -6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -11.471 -13.562 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -10.439 -13.301 -4.441 1.00 0.00 H new ATOM 2032 N ILE A 129 -9.381 -10.377 -4.219 1.00 0.00 N ATOM 2033 CA ILE A 129 -9.246 -9.141 -3.457 1.00 0.00 C ATOM 2034 C ILE A 129 -9.075 -7.941 -4.384 1.00 0.00 C ATOM 2035 O ILE A 129 -9.694 -6.897 -4.183 1.00 0.00 O ATOM 2036 CB ILE A 129 -8.049 -9.203 -2.490 1.00 0.00 C ATOM 2037 CG1 ILE A 129 -8.253 -10.320 -1.464 1.00 0.00 C ATOM 2038 CG2 ILE A 129 -7.861 -7.864 -1.794 1.00 0.00 C ATOM 2039 CD1 ILE A 129 -7.019 -10.615 -0.641 1.00 0.00 C ATOM 0 H ILE A 129 -8.817 -11.152 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 129 -10.163 -9.024 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.148 -9.422 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -9.069 -10.044 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -8.560 -11.228 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -7.011 -7.924 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -7.676 -7.090 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -8.761 -7.618 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.236 -11.417 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.207 -10.922 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.724 -9.720 -0.094 1.00 0.00 H new ATOM 2051 N TYR A 130 -8.233 -8.100 -5.399 1.00 0.00 N ATOM 2052 CA TYR A 130 -7.980 -7.030 -6.356 1.00 0.00 C ATOM 2053 C TYR A 130 -9.202 -6.787 -7.237 1.00 0.00 C ATOM 2054 O TYR A 130 -9.609 -5.645 -7.453 1.00 0.00 O ATOM 2055 CB TYR A 130 -6.770 -7.372 -7.227 1.00 0.00 C ATOM 2056 CG TYR A 130 -6.716 -6.591 -8.521 1.00 0.00 C ATOM 2057 CD1 TYR A 130 -6.833 -5.206 -8.525 1.00 0.00 C ATOM 2058 CD2 TYR A 130 -6.547 -7.237 -9.739 1.00 0.00 C ATOM 2059 CE1 TYR A 130 -6.784 -4.489 -9.704 1.00 0.00 C ATOM 2060 CE2 TYR A 130 -6.495 -6.528 -10.923 1.00 0.00 C ATOM 2061 CZ TYR A 130 -6.615 -5.154 -10.901 1.00 0.00 C ATOM 2062 OH TYR A 130 -6.565 -4.444 -12.078 1.00 0.00 O ATOM 0 H TYR A 130 -7.714 -8.959 -5.580 1.00 0.00 H new ATOM 0 HA TYR A 130 -7.771 -6.118 -5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -5.859 -7.182 -6.659 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -6.787 -8.438 -7.456 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.964 -4.682 -7.590 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -6.455 -8.313 -9.760 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.877 -3.413 -9.689 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -6.361 -7.046 -11.861 1.00 0.00 H new ATOM 0 HH TYR A 130 -6.441 -5.062 -12.828 1.00 0.00 H new ATOM 2072 N LEU A 131 -9.784 -7.869 -7.742 1.00 0.00 N ATOM 2073 CA LEU A 131 -10.961 -7.775 -8.599 1.00 0.00 C ATOM 2074 C LEU A 131 -12.146 -7.191 -7.836 1.00 0.00 C ATOM 2075 O LEU A 131 -13.045 -6.594 -8.427 1.00 0.00 O ATOM 2076 CB LEU A 131 -11.325 -9.155 -9.151 1.00 0.00 C ATOM 2077 CG LEU A 131 -10.195 -9.922 -9.838 1.00 0.00 C ATOM 2078 CD1 LEU A 131 -10.514 -11.408 -9.891 1.00 0.00 C ATOM 2079 CD2 LEU A 131 -9.954 -9.377 -11.238 1.00 0.00 C ATOM 0 H LEU A 131 -9.460 -8.821 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 131 -10.724 -7.109 -9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -11.704 -9.764 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.142 -9.036 -9.863 1.00 0.00 H new ATOM 0 HG LEU A 131 -9.284 -9.787 -9.255 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -9.699 -11.938 -10.383 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -10.636 -11.790 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -11.437 -11.562 -10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -9.146 -9.935 -11.712 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -10.863 -9.481 -11.830 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -9.680 -8.324 -11.176 1.00 0.00 H new ATOM 2091 N ASP A 132 -12.138 -7.368 -6.519 1.00 0.00 N ATOM 2092 CA ASP A 132 -13.211 -6.856 -5.673 1.00 0.00 C ATOM 2093 C ASP A 132 -13.108 -5.341 -5.523 1.00 0.00 C ATOM 2094 O ASP A 132 -14.015 -4.604 -5.912 1.00 0.00 O ATOM 2095 CB ASP A 132 -13.166 -7.522 -4.297 1.00 0.00 C ATOM 2096 CG ASP A 132 -14.445 -7.313 -3.511 1.00 0.00 C ATOM 2097 OD1 ASP A 132 -15.515 -7.743 -3.992 1.00 0.00 O ATOM 2098 OD2 ASP A 132 -14.377 -6.720 -2.413 1.00 0.00 O ATOM 0 H ASP A 132 -11.402 -7.861 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 132 -14.162 -7.092 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -12.989 -8.590 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -12.325 -7.122 -3.730 1.00 0.00 H new ATOM 2103 N LEU A 133 -11.999 -4.882 -4.954 1.00 0.00 N ATOM 2104 CA LEU A 133 -11.777 -3.454 -4.751 1.00 0.00 C ATOM 2105 C LEU A 133 -12.317 -2.647 -5.927 1.00 0.00 C ATOM 2106 O LEU A 133 -12.938 -1.601 -5.740 1.00 0.00 O ATOM 2107 CB LEU A 133 -10.285 -3.171 -4.564 1.00 0.00 C ATOM 2108 CG LEU A 133 -9.504 -2.826 -5.833 1.00 0.00 C ATOM 2109 CD1 LEU A 133 -9.738 -1.376 -6.226 1.00 0.00 C ATOM 2110 CD2 LEU A 133 -8.020 -3.094 -5.635 1.00 0.00 C ATOM 0 H LEU A 133 -11.239 -5.478 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 133 -12.313 -3.152 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -10.177 -2.346 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -9.824 -4.045 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.863 -3.462 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.174 -1.149 -7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.800 -1.216 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.407 -0.722 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.480 -2.843 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.647 -2.483 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.869 -4.148 -5.402 1.00 0.00 H new ATOM 2122 N MET A 134 -12.078 -3.141 -7.136 1.00 0.00 N ATOM 2123 CA MET A 134 -12.543 -2.467 -8.343 1.00 0.00 C ATOM 2124 C MET A 134 -13.951 -2.924 -8.713 1.00 0.00 C ATOM 2125 O MET A 134 -14.764 -2.134 -9.194 1.00 0.00 O ATOM 2126 CB MET A 134 -11.586 -2.736 -9.506 1.00 0.00 C ATOM 2127 CG MET A 134 -11.410 -4.212 -9.819 1.00 0.00 C ATOM 2128 SD MET A 134 -11.064 -4.516 -11.562 1.00 0.00 S ATOM 2129 CE MET A 134 -9.661 -3.433 -11.822 1.00 0.00 C ATOM 0 H MET A 134 -11.565 -4.006 -7.307 1.00 0.00 H new ATOM 0 HA MET A 134 -12.568 -1.396 -8.143 1.00 0.00 H new ATOM 0 HB2 MET A 134 -11.956 -2.226 -10.395 1.00 0.00 H new ATOM 0 HB3 MET A 134 -10.613 -2.304 -9.272 1.00 0.00 H new ATOM 0 HG2 MET A 134 -10.595 -4.613 -9.216 1.00 0.00 H new ATOM 0 HG3 MET A 134 -12.313 -4.750 -9.533 1.00 0.00 H new ATOM 0 HE1 MET A 134 -8.990 -3.877 -12.558 1.00 0.00 H new ATOM 0 HE2 MET A 134 -10.010 -2.466 -12.185 1.00 0.00 H new ATOM 0 HE3 MET A 134 -9.128 -3.296 -10.881 1.00 0.00 H new ATOM 2139 N SER A 135 -14.232 -4.203 -8.485 1.00 0.00 N ATOM 2140 CA SER A 135 -15.540 -4.766 -8.798 1.00 0.00 C ATOM 2141 C SER A 135 -15.932 -4.460 -10.240 1.00 0.00 C ATOM 2142 O SER A 135 -17.070 -4.086 -10.520 1.00 0.00 O ATOM 2143 CB SER A 135 -16.599 -4.212 -7.842 1.00 0.00 C ATOM 2144 OG SER A 135 -17.766 -5.015 -7.854 1.00 0.00 O ATOM 0 H SER A 135 -13.571 -4.869 -8.085 1.00 0.00 H new ATOM 0 HA SER A 135 -15.481 -5.848 -8.677 1.00 0.00 H new ATOM 0 HB2 SER A 135 -16.194 -4.169 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 135 -16.853 -3.191 -8.128 1.00 0.00 H new ATOM 0 HG SER A 135 -18.093 -5.103 -8.774 1.00 0.00 H new ATOM 2150 N GLY A 136 -14.978 -4.622 -11.153 1.00 0.00 N ATOM 2151 CA GLY A 136 -15.242 -4.360 -12.556 1.00 0.00 C ATOM 2152 C GLY A 136 -16.247 -5.327 -13.148 1.00 0.00 C ATOM 2153 O GLY A 136 -16.320 -6.494 -12.762 1.00 0.00 O ATOM 0 H GLY A 136 -14.028 -4.930 -10.946 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -15.613 -3.341 -12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -14.309 -4.423 -13.116 1.00 0.00 H new ATOM 2157 N PRO A 137 -17.048 -4.842 -14.108 1.00 0.00 N ATOM 2158 CA PRO A 137 -18.069 -5.656 -14.774 1.00 0.00 C ATOM 2159 C PRO A 137 -17.461 -6.718 -15.683 1.00 0.00 C ATOM 2160 O PRO A 137 -17.795 -7.899 -15.582 1.00 0.00 O ATOM 2161 CB PRO A 137 -18.854 -4.633 -15.600 1.00 0.00 C ATOM 2162 CG PRO A 137 -17.893 -3.520 -15.839 1.00 0.00 C ATOM 2163 CD PRO A 137 -17.017 -3.460 -14.619 1.00 0.00 C ATOM 0 HA PRO A 137 -18.680 -6.208 -14.060 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -19.201 -5.065 -16.539 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -19.737 -4.285 -15.064 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -17.301 -3.702 -16.736 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -18.418 -2.577 -15.989 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -16.003 -3.146 -14.867 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -17.399 -2.751 -13.884 1.00 0.00 H new ATOM 2171 N SER A 138 -16.567 -6.293 -16.569 1.00 0.00 N ATOM 2172 CA SER A 138 -15.915 -7.209 -17.497 1.00 0.00 C ATOM 2173 C SER A 138 -14.990 -8.168 -16.755 1.00 0.00 C ATOM 2174 O SER A 138 -14.958 -9.365 -17.042 1.00 0.00 O ATOM 2175 CB SER A 138 -15.121 -6.427 -18.545 1.00 0.00 C ATOM 2176 OG SER A 138 -14.259 -5.483 -17.933 1.00 0.00 O ATOM 0 H SER A 138 -16.277 -5.320 -16.664 1.00 0.00 H new ATOM 0 HA SER A 138 -16.689 -7.792 -17.997 1.00 0.00 H new ATOM 0 HB2 SER A 138 -14.536 -7.118 -19.152 1.00 0.00 H new ATOM 0 HB3 SER A 138 -15.808 -5.914 -19.218 1.00 0.00 H new ATOM 0 HG SER A 138 -13.762 -4.998 -18.624 1.00 0.00 H new ATOM 2182 N SER A 139 -14.238 -7.634 -15.798 1.00 0.00 N ATOM 2183 CA SER A 139 -13.309 -8.441 -15.015 1.00 0.00 C ATOM 2184 C SER A 139 -13.970 -9.736 -14.552 1.00 0.00 C ATOM 2185 O SER A 139 -13.371 -10.808 -14.612 1.00 0.00 O ATOM 2186 CB SER A 139 -12.808 -7.650 -13.804 1.00 0.00 C ATOM 2187 OG SER A 139 -11.676 -6.867 -14.141 1.00 0.00 O ATOM 0 H SER A 139 -14.254 -6.646 -15.546 1.00 0.00 H new ATOM 0 HA SER A 139 -12.461 -8.694 -15.652 1.00 0.00 H new ATOM 0 HB2 SER A 139 -13.604 -7.004 -13.433 1.00 0.00 H new ATOM 0 HB3 SER A 139 -12.552 -8.337 -12.997 1.00 0.00 H new ATOM 0 HG SER A 139 -11.506 -6.215 -13.430 1.00 0.00 H new ATOM 2193 N GLY A 140 -15.212 -9.626 -14.090 1.00 0.00 N ATOM 2194 CA GLY A 140 -15.936 -10.795 -13.623 1.00 0.00 C ATOM 2195 C GLY A 140 -16.003 -11.890 -14.668 1.00 0.00 C ATOM 2196 O GLY A 140 -15.341 -11.811 -15.703 1.00 0.00 O ATOM 0 H GLY A 140 -15.730 -8.749 -14.031 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -15.454 -11.183 -12.725 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -16.948 -10.503 -13.341 1.00 0.00 H new TER 2200 GLY A 140