USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 914 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 39 TYR OH : rot 180:sc= -0.535 USER MOD Set 1.2: A 105 SER OG : rot 142:sc= 0.437 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00414) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= 0.00225 K(o=0.0023,f=-3.6!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= 0.601 (180deg=-1.51!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -2.78! C(o=-4.4!,f=-2.8!) USER MOD Single : A 27 GLN : amide:sc= -0.878 X(o=-0.88,f=-0.5) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -1:sc= 0.286 USER MOD Single : A 37 THR OG1 : rot 160:sc= 0.844 USER MOD Single : A 38 SER OG : rot 180:sc= -0.115 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.236 F(o=-1.6,f=-0.24) USER MOD Single : A 50 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= 1.19 (180deg=0.994) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 0.579 (180deg=0.576) USER MOD Single : A 59 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.013) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 71 ASN : amide:sc= -0.894 X(o=-0.89,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.8) USER MOD Single : A 74 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 78 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 155:sc= -1.35 (180deg=-2.73!) USER MOD Single : A 85 ASN : amide:sc= -0.769 X(o=-0.77,f=-0.88) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.758 F(o=-1.5,f=-0.76) USER MOD Single : A 87 ASN :FLIP amide:sc= -0.413 F(o=-3.7!,f=-0.41) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -160:sc= -0.0856 (180deg=-0.515) USER MOD Single : A 96 GLN : amide:sc= -0.715 X(o=-0.72,f=-0.41) USER MOD Single : A 98 LYS NZ :NH3+ -135:sc= -0.0586 (180deg=-0.0815) USER MOD Single : A 107 SER OG : rot -58:sc= 0.985 USER MOD Single : A 108 ASN : amide:sc= -0.0492 K(o=-0.049,f=-3.6!) USER MOD Single : A 111 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.7!) USER MOD Single : A 112 HIS : no HD1:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 113 HIS :FLIP no HD1:sc= -0.0167 F(o=-0.52,f=-0.017) USER MOD Single : A 114 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.12) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.002 -31.618 -11.883 1.00 20.14 N ATOM 2 CA MET A 1 5.572 -30.960 -13.150 1.00 34.52 C ATOM 3 C MET A 1 4.060 -30.686 -13.159 1.00 71.33 C ATOM 4 O MET A 1 3.634 -29.535 -13.238 1.00 22.14 O ATOM 5 CB MET A 1 5.950 -31.823 -14.363 1.00 11.42 C ATOM 6 CG MET A 1 7.449 -31.966 -14.566 1.00 42.13 C ATOM 7 SD MET A 1 8.278 -30.369 -14.692 1.00 73.44 S ATOM 8 CE MET A 1 9.965 -30.884 -15.015 1.00 15.01 C ATOM 0 H1 MET A 1 7.030 -31.773 -11.904 1.00 20.14 H new ATOM 0 H2 MET A 1 5.760 -31.009 -11.076 1.00 20.14 H new ATOM 0 H3 MET A 1 5.516 -32.532 -11.784 1.00 20.14 H new ATOM 0 HA MET A 1 6.093 -30.004 -13.213 1.00 34.52 H new ATOM 0 HB2 MET A 1 5.512 -32.814 -14.244 1.00 11.42 H new ATOM 0 HB3 MET A 1 5.511 -31.386 -15.260 1.00 11.42 H new ATOM 0 HG2 MET A 1 7.874 -32.529 -13.735 1.00 42.13 H new ATOM 0 HG3 MET A 1 7.637 -32.543 -15.471 1.00 42.13 H new ATOM 0 HE1 MET A 1 10.601 -30.004 -15.118 1.00 15.01 H new ATOM 0 HE2 MET A 1 10.323 -31.496 -14.187 1.00 15.01 H new ATOM 0 HE3 MET A 1 9.998 -31.465 -15.937 1.00 15.01 H new ATOM 20 N ALA A 2 3.255 -31.748 -13.087 1.00 34.02 N ATOM 21 CA ALA A 2 1.792 -31.617 -13.081 1.00 42.15 C ATOM 22 C ALA A 2 1.278 -31.039 -11.754 1.00 44.32 C ATOM 23 O ALA A 2 0.561 -30.038 -11.738 1.00 22.35 O ATOM 24 CB ALA A 2 1.142 -32.968 -13.361 1.00 21.23 C ATOM 0 H ALA A 2 3.589 -32.710 -13.032 1.00 34.02 H new ATOM 0 HA ALA A 2 1.517 -30.918 -13.871 1.00 42.15 H new ATOM 0 HB1 ALA A 2 0.058 -32.858 -13.354 1.00 21.23 H new ATOM 0 HB2 ALA A 2 1.464 -33.331 -14.337 1.00 21.23 H new ATOM 0 HB3 ALA A 2 1.440 -33.681 -12.592 1.00 21.23 H new ATOM 30 N ALA A 3 1.635 -31.681 -10.641 1.00 35.10 N ATOM 31 CA ALA A 3 1.257 -31.186 -9.313 1.00 24.54 C ATOM 32 C ALA A 3 2.278 -30.167 -8.790 1.00 3.35 C ATOM 33 O ALA A 3 3.390 -30.530 -8.405 1.00 53.01 O ATOM 34 CB ALA A 3 1.109 -32.345 -8.333 1.00 22.20 C ATOM 0 H ALA A 3 2.183 -32.541 -10.630 1.00 35.10 H new ATOM 0 HA ALA A 3 0.295 -30.681 -9.404 1.00 24.54 H new ATOM 0 HB1 ALA A 3 0.828 -31.959 -7.353 1.00 22.20 H new ATOM 0 HB2 ALA A 3 0.337 -33.027 -8.690 1.00 22.20 H new ATOM 0 HB3 ALA A 3 2.056 -32.879 -8.255 1.00 22.20 H new ATOM 40 N SER A 4 1.901 -28.893 -8.786 1.00 40.31 N ATOM 41 CA SER A 4 2.799 -27.820 -8.339 1.00 54.11 C ATOM 42 C SER A 4 2.146 -26.986 -7.232 1.00 11.13 C ATOM 43 O SER A 4 1.002 -26.548 -7.370 1.00 44.25 O ATOM 44 CB SER A 4 3.176 -26.910 -9.520 1.00 35.21 C ATOM 45 OG SER A 4 3.833 -27.636 -10.552 1.00 21.13 O ATOM 0 H SER A 4 0.981 -28.572 -9.086 1.00 40.31 H new ATOM 0 HA SER A 4 3.702 -28.282 -7.940 1.00 54.11 H new ATOM 0 HB2 SER A 4 2.277 -26.441 -9.920 1.00 35.21 H new ATOM 0 HB3 SER A 4 3.825 -26.108 -9.169 1.00 35.21 H new ATOM 0 HG SER A 4 4.057 -27.029 -11.288 1.00 21.13 H new ATOM 51 N THR A 5 2.871 -26.776 -6.132 1.00 1.21 N ATOM 52 CA THR A 5 2.377 -25.959 -5.015 1.00 30.24 C ATOM 53 C THR A 5 2.098 -24.518 -5.461 1.00 10.23 C ATOM 54 O THR A 5 3.017 -23.767 -5.789 1.00 0.03 O ATOM 55 CB THR A 5 3.387 -25.933 -3.836 1.00 54.12 C ATOM 56 OG1 THR A 5 3.582 -27.260 -3.325 1.00 62.35 O ATOM 57 CG2 THR A 5 2.903 -25.021 -2.709 1.00 24.10 C ATOM 0 H THR A 5 3.805 -27.160 -5.988 1.00 1.21 H new ATOM 0 HA THR A 5 1.449 -26.421 -4.679 1.00 30.24 H new ATOM 0 HB THR A 5 4.331 -25.542 -4.215 1.00 54.12 H new ATOM 0 HG1 THR A 5 4.222 -27.234 -2.583 1.00 62.35 H new ATOM 0 HG21 THR A 5 3.632 -25.025 -1.899 1.00 24.10 H new ATOM 0 HG22 THR A 5 2.786 -24.005 -3.087 1.00 24.10 H new ATOM 0 HG23 THR A 5 1.944 -25.381 -2.336 1.00 24.10 H new ATOM 65 N VAL A 6 0.824 -24.140 -5.486 1.00 42.14 N ATOM 66 CA VAL A 6 0.433 -22.780 -5.865 1.00 14.44 C ATOM 67 C VAL A 6 0.809 -21.759 -4.769 1.00 11.41 C ATOM 68 O VAL A 6 0.065 -21.535 -3.813 1.00 61.22 O ATOM 69 CB VAL A 6 -1.084 -22.698 -6.194 1.00 40.43 C ATOM 70 CG1 VAL A 6 -1.940 -23.224 -5.040 1.00 63.23 C ATOM 71 CG2 VAL A 6 -1.484 -21.268 -6.568 1.00 71.32 C ATOM 0 H VAL A 6 0.043 -24.752 -5.249 1.00 42.14 H new ATOM 0 HA VAL A 6 0.988 -22.524 -6.767 1.00 14.44 H new ATOM 0 HB VAL A 6 -1.269 -23.340 -7.056 1.00 40.43 H new ATOM 0 HG11 VAL A 6 -2.994 -23.151 -5.306 1.00 63.23 H new ATOM 0 HG12 VAL A 6 -1.687 -24.266 -4.844 1.00 63.23 H new ATOM 0 HG13 VAL A 6 -1.750 -22.630 -4.146 1.00 63.23 H new ATOM 0 HG21 VAL A 6 -2.550 -21.236 -6.794 1.00 71.32 H new ATOM 0 HG22 VAL A 6 -1.270 -20.600 -5.734 1.00 71.32 H new ATOM 0 HG23 VAL A 6 -0.918 -20.949 -7.443 1.00 71.32 H new ATOM 81 N HIS A 7 1.994 -21.161 -4.899 1.00 15.31 N ATOM 82 CA HIS A 7 2.468 -20.161 -3.932 1.00 31.32 C ATOM 83 C HIS A 7 2.702 -18.793 -4.597 1.00 45.02 C ATOM 84 O HIS A 7 3.815 -18.463 -5.006 1.00 51.32 O ATOM 85 CB HIS A 7 3.741 -20.653 -3.217 1.00 51.24 C ATOM 86 CG HIS A 7 4.801 -21.198 -4.131 1.00 50.32 C ATOM 87 ND1 HIS A 7 5.534 -20.411 -4.994 1.00 54.15 N ATOM 88 CD2 HIS A 7 5.252 -22.463 -4.313 1.00 33.31 C ATOM 89 CE1 HIS A 7 6.385 -21.162 -5.662 1.00 1.20 C ATOM 90 NE2 HIS A 7 6.234 -22.409 -5.267 1.00 42.24 N ATOM 0 H HIS A 7 2.645 -21.349 -5.662 1.00 15.31 H new ATOM 0 HA HIS A 7 1.685 -20.029 -3.185 1.00 31.32 H new ATOM 0 HB2 HIS A 7 4.163 -19.827 -2.645 1.00 51.24 H new ATOM 0 HB3 HIS A 7 3.464 -21.427 -2.501 1.00 51.24 H new ATOM 0 HD1 HIS A 7 5.433 -19.401 -5.099 1.00 54.15 H new ATOM 0 HD2 HIS A 7 4.903 -23.348 -3.802 1.00 33.31 H new ATOM 0 HE1 HIS A 7 7.086 -20.815 -6.406 1.00 1.20 H new ATOM 99 N THR A 8 1.633 -18.016 -4.722 1.00 30.42 N ATOM 100 CA THR A 8 1.712 -16.670 -5.302 1.00 3.04 C ATOM 101 C THR A 8 1.862 -15.612 -4.202 1.00 51.20 C ATOM 102 O THR A 8 0.905 -15.303 -3.491 1.00 32.55 O ATOM 103 CB THR A 8 0.454 -16.341 -6.147 1.00 11.41 C ATOM 104 OG1 THR A 8 0.242 -17.361 -7.133 1.00 21.32 O ATOM 105 CG2 THR A 8 0.588 -14.987 -6.841 1.00 75.04 C ATOM 0 H THR A 8 0.695 -18.291 -4.430 1.00 30.42 H new ATOM 0 HA THR A 8 2.588 -16.653 -5.950 1.00 3.04 H new ATOM 0 HB THR A 8 -0.399 -16.299 -5.469 1.00 11.41 H new ATOM 0 HG1 THR A 8 -0.555 -17.145 -7.660 1.00 21.32 H new ATOM 0 HG21 THR A 8 -0.310 -14.787 -7.425 1.00 75.04 H new ATOM 0 HG22 THR A 8 0.716 -14.205 -6.092 1.00 75.04 H new ATOM 0 HG23 THR A 8 1.455 -15.001 -7.502 1.00 75.04 H new ATOM 113 N SER A 9 3.072 -15.086 -4.038 1.00 23.33 N ATOM 114 CA SER A 9 3.335 -14.052 -3.027 1.00 11.04 C ATOM 115 C SER A 9 2.862 -12.670 -3.510 1.00 32.24 C ATOM 116 O SER A 9 2.738 -12.431 -4.711 1.00 4.41 O ATOM 117 CB SER A 9 4.831 -14.015 -2.677 1.00 1.22 C ATOM 118 OG SER A 9 5.257 -15.251 -2.115 1.00 71.31 O ATOM 0 H SER A 9 3.888 -15.354 -4.588 1.00 23.33 H new ATOM 0 HA SER A 9 2.770 -14.306 -2.130 1.00 11.04 H new ATOM 0 HB2 SER A 9 5.412 -13.800 -3.574 1.00 1.22 H new ATOM 0 HB3 SER A 9 5.023 -13.206 -1.972 1.00 1.22 H new ATOM 0 HG SER A 9 6.212 -15.202 -1.903 1.00 71.31 H new ATOM 124 N PHE A 10 2.603 -11.759 -2.572 1.00 73.33 N ATOM 125 CA PHE A 10 2.035 -10.442 -2.903 1.00 72.14 C ATOM 126 C PHE A 10 2.959 -9.297 -2.463 1.00 12.35 C ATOM 127 O PHE A 10 3.385 -9.235 -1.308 1.00 73.12 O ATOM 128 CB PHE A 10 0.654 -10.282 -2.247 1.00 4.32 C ATOM 129 CG PHE A 10 -0.361 -11.299 -2.714 1.00 41.54 C ATOM 130 CD1 PHE A 10 -1.093 -11.086 -3.876 1.00 71.34 C ATOM 131 CD2 PHE A 10 -0.583 -12.465 -1.992 1.00 55.21 C ATOM 132 CE1 PHE A 10 -2.024 -12.014 -4.305 1.00 42.45 C ATOM 133 CE2 PHE A 10 -1.511 -13.395 -2.418 1.00 3.01 C ATOM 134 CZ PHE A 10 -2.233 -13.170 -3.575 1.00 3.31 C ATOM 0 H PHE A 10 2.775 -11.904 -1.577 1.00 73.33 H new ATOM 0 HA PHE A 10 1.932 -10.390 -3.987 1.00 72.14 H new ATOM 0 HB2 PHE A 10 0.764 -10.361 -1.165 1.00 4.32 H new ATOM 0 HB3 PHE A 10 0.276 -9.281 -2.456 1.00 4.32 H new ATOM 0 HD1 PHE A 10 -0.933 -10.186 -4.450 1.00 71.34 H new ATOM 0 HD2 PHE A 10 -0.023 -12.646 -1.086 1.00 55.21 H new ATOM 0 HE1 PHE A 10 -2.587 -11.836 -5.209 1.00 42.45 H new ATOM 0 HE2 PHE A 10 -1.672 -14.298 -1.847 1.00 3.01 H new ATOM 0 HZ PHE A 10 -2.960 -13.896 -3.909 1.00 3.31 H new ATOM 144 N ILE A 11 3.265 -8.392 -3.388 1.00 41.23 N ATOM 145 CA ILE A 11 4.135 -7.246 -3.101 1.00 53.22 C ATOM 146 C ILE A 11 3.325 -5.941 -3.042 1.00 70.03 C ATOM 147 O ILE A 11 2.364 -5.767 -3.788 1.00 60.54 O ATOM 148 CB ILE A 11 5.244 -7.103 -4.178 1.00 1.30 C ATOM 149 CG1 ILE A 11 5.984 -8.439 -4.373 1.00 20.34 C ATOM 150 CG2 ILE A 11 6.224 -5.987 -3.803 1.00 62.21 C ATOM 151 CD1 ILE A 11 7.144 -8.363 -5.350 1.00 62.21 C ATOM 0 H ILE A 11 2.924 -8.427 -4.349 1.00 41.23 H new ATOM 0 HA ILE A 11 4.597 -7.428 -2.131 1.00 53.22 H new ATOM 0 HB ILE A 11 4.772 -6.834 -5.123 1.00 1.30 H new ATOM 0 HG12 ILE A 11 6.357 -8.781 -3.407 1.00 20.34 H new ATOM 0 HG13 ILE A 11 5.274 -9.188 -4.724 1.00 20.34 H new ATOM 0 HG21 ILE A 11 6.993 -5.904 -4.571 1.00 62.21 H new ATOM 0 HG22 ILE A 11 5.686 -5.042 -3.724 1.00 62.21 H new ATOM 0 HG23 ILE A 11 6.691 -6.219 -2.846 1.00 62.21 H new ATOM 0 HD11 ILE A 11 7.614 -9.343 -5.433 1.00 62.21 H new ATOM 0 HD12 ILE A 11 6.776 -8.053 -6.328 1.00 62.21 H new ATOM 0 HD13 ILE A 11 7.875 -7.639 -4.991 1.00 62.21 H new ATOM 163 N LEU A 12 3.706 -5.030 -2.150 1.00 63.13 N ATOM 164 CA LEU A 12 3.018 -3.737 -2.035 1.00 11.34 C ATOM 165 C LEU A 12 3.868 -2.594 -2.616 1.00 64.20 C ATOM 166 O LEU A 12 5.038 -2.433 -2.261 1.00 31.11 O ATOM 167 CB LEU A 12 2.687 -3.435 -0.566 1.00 44.33 C ATOM 168 CG LEU A 12 1.859 -2.157 -0.329 1.00 21.21 C ATOM 169 CD1 LEU A 12 0.450 -2.304 -0.895 1.00 12.40 C ATOM 170 CD2 LEU A 12 1.807 -1.807 1.155 1.00 22.44 C ATOM 0 H LEU A 12 4.481 -5.157 -1.499 1.00 63.13 H new ATOM 0 HA LEU A 12 2.094 -3.805 -2.609 1.00 11.34 H new ATOM 0 HB2 LEU A 12 2.143 -4.283 -0.151 1.00 44.33 H new ATOM 0 HB3 LEU A 12 3.621 -3.352 -0.010 1.00 44.33 H new ATOM 0 HG LEU A 12 2.353 -1.340 -0.855 1.00 21.21 H new ATOM 0 HD11 LEU A 12 -0.112 -1.388 -0.714 1.00 12.40 H new ATOM 0 HD12 LEU A 12 0.506 -2.489 -1.968 1.00 12.40 H new ATOM 0 HD13 LEU A 12 -0.052 -3.140 -0.408 1.00 12.40 H new ATOM 0 HD21 LEU A 12 1.217 -0.901 1.295 1.00 22.44 H new ATOM 0 HD22 LEU A 12 1.348 -2.628 1.707 1.00 22.44 H new ATOM 0 HD23 LEU A 12 2.819 -1.642 1.525 1.00 22.44 H new ATOM 182 N LYS A 13 3.277 -1.812 -3.515 1.00 21.44 N ATOM 183 CA LYS A 13 3.929 -0.616 -4.059 1.00 65.53 C ATOM 184 C LYS A 13 3.196 0.662 -3.622 1.00 0.14 C ATOM 185 O LYS A 13 1.965 0.694 -3.562 1.00 24.12 O ATOM 186 CB LYS A 13 3.989 -0.659 -5.595 1.00 70.24 C ATOM 187 CG LYS A 13 4.761 -1.844 -6.169 1.00 50.13 C ATOM 188 CD LYS A 13 5.071 -1.647 -7.657 1.00 24.11 C ATOM 189 CE LYS A 13 3.825 -1.292 -8.468 1.00 11.21 C ATOM 190 NZ LYS A 13 2.811 -2.374 -8.447 1.00 2.32 N ATOM 0 H LYS A 13 2.343 -1.983 -3.886 1.00 21.44 H new ATOM 0 HA LYS A 13 4.945 -0.603 -3.664 1.00 65.53 H new ATOM 0 HB2 LYS A 13 2.971 -0.683 -5.985 1.00 70.24 H new ATOM 0 HB3 LYS A 13 4.446 0.263 -5.953 1.00 70.24 H new ATOM 0 HG2 LYS A 13 5.692 -1.975 -5.617 1.00 50.13 H new ATOM 0 HG3 LYS A 13 4.180 -2.757 -6.035 1.00 50.13 H new ATOM 0 HD2 LYS A 13 5.812 -0.856 -7.770 1.00 24.11 H new ATOM 0 HD3 LYS A 13 5.514 -2.559 -8.057 1.00 24.11 H new ATOM 0 HE2 LYS A 13 3.385 -0.377 -8.071 1.00 11.21 H new ATOM 0 HE3 LYS A 13 4.112 -1.086 -9.499 1.00 11.21 H new ATOM 0 HZ1 LYS A 13 1.860 -1.960 -8.518 1.00 2.32 H new ATOM 0 HZ2 LYS A 13 2.970 -3.015 -9.251 1.00 2.32 H new ATOM 0 HZ3 LYS A 13 2.891 -2.908 -7.558 1.00 2.32 H new ATOM 204 N VAL A 14 3.955 1.717 -3.335 1.00 71.30 N ATOM 205 CA VAL A 14 3.378 3.006 -2.934 1.00 3.10 C ATOM 206 C VAL A 14 3.937 4.161 -3.781 1.00 3.14 C ATOM 207 O VAL A 14 5.138 4.428 -3.772 1.00 43.21 O ATOM 208 CB VAL A 14 3.641 3.297 -1.433 1.00 13.54 C ATOM 209 CG1 VAL A 14 3.144 4.689 -1.049 1.00 75.55 C ATOM 210 CG2 VAL A 14 2.995 2.227 -0.550 1.00 53.53 C ATOM 0 H VAL A 14 4.974 1.708 -3.372 1.00 71.30 H new ATOM 0 HA VAL A 14 2.303 2.935 -3.101 1.00 3.10 H new ATOM 0 HB VAL A 14 4.718 3.268 -1.270 1.00 13.54 H new ATOM 0 HG11 VAL A 14 3.341 4.867 0.008 1.00 75.55 H new ATOM 0 HG12 VAL A 14 3.664 5.438 -1.646 1.00 75.55 H new ATOM 0 HG13 VAL A 14 2.072 4.757 -1.235 1.00 75.55 H new ATOM 0 HG21 VAL A 14 3.193 2.452 0.498 1.00 53.53 H new ATOM 0 HG22 VAL A 14 1.919 2.215 -0.722 1.00 53.53 H new ATOM 0 HG23 VAL A 14 3.413 1.251 -0.797 1.00 53.53 H new ATOM 220 N LEU A 15 3.058 4.847 -4.504 1.00 12.33 N ATOM 221 CA LEU A 15 3.450 6.000 -5.319 1.00 14.34 C ATOM 222 C LEU A 15 3.550 7.246 -4.423 1.00 40.30 C ATOM 223 O LEU A 15 2.539 7.746 -3.925 1.00 64.03 O ATOM 224 CB LEU A 15 2.424 6.222 -6.449 1.00 51.04 C ATOM 225 CG LEU A 15 2.980 6.813 -7.762 1.00 60.32 C ATOM 226 CD1 LEU A 15 1.869 6.963 -8.797 1.00 74.41 C ATOM 227 CD2 LEU A 15 3.669 8.155 -7.530 1.00 41.12 C ATOM 0 H LEU A 15 2.063 4.626 -4.544 1.00 12.33 H new ATOM 0 HA LEU A 15 4.423 5.813 -5.774 1.00 14.34 H new ATOM 0 HB2 LEU A 15 1.951 5.267 -6.676 1.00 51.04 H new ATOM 0 HB3 LEU A 15 1.642 6.885 -6.078 1.00 51.04 H new ATOM 0 HG LEU A 15 3.727 6.116 -8.142 1.00 60.32 H new ATOM 0 HD11 LEU A 15 2.281 7.381 -9.715 1.00 74.41 H new ATOM 0 HD12 LEU A 15 1.433 5.986 -9.007 1.00 74.41 H new ATOM 0 HD13 LEU A 15 1.098 7.629 -8.409 1.00 74.41 H new ATOM 0 HD21 LEU A 15 4.047 8.539 -8.478 1.00 41.12 H new ATOM 0 HD22 LEU A 15 2.954 8.863 -7.111 1.00 41.12 H new ATOM 0 HD23 LEU A 15 4.499 8.023 -6.835 1.00 41.12 H new ATOM 239 N TRP A 16 4.771 7.729 -4.220 1.00 41.45 N ATOM 240 CA TRP A 16 5.029 8.826 -3.278 1.00 32.51 C ATOM 241 C TRP A 16 5.170 10.174 -4.010 1.00 32.43 C ATOM 242 O TRP A 16 6.180 10.435 -4.671 1.00 22.13 O ATOM 243 CB TRP A 16 6.301 8.515 -2.472 1.00 72.21 C ATOM 244 CG TRP A 16 6.478 9.361 -1.242 1.00 21.11 C ATOM 245 CD1 TRP A 16 7.170 10.534 -1.139 1.00 21.11 C ATOM 246 CD2 TRP A 16 5.959 9.084 0.065 1.00 31.25 C ATOM 247 NE1 TRP A 16 7.111 11.003 0.153 1.00 4.32 N ATOM 248 CE2 TRP A 16 6.374 10.130 0.910 1.00 24.22 C ATOM 249 CE3 TRP A 16 5.182 8.053 0.601 1.00 33.14 C ATOM 250 CZ2 TRP A 16 6.039 10.175 2.263 1.00 51.13 C ATOM 251 CZ3 TRP A 16 4.851 8.096 1.944 1.00 11.21 C ATOM 252 CH2 TRP A 16 5.278 9.151 2.762 1.00 64.11 C ATOM 0 H TRP A 16 5.604 7.380 -4.694 1.00 41.45 H new ATOM 0 HA TRP A 16 4.179 8.911 -2.601 1.00 32.51 H new ATOM 0 HB2 TRP A 16 6.282 7.466 -2.177 1.00 72.21 H new ATOM 0 HB3 TRP A 16 7.168 8.649 -3.119 1.00 72.21 H new ATOM 0 HD1 TRP A 16 7.687 11.022 -1.952 1.00 21.11 H new ATOM 0 HE1 TRP A 16 7.545 11.861 0.492 1.00 4.32 H new ATOM 0 HE3 TRP A 16 4.846 7.237 -0.022 1.00 33.14 H new ATOM 0 HZ2 TRP A 16 6.367 10.987 2.894 1.00 51.13 H new ATOM 0 HZ3 TRP A 16 4.253 7.303 2.369 1.00 11.21 H new ATOM 0 HH2 TRP A 16 5.002 9.157 3.806 1.00 64.11 H new ATOM 263 N LEU A 17 4.151 11.024 -3.891 1.00 72.44 N ATOM 264 CA LEU A 17 4.151 12.347 -4.532 1.00 25.41 C ATOM 265 C LEU A 17 4.339 13.470 -3.498 1.00 21.31 C ATOM 266 O LEU A 17 4.581 13.209 -2.319 1.00 54.52 O ATOM 267 CB LEU A 17 2.838 12.550 -5.305 1.00 4.55 C ATOM 268 CG LEU A 17 2.614 11.575 -6.473 1.00 13.23 C ATOM 269 CD1 LEU A 17 1.217 11.744 -7.062 1.00 73.02 C ATOM 270 CD2 LEU A 17 3.681 11.769 -7.551 1.00 12.45 C ATOM 0 H LEU A 17 3.308 10.822 -3.354 1.00 72.44 H new ATOM 0 HA LEU A 17 4.990 12.390 -5.226 1.00 25.41 H new ATOM 0 HB2 LEU A 17 2.005 12.456 -4.608 1.00 4.55 H new ATOM 0 HB3 LEU A 17 2.816 13.569 -5.692 1.00 4.55 H new ATOM 0 HG LEU A 17 2.698 10.559 -6.087 1.00 13.23 H new ATOM 0 HD11 LEU A 17 1.083 11.044 -7.886 1.00 73.02 H new ATOM 0 HD12 LEU A 17 0.471 11.546 -6.292 1.00 73.02 H new ATOM 0 HD13 LEU A 17 1.098 12.763 -7.429 1.00 73.02 H new ATOM 0 HD21 LEU A 17 3.504 11.070 -8.368 1.00 12.45 H new ATOM 0 HD22 LEU A 17 3.634 12.790 -7.930 1.00 12.45 H new ATOM 0 HD23 LEU A 17 4.667 11.586 -7.124 1.00 12.45 H new ATOM 282 N ASP A 18 4.227 14.722 -3.949 1.00 24.41 N ATOM 283 CA ASP A 18 4.407 15.891 -3.075 1.00 52.41 C ATOM 284 C ASP A 18 3.434 15.865 -1.881 1.00 5.32 C ATOM 285 O ASP A 18 3.847 15.795 -0.721 1.00 55.11 O ATOM 286 CB ASP A 18 4.193 17.178 -3.879 1.00 42.44 C ATOM 287 CG ASP A 18 4.957 17.175 -5.187 1.00 41.24 C ATOM 288 OD1 ASP A 18 4.448 16.586 -6.164 1.00 15.31 O ATOM 289 OD2 ASP A 18 6.063 17.748 -5.245 1.00 34.30 O ATOM 0 H ASP A 18 4.012 14.956 -4.918 1.00 24.41 H new ATOM 0 HA ASP A 18 5.424 15.859 -2.684 1.00 52.41 H new ATOM 0 HB2 ASP A 18 3.130 17.303 -4.083 1.00 42.44 H new ATOM 0 HB3 ASP A 18 4.506 18.033 -3.280 1.00 42.44 H new ATOM 294 N GLN A 19 2.136 15.944 -2.180 1.00 43.35 N ATOM 295 CA GLN A 19 1.092 15.915 -1.147 1.00 42.32 C ATOM 296 C GLN A 19 0.071 14.794 -1.412 1.00 42.54 C ATOM 297 O GLN A 19 -0.962 14.712 -0.751 1.00 65.04 O ATOM 298 CB GLN A 19 0.379 17.276 -1.082 1.00 32.24 C ATOM 299 CG GLN A 19 1.320 18.452 -0.847 1.00 23.42 C ATOM 300 CD GLN A 19 0.588 19.780 -0.763 1.00 21.04 C ATOM 301 OE1 GLN A 19 0.191 20.216 0.311 1.00 11.52 O ATOM 302 NE2 GLN A 19 0.389 20.426 -1.893 1.00 51.34 N ATOM 0 H GLN A 19 1.779 16.029 -3.132 1.00 43.35 H new ATOM 0 HA GLN A 19 1.571 15.712 -0.189 1.00 42.32 H new ATOM 0 HB2 GLN A 19 -0.163 17.437 -2.014 1.00 32.24 H new ATOM 0 HB3 GLN A 19 -0.362 17.250 -0.283 1.00 32.24 H new ATOM 0 HG2 GLN A 19 1.875 18.289 0.077 1.00 23.42 H new ATOM 0 HG3 GLN A 19 2.050 18.495 -1.655 1.00 23.42 H new ATOM 0 HE21 GLN A 19 0.732 20.036 -2.771 1.00 51.34 H new ATOM 0 HE22 GLN A 19 -0.108 21.316 -1.891 1.00 51.34 H new ATOM 311 N ASN A 20 0.358 13.947 -2.401 1.00 22.31 N ATOM 312 CA ASN A 20 -0.488 12.784 -2.721 1.00 11.54 C ATOM 313 C ASN A 20 0.290 11.472 -2.502 1.00 44.33 C ATOM 314 O ASN A 20 1.514 11.439 -2.637 1.00 2.41 O ATOM 315 CB ASN A 20 -0.975 12.841 -4.182 1.00 75.53 C ATOM 316 CG ASN A 20 -2.007 13.928 -4.462 1.00 14.03 C ATOM 317 OD1 ASN A 20 -1.892 15.064 -3.811 1.00 51.01 O flip ATOM 318 ND2 ASN A 20 -2.895 13.751 -5.290 1.00 50.15 N flip ATOM 0 H ASN A 20 1.176 14.042 -3.002 1.00 22.31 H new ATOM 0 HA ASN A 20 -1.351 12.812 -2.055 1.00 11.54 H new ATOM 0 HB2 ASN A 20 -0.115 12.998 -4.833 1.00 75.53 H new ATOM 0 HB3 ASN A 20 -1.403 11.874 -4.447 1.00 75.53 H new ATOM 0 HD21 ASN A 20 -2.963 12.860 -5.782 1.00 50.15 H new ATOM 0 HD22 ASN A 20 -3.565 14.495 -5.486 1.00 50.15 H new ATOM 325 N VAL A 21 -0.422 10.398 -2.178 1.00 32.53 N ATOM 326 CA VAL A 21 0.204 9.086 -1.977 1.00 45.24 C ATOM 327 C VAL A 21 -0.755 7.951 -2.375 1.00 71.30 C ATOM 328 O VAL A 21 -1.901 7.910 -1.936 1.00 43.24 O ATOM 329 CB VAL A 21 0.665 8.913 -0.506 1.00 22.44 C ATOM 330 CG1 VAL A 21 -0.472 9.220 0.457 1.00 33.44 C ATOM 331 CG2 VAL A 21 1.216 7.512 -0.253 1.00 74.14 C ATOM 0 H VAL A 21 -1.434 10.405 -2.048 1.00 32.53 H new ATOM 0 HA VAL A 21 1.082 9.034 -2.621 1.00 45.24 H new ATOM 0 HB VAL A 21 1.471 9.625 -0.330 1.00 22.44 H new ATOM 0 HG11 VAL A 21 -0.125 9.092 1.482 1.00 33.44 H new ATOM 0 HG12 VAL A 21 -0.804 10.248 0.312 1.00 33.44 H new ATOM 0 HG13 VAL A 21 -1.303 8.540 0.268 1.00 33.44 H new ATOM 0 HG21 VAL A 21 1.529 7.427 0.787 1.00 74.14 H new ATOM 0 HG22 VAL A 21 0.442 6.774 -0.460 1.00 74.14 H new ATOM 0 HG23 VAL A 21 2.071 7.334 -0.905 1.00 74.14 H new ATOM 341 N ALA A 22 -0.286 7.034 -3.218 1.00 73.25 N ATOM 342 CA ALA A 22 -1.141 5.961 -3.743 1.00 4.41 C ATOM 343 C ALA A 22 -0.582 4.565 -3.427 1.00 1.03 C ATOM 344 O ALA A 22 0.626 4.354 -3.462 1.00 34.35 O ATOM 345 CB ALA A 22 -1.316 6.133 -5.246 1.00 44.44 C ATOM 0 H ALA A 22 0.677 7.008 -3.554 1.00 73.25 H new ATOM 0 HA ALA A 22 -2.110 6.037 -3.249 1.00 4.41 H new ATOM 0 HB1 ALA A 22 -1.951 5.335 -5.632 1.00 44.44 H new ATOM 0 HB2 ALA A 22 -1.781 7.098 -5.450 1.00 44.44 H new ATOM 0 HB3 ALA A 22 -0.342 6.089 -5.733 1.00 44.44 H new ATOM 351 N ILE A 23 -1.469 3.612 -3.133 1.00 1.54 N ATOM 352 CA ILE A 23 -1.057 2.231 -2.818 1.00 31.33 C ATOM 353 C ILE A 23 -1.553 1.222 -3.876 1.00 63.01 C ATOM 354 O ILE A 23 -2.603 1.418 -4.491 1.00 11.15 O ATOM 355 CB ILE A 23 -1.569 1.796 -1.417 1.00 24.45 C ATOM 356 CG1 ILE A 23 -3.106 1.882 -1.347 1.00 1.42 C ATOM 357 CG2 ILE A 23 -0.927 2.651 -0.321 1.00 22.22 C ATOM 358 CD1 ILE A 23 -3.685 1.468 -0.008 1.00 64.44 C ATOM 0 H ILE A 23 -2.477 3.765 -3.105 1.00 1.54 H new ATOM 0 HA ILE A 23 0.033 2.228 -2.821 1.00 31.33 H new ATOM 0 HB ILE A 23 -1.280 0.758 -1.254 1.00 24.45 H new ATOM 0 HG12 ILE A 23 -3.413 2.905 -1.564 1.00 1.42 H new ATOM 0 HG13 ILE A 23 -3.531 1.250 -2.127 1.00 1.42 H new ATOM 0 HG21 ILE A 23 -1.297 2.332 0.653 1.00 22.22 H new ATOM 0 HG22 ILE A 23 0.156 2.532 -0.354 1.00 22.22 H new ATOM 0 HG23 ILE A 23 -1.182 3.699 -0.481 1.00 22.22 H new ATOM 0 HD11 ILE A 23 -4.771 1.556 -0.038 1.00 64.44 H new ATOM 0 HD12 ILE A 23 -3.410 0.435 0.203 1.00 64.44 H new ATOM 0 HD13 ILE A 23 -3.290 2.116 0.775 1.00 64.44 H new ATOM 370 N ALA A 24 -0.781 0.147 -4.082 1.00 43.34 N ATOM 371 CA ALA A 24 -1.132 -0.907 -5.050 1.00 2.14 C ATOM 372 C ALA A 24 -0.423 -2.233 -4.718 1.00 61.33 C ATOM 373 O ALA A 24 0.615 -2.236 -4.066 1.00 72.32 O ATOM 374 CB ALA A 24 -0.778 -0.461 -6.465 1.00 32.14 C ATOM 0 H ALA A 24 0.097 -0.018 -3.589 1.00 43.34 H new ATOM 0 HA ALA A 24 -2.207 -1.076 -4.986 1.00 2.14 H new ATOM 0 HB1 ALA A 24 -1.042 -1.248 -7.171 1.00 32.14 H new ATOM 0 HB2 ALA A 24 -1.331 0.446 -6.709 1.00 32.14 H new ATOM 0 HB3 ALA A 24 0.292 -0.262 -6.527 1.00 32.14 H new ATOM 380 N VAL A 25 -0.981 -3.356 -5.178 1.00 35.21 N ATOM 381 CA VAL A 25 -0.405 -4.685 -4.896 1.00 51.50 C ATOM 382 C VAL A 25 -0.051 -5.445 -6.190 1.00 70.24 C ATOM 383 O VAL A 25 -0.666 -5.230 -7.241 1.00 54.34 O ATOM 384 CB VAL A 25 -1.379 -5.547 -4.040 1.00 21.34 C ATOM 385 CG1 VAL A 25 -0.811 -6.943 -3.781 1.00 21.53 C ATOM 386 CG2 VAL A 25 -1.692 -4.848 -2.718 1.00 63.35 C ATOM 0 H VAL A 25 -1.828 -3.378 -5.746 1.00 35.21 H new ATOM 0 HA VAL A 25 0.514 -4.515 -4.335 1.00 51.50 H new ATOM 0 HB VAL A 25 -2.303 -5.662 -4.606 1.00 21.34 H new ATOM 0 HG11 VAL A 25 -1.517 -7.517 -3.181 1.00 21.53 H new ATOM 0 HG12 VAL A 25 -0.646 -7.451 -4.731 1.00 21.53 H new ATOM 0 HG13 VAL A 25 0.135 -6.857 -3.246 1.00 21.53 H new ATOM 0 HG21 VAL A 25 -2.374 -5.465 -2.133 1.00 63.35 H new ATOM 0 HG22 VAL A 25 -0.769 -4.697 -2.159 1.00 63.35 H new ATOM 0 HG23 VAL A 25 -2.157 -3.883 -2.918 1.00 63.35 H new ATOM 396 N ASP A 26 0.953 -6.323 -6.107 1.00 32.25 N ATOM 397 CA ASP A 26 1.383 -7.155 -7.239 1.00 44.40 C ATOM 398 C ASP A 26 1.378 -8.644 -6.865 1.00 23.32 C ATOM 399 O ASP A 26 1.660 -9.011 -5.724 1.00 53.13 O ATOM 400 CB ASP A 26 2.790 -6.752 -7.687 1.00 70.00 C ATOM 401 CG ASP A 26 2.887 -5.277 -8.000 1.00 23.11 C ATOM 402 OD1 ASP A 26 3.120 -4.483 -7.066 1.00 24.22 O ATOM 403 OD2 ASP A 26 2.718 -4.897 -9.178 1.00 52.35 O ATOM 0 H ASP A 26 1.491 -6.478 -5.255 1.00 32.25 H new ATOM 0 HA ASP A 26 0.678 -6.996 -8.055 1.00 44.40 H new ATOM 0 HB2 ASP A 26 3.505 -7.004 -6.904 1.00 70.00 H new ATOM 0 HB3 ASP A 26 3.068 -7.328 -8.569 1.00 70.00 H new ATOM 408 N GLN A 27 1.072 -9.497 -7.836 1.00 33.41 N ATOM 409 CA GLN A 27 1.079 -10.946 -7.628 1.00 45.25 C ATOM 410 C GLN A 27 2.320 -11.586 -8.275 1.00 3.15 C ATOM 411 O GLN A 27 2.607 -11.368 -9.457 1.00 61.23 O ATOM 412 CB GLN A 27 -0.209 -11.575 -8.193 1.00 61.44 C ATOM 413 CG GLN A 27 -0.375 -11.418 -9.703 1.00 30.14 C ATOM 414 CD GLN A 27 -1.676 -12.009 -10.220 1.00 73.03 C ATOM 415 OE1 GLN A 27 -2.685 -11.324 -10.330 1.00 60.23 O ATOM 416 NE2 GLN A 27 -1.667 -13.290 -10.529 1.00 4.42 N ATOM 0 H GLN A 27 0.814 -9.211 -8.781 1.00 33.41 H new ATOM 0 HA GLN A 27 1.119 -11.137 -6.556 1.00 45.25 H new ATOM 0 HB2 GLN A 27 -0.219 -12.637 -7.947 1.00 61.44 H new ATOM 0 HB3 GLN A 27 -1.068 -11.124 -7.696 1.00 61.44 H new ATOM 0 HG2 GLN A 27 -0.336 -10.359 -9.960 1.00 30.14 H new ATOM 0 HG3 GLN A 27 0.463 -11.900 -10.207 1.00 30.14 H new ATOM 0 HE21 GLN A 27 -0.810 -13.833 -10.426 1.00 4.42 H new ATOM 0 HE22 GLN A 27 -2.517 -13.738 -10.871 1.00 4.42 H new ATOM 425 N ILE A 28 3.066 -12.357 -7.492 1.00 52.23 N ATOM 426 CA ILE A 28 4.238 -13.073 -8.003 1.00 4.21 C ATOM 427 C ILE A 28 3.820 -14.398 -8.658 1.00 42.01 C ATOM 428 O ILE A 28 3.595 -15.404 -7.983 1.00 53.15 O ATOM 429 CB ILE A 28 5.286 -13.326 -6.887 1.00 31.24 C ATOM 430 CG1 ILE A 28 5.783 -11.981 -6.326 1.00 21.11 C ATOM 431 CG2 ILE A 28 6.457 -14.164 -7.409 1.00 74.03 C ATOM 432 CD1 ILE A 28 6.842 -12.102 -5.250 1.00 30.12 C ATOM 0 H ILE A 28 2.883 -12.505 -6.499 1.00 52.23 H new ATOM 0 HA ILE A 28 4.705 -12.441 -8.758 1.00 4.21 H new ATOM 0 HB ILE A 28 4.811 -13.891 -6.085 1.00 31.24 H new ATOM 0 HG12 ILE A 28 6.183 -11.385 -7.146 1.00 21.11 H new ATOM 0 HG13 ILE A 28 4.932 -11.434 -5.920 1.00 21.11 H new ATOM 0 HG21 ILE A 28 7.176 -14.325 -6.605 1.00 74.03 H new ATOM 0 HG22 ILE A 28 6.087 -15.126 -7.763 1.00 74.03 H new ATOM 0 HG23 ILE A 28 6.943 -13.638 -8.230 1.00 74.03 H new ATOM 0 HD11 ILE A 28 7.133 -11.107 -4.913 1.00 30.12 H new ATOM 0 HD12 ILE A 28 6.443 -12.668 -4.408 1.00 30.12 H new ATOM 0 HD13 ILE A 28 7.713 -12.618 -5.653 1.00 30.12 H new ATOM 444 N VAL A 29 3.698 -14.369 -9.981 1.00 14.25 N ATOM 445 CA VAL A 29 3.219 -15.517 -10.757 1.00 14.10 C ATOM 446 C VAL A 29 4.356 -16.515 -11.046 1.00 10.15 C ATOM 447 O VAL A 29 5.532 -16.164 -10.967 1.00 64.44 O ATOM 448 CB VAL A 29 2.598 -15.035 -12.100 1.00 22.13 C ATOM 449 CG1 VAL A 29 1.957 -16.191 -12.870 1.00 24.13 C ATOM 450 CG2 VAL A 29 1.580 -13.921 -11.855 1.00 12.42 C ATOM 0 H VAL A 29 3.927 -13.553 -10.548 1.00 14.25 H new ATOM 0 HA VAL A 29 2.459 -16.024 -10.162 1.00 14.10 H new ATOM 0 HB VAL A 29 3.407 -14.638 -12.713 1.00 22.13 H new ATOM 0 HG11 VAL A 29 1.534 -15.817 -13.802 1.00 24.13 H new ATOM 0 HG12 VAL A 29 2.713 -16.944 -13.091 1.00 24.13 H new ATOM 0 HG13 VAL A 29 1.167 -16.637 -12.266 1.00 24.13 H new ATOM 0 HG21 VAL A 29 1.158 -13.598 -12.807 1.00 12.42 H new ATOM 0 HG22 VAL A 29 0.782 -14.292 -11.211 1.00 12.42 H new ATOM 0 HG23 VAL A 29 2.073 -13.077 -11.372 1.00 12.42 H new ATOM 460 N GLY A 30 3.995 -17.754 -11.396 1.00 2.33 N ATOM 461 CA GLY A 30 4.992 -18.775 -11.722 1.00 23.54 C ATOM 462 C GLY A 30 6.046 -18.315 -12.738 1.00 4.32 C ATOM 463 O GLY A 30 7.171 -18.813 -12.739 1.00 45.45 O ATOM 0 H GLY A 30 3.028 -18.071 -11.460 1.00 2.33 H new ATOM 0 HA2 GLY A 30 5.495 -19.083 -10.805 1.00 23.54 H new ATOM 0 HA3 GLY A 30 4.482 -19.654 -12.116 1.00 23.54 H new ATOM 467 N LYS A 31 5.684 -17.368 -13.609 1.00 24.44 N ATOM 468 CA LYS A 31 6.635 -16.803 -14.578 1.00 1.51 C ATOM 469 C LYS A 31 7.532 -15.736 -13.928 1.00 60.14 C ATOM 470 O LYS A 31 8.713 -15.613 -14.260 1.00 62.15 O ATOM 471 CB LYS A 31 5.885 -16.182 -15.767 1.00 73.34 C ATOM 472 CG LYS A 31 6.807 -15.692 -16.885 1.00 72.01 C ATOM 473 CD LYS A 31 6.045 -14.956 -17.988 1.00 73.51 C ATOM 474 CE LYS A 31 5.495 -13.617 -17.509 1.00 53.42 C ATOM 475 NZ LYS A 31 4.755 -12.902 -18.583 1.00 50.40 N ATOM 0 H LYS A 31 4.744 -16.976 -13.665 1.00 24.44 H new ATOM 0 HA LYS A 31 7.266 -17.619 -14.930 1.00 1.51 H new ATOM 0 HB2 LYS A 31 5.194 -16.919 -16.175 1.00 73.34 H new ATOM 0 HB3 LYS A 31 5.284 -15.345 -15.410 1.00 73.34 H new ATOM 0 HG2 LYS A 31 7.563 -15.029 -16.464 1.00 72.01 H new ATOM 0 HG3 LYS A 31 7.334 -16.543 -17.317 1.00 72.01 H new ATOM 0 HD2 LYS A 31 6.707 -14.792 -18.838 1.00 73.51 H new ATOM 0 HD3 LYS A 31 5.223 -15.580 -18.339 1.00 73.51 H new ATOM 0 HE2 LYS A 31 4.832 -13.780 -16.659 1.00 53.42 H new ATOM 0 HE3 LYS A 31 6.316 -12.993 -17.157 1.00 53.42 H new ATOM 0 HZ1 LYS A 31 4.398 -11.997 -18.215 1.00 50.40 H new ATOM 0 HZ2 LYS A 31 5.393 -12.723 -19.384 1.00 50.40 H new ATOM 0 HZ3 LYS A 31 3.955 -13.486 -18.902 1.00 50.40 H new ATOM 489 N GLY A 32 6.962 -14.979 -12.994 1.00 44.41 N ATOM 490 CA GLY A 32 7.676 -13.869 -12.371 1.00 3.01 C ATOM 491 C GLY A 32 6.756 -12.962 -11.556 1.00 13.02 C ATOM 492 O GLY A 32 6.271 -13.348 -10.496 1.00 0.25 O ATOM 0 H GLY A 32 6.010 -15.114 -12.653 1.00 44.41 H new ATOM 0 HA2 GLY A 32 8.458 -14.263 -11.723 1.00 3.01 H new ATOM 0 HA3 GLY A 32 8.169 -13.280 -13.144 1.00 3.01 H new ATOM 496 N THR A 33 6.504 -11.752 -12.052 1.00 12.03 N ATOM 497 CA THR A 33 5.621 -10.796 -11.362 1.00 74.44 C ATOM 498 C THR A 33 4.533 -10.244 -12.294 1.00 51.13 C ATOM 499 O THR A 33 4.693 -10.215 -13.516 1.00 23.24 O ATOM 500 CB THR A 33 6.416 -9.604 -10.771 1.00 3.12 C ATOM 501 OG1 THR A 33 7.172 -8.954 -11.802 1.00 23.01 O ATOM 502 CG2 THR A 33 7.352 -10.061 -9.655 1.00 35.34 C ATOM 0 H THR A 33 6.895 -11.405 -12.928 1.00 12.03 H new ATOM 0 HA THR A 33 5.151 -11.355 -10.553 1.00 74.44 H new ATOM 0 HB THR A 33 5.699 -8.900 -10.349 1.00 3.12 H new ATOM 0 HG1 THR A 33 7.669 -8.202 -11.418 1.00 23.01 H new ATOM 0 HG21 THR A 33 7.895 -9.202 -9.261 1.00 35.34 H new ATOM 0 HG22 THR A 33 6.769 -10.519 -8.856 1.00 35.34 H new ATOM 0 HG23 THR A 33 8.061 -10.789 -10.050 1.00 35.34 H new ATOM 510 N SER A 34 3.414 -9.822 -11.709 1.00 25.42 N ATOM 511 CA SER A 34 2.301 -9.238 -12.474 1.00 11.30 C ATOM 512 C SER A 34 1.479 -8.277 -11.601 1.00 70.13 C ATOM 513 O SER A 34 1.118 -8.616 -10.476 1.00 31.04 O ATOM 514 CB SER A 34 1.381 -10.345 -13.022 1.00 24.01 C ATOM 515 OG SER A 34 2.069 -11.205 -13.922 1.00 65.40 O ATOM 0 H SER A 34 3.248 -9.872 -10.704 1.00 25.42 H new ATOM 0 HA SER A 34 2.729 -8.680 -13.307 1.00 11.30 H new ATOM 0 HB2 SER A 34 0.982 -10.930 -12.193 1.00 24.01 H new ATOM 0 HB3 SER A 34 0.530 -9.892 -13.531 1.00 24.01 H new ATOM 0 HG SER A 34 2.996 -10.903 -14.019 1.00 65.40 H new ATOM 521 N PRO A 35 1.167 -7.064 -12.102 1.00 72.13 N ATOM 522 CA PRO A 35 0.360 -6.077 -11.355 1.00 71.41 C ATOM 523 C PRO A 35 -1.034 -6.614 -10.973 1.00 72.31 C ATOM 524 O PRO A 35 -1.837 -6.969 -11.840 1.00 72.54 O ATOM 525 CB PRO A 35 0.235 -4.897 -12.336 1.00 24.41 C ATOM 526 CG PRO A 35 1.379 -5.064 -13.283 1.00 61.23 C ATOM 527 CD PRO A 35 1.573 -6.550 -13.424 1.00 0.31 C ATOM 0 HA PRO A 35 0.826 -5.812 -10.406 1.00 71.41 H new ATOM 0 HB2 PRO A 35 -0.720 -4.919 -12.861 1.00 24.41 H new ATOM 0 HB3 PRO A 35 0.290 -3.942 -11.814 1.00 24.41 H new ATOM 0 HG2 PRO A 35 1.161 -4.604 -14.247 1.00 61.23 H new ATOM 0 HG3 PRO A 35 2.280 -4.586 -12.898 1.00 61.23 H new ATOM 0 HD2 PRO A 35 0.959 -6.963 -14.224 1.00 0.31 H new ATOM 0 HD3 PRO A 35 2.608 -6.802 -13.655 1.00 0.31 H new ATOM 535 N LEU A 36 -1.316 -6.674 -9.672 1.00 3.00 N ATOM 536 CA LEU A 36 -2.597 -7.198 -9.180 1.00 65.53 C ATOM 537 C LEU A 36 -3.671 -6.097 -9.133 1.00 11.45 C ATOM 538 O LEU A 36 -4.757 -6.249 -9.698 1.00 24.03 O ATOM 539 CB LEU A 36 -2.418 -7.820 -7.785 1.00 45.12 C ATOM 540 CG LEU A 36 -3.674 -8.480 -7.191 1.00 62.10 C ATOM 541 CD1 LEU A 36 -4.103 -9.682 -8.028 1.00 14.43 C ATOM 542 CD2 LEU A 36 -3.436 -8.889 -5.739 1.00 51.32 C ATOM 0 H LEU A 36 -0.678 -6.367 -8.938 1.00 3.00 H new ATOM 0 HA LEU A 36 -2.932 -7.968 -9.875 1.00 65.53 H new ATOM 0 HB2 LEU A 36 -1.626 -8.567 -7.838 1.00 45.12 H new ATOM 0 HB3 LEU A 36 -2.078 -7.043 -7.100 1.00 45.12 H new ATOM 0 HG LEU A 36 -4.482 -7.748 -7.210 1.00 62.10 H new ATOM 0 HD11 LEU A 36 -4.993 -10.132 -7.589 1.00 14.43 H new ATOM 0 HD12 LEU A 36 -4.325 -9.357 -9.044 1.00 14.43 H new ATOM 0 HD13 LEU A 36 -3.298 -10.416 -8.050 1.00 14.43 H new ATOM 0 HD21 LEU A 36 -4.337 -9.354 -5.339 1.00 51.32 H new ATOM 0 HD22 LEU A 36 -2.610 -9.599 -5.692 1.00 51.32 H new ATOM 0 HD23 LEU A 36 -3.190 -8.007 -5.148 1.00 51.32 H new ATOM 554 N THR A 37 -3.362 -4.997 -8.447 1.00 60.22 N ATOM 555 CA THR A 37 -4.282 -3.849 -8.347 1.00 54.51 C ATOM 556 C THR A 37 -3.627 -2.561 -8.865 1.00 45.31 C ATOM 557 O THR A 37 -2.413 -2.510 -9.080 1.00 70.01 O ATOM 558 CB THR A 37 -4.743 -3.601 -6.888 1.00 1.23 C ATOM 559 OG1 THR A 37 -3.638 -3.156 -6.086 1.00 54.35 O ATOM 560 CG2 THR A 37 -5.341 -4.864 -6.273 1.00 35.55 C ATOM 0 H THR A 37 -2.481 -4.870 -7.949 1.00 60.22 H new ATOM 0 HA THR A 37 -5.146 -4.102 -8.962 1.00 54.51 H new ATOM 0 HB THR A 37 -5.512 -2.829 -6.911 1.00 1.23 H new ATOM 0 HG1 THR A 37 -3.976 -2.705 -5.285 1.00 54.35 H new ATOM 0 HG21 THR A 37 -5.655 -4.657 -5.250 1.00 35.55 H new ATOM 0 HG22 THR A 37 -6.203 -5.181 -6.860 1.00 35.55 H new ATOM 0 HG23 THR A 37 -4.593 -5.657 -6.270 1.00 35.55 H new ATOM 568 N SER A 38 -4.435 -1.521 -9.063 1.00 11.24 N ATOM 569 CA SER A 38 -3.928 -0.212 -9.512 1.00 13.44 C ATOM 570 C SER A 38 -3.615 0.701 -8.317 1.00 61.01 C ATOM 571 O SER A 38 -3.871 0.343 -7.166 1.00 54.21 O ATOM 572 CB SER A 38 -4.951 0.472 -10.429 1.00 15.22 C ATOM 573 OG SER A 38 -4.437 1.681 -10.975 1.00 21.53 O ATOM 0 H SER A 38 -5.445 -1.553 -8.921 1.00 11.24 H new ATOM 0 HA SER A 38 -3.006 -0.386 -10.066 1.00 13.44 H new ATOM 0 HB2 SER A 38 -5.226 -0.205 -11.238 1.00 15.22 H new ATOM 0 HB3 SER A 38 -5.861 0.683 -9.867 1.00 15.22 H new ATOM 0 HG SER A 38 -5.112 2.091 -11.555 1.00 21.53 H new ATOM 579 N TYR A 39 -3.065 1.882 -8.593 1.00 34.54 N ATOM 580 CA TYR A 39 -2.714 2.843 -7.539 1.00 25.22 C ATOM 581 C TYR A 39 -3.941 3.627 -7.039 1.00 60.45 C ATOM 582 O TYR A 39 -4.543 4.402 -7.783 1.00 72.31 O ATOM 583 CB TYR A 39 -1.644 3.826 -8.040 1.00 50.32 C ATOM 584 CG TYR A 39 -0.228 3.277 -7.996 1.00 41.31 C ATOM 585 CD1 TYR A 39 0.442 3.153 -6.784 1.00 45.32 C ATOM 586 CD2 TYR A 39 0.443 2.903 -9.156 1.00 33.33 C ATOM 587 CE1 TYR A 39 1.734 2.669 -6.726 1.00 11.21 C ATOM 588 CE2 TYR A 39 1.738 2.422 -9.105 1.00 52.13 C ATOM 589 CZ TYR A 39 2.379 2.306 -7.889 1.00 64.40 C ATOM 590 OH TYR A 39 3.674 1.836 -7.833 1.00 21.22 O ATOM 0 H TYR A 39 -2.851 2.200 -9.538 1.00 34.54 H new ATOM 0 HA TYR A 39 -2.318 2.267 -6.702 1.00 25.22 H new ATOM 0 HB2 TYR A 39 -1.880 4.112 -9.065 1.00 50.32 H new ATOM 0 HB3 TYR A 39 -1.689 4.733 -7.438 1.00 50.32 H new ATOM 0 HD1 TYR A 39 -0.057 3.441 -5.871 1.00 45.32 H new ATOM 0 HD2 TYR A 39 -0.055 2.990 -10.110 1.00 33.33 H new ATOM 0 HE1 TYR A 39 2.236 2.575 -5.775 1.00 11.21 H new ATOM 0 HE2 TYR A 39 2.246 2.138 -10.014 1.00 52.13 H new ATOM 0 HH TYR A 39 3.984 1.623 -8.738 1.00 21.22 H new ATOM 600 N PHE A 40 -4.298 3.423 -5.773 1.00 33.21 N ATOM 601 CA PHE A 40 -5.411 4.149 -5.150 1.00 3.44 C ATOM 602 C PHE A 40 -4.897 5.393 -4.399 1.00 61.02 C ATOM 603 O PHE A 40 -4.155 5.277 -3.422 1.00 72.22 O ATOM 604 CB PHE A 40 -6.168 3.217 -4.195 1.00 31.24 C ATOM 605 CG PHE A 40 -6.553 1.901 -4.829 1.00 72.30 C ATOM 606 CD1 PHE A 40 -7.489 1.855 -5.853 1.00 24.25 C ATOM 607 CD2 PHE A 40 -5.974 0.711 -4.405 1.00 61.43 C ATOM 608 CE1 PHE A 40 -7.840 0.652 -6.438 1.00 12.13 C ATOM 609 CE2 PHE A 40 -6.324 -0.492 -4.987 1.00 25.34 C ATOM 610 CZ PHE A 40 -7.257 -0.523 -6.005 1.00 32.12 C ATOM 0 H PHE A 40 -3.833 2.759 -5.154 1.00 33.21 H new ATOM 0 HA PHE A 40 -6.093 4.485 -5.931 1.00 3.44 H new ATOM 0 HB2 PHE A 40 -5.548 3.024 -3.319 1.00 31.24 H new ATOM 0 HB3 PHE A 40 -7.068 3.721 -3.844 1.00 31.24 H new ATOM 0 HD1 PHE A 40 -7.949 2.770 -6.197 1.00 24.25 H new ATOM 0 HD2 PHE A 40 -5.242 0.727 -3.611 1.00 61.43 H new ATOM 0 HE1 PHE A 40 -8.570 0.631 -7.234 1.00 12.13 H new ATOM 0 HE2 PHE A 40 -5.868 -1.409 -4.646 1.00 25.34 H new ATOM 0 HZ PHE A 40 -7.530 -1.463 -6.461 1.00 32.12 H new ATOM 620 N PHE A 41 -5.306 6.577 -4.859 1.00 43.12 N ATOM 621 CA PHE A 41 -4.744 7.849 -4.374 1.00 11.21 C ATOM 622 C PHE A 41 -5.364 8.338 -3.048 1.00 52.43 C ATOM 623 O PHE A 41 -6.502 8.810 -3.006 1.00 20.43 O ATOM 624 CB PHE A 41 -4.904 8.933 -5.447 1.00 72.20 C ATOM 625 CG PHE A 41 -4.107 8.661 -6.702 1.00 73.25 C ATOM 626 CD1 PHE A 41 -4.649 7.917 -7.742 1.00 34.23 C ATOM 627 CD2 PHE A 41 -2.813 9.149 -6.839 1.00 62.32 C ATOM 628 CE1 PHE A 41 -3.917 7.666 -8.890 1.00 22.45 C ATOM 629 CE2 PHE A 41 -2.078 8.900 -7.983 1.00 65.21 C ATOM 630 CZ PHE A 41 -2.631 8.157 -9.010 1.00 62.15 C ATOM 0 H PHE A 41 -6.028 6.686 -5.571 1.00 43.12 H new ATOM 0 HA PHE A 41 -3.690 7.659 -4.172 1.00 11.21 H new ATOM 0 HB2 PHE A 41 -5.959 9.022 -5.708 1.00 72.20 H new ATOM 0 HB3 PHE A 41 -4.596 9.893 -5.032 1.00 72.20 H new ATOM 0 HD1 PHE A 41 -5.653 7.530 -7.654 1.00 34.23 H new ATOM 0 HD2 PHE A 41 -2.376 9.731 -6.041 1.00 62.32 H new ATOM 0 HE1 PHE A 41 -4.351 7.087 -9.691 1.00 22.45 H new ATOM 0 HE2 PHE A 41 -1.073 9.285 -8.075 1.00 65.21 H new ATOM 0 HZ PHE A 41 -2.059 7.961 -9.905 1.00 62.15 H new ATOM 640 N TRP A 42 -4.583 8.230 -1.980 1.00 2.12 N ATOM 641 CA TRP A 42 -4.915 8.810 -0.672 1.00 10.41 C ATOM 642 C TRP A 42 -4.301 10.228 -0.550 1.00 32.41 C ATOM 643 O TRP A 42 -3.190 10.469 -1.024 1.00 45.12 O ATOM 644 CB TRP A 42 -4.385 7.868 0.431 1.00 42.23 C ATOM 645 CG TRP A 42 -4.307 8.467 1.814 1.00 30.44 C ATOM 646 CD1 TRP A 42 -3.202 9.014 2.402 1.00 25.04 C ATOM 647 CD2 TRP A 42 -5.361 8.566 2.782 1.00 35.43 C ATOM 648 NE1 TRP A 42 -3.502 9.449 3.665 1.00 50.51 N ATOM 649 CE2 TRP A 42 -4.818 9.189 3.924 1.00 4.30 C ATOM 650 CE3 TRP A 42 -6.709 8.197 2.797 1.00 21.20 C ATOM 651 CZ2 TRP A 42 -5.573 9.446 5.062 1.00 74.20 C ATOM 652 CZ3 TRP A 42 -7.456 8.454 3.930 1.00 41.11 C ATOM 653 CH2 TRP A 42 -6.887 9.073 5.049 1.00 43.00 C ATOM 0 H TRP A 42 -3.692 7.734 -1.991 1.00 2.12 H new ATOM 0 HA TRP A 42 -5.995 8.911 -0.563 1.00 10.41 H new ATOM 0 HB2 TRP A 42 -5.026 6.987 0.471 1.00 42.23 H new ATOM 0 HB3 TRP A 42 -3.390 7.526 0.145 1.00 42.23 H new ATOM 0 HD1 TRP A 42 -2.230 9.092 1.937 1.00 25.04 H new ATOM 0 HE1 TRP A 42 -2.849 9.895 4.309 1.00 50.51 H new ATOM 0 HE3 TRP A 42 -7.158 7.720 1.939 1.00 21.20 H new ATOM 0 HZ2 TRP A 42 -5.136 9.924 5.926 1.00 74.20 H new ATOM 0 HZ3 TRP A 42 -8.498 8.172 3.953 1.00 41.11 H new ATOM 0 HH2 TRP A 42 -7.499 9.259 5.919 1.00 43.00 H new ATOM 664 N PRO A 43 -5.014 11.206 0.066 1.00 25.21 N ATOM 665 CA PRO A 43 -6.359 11.028 0.627 1.00 70.05 C ATOM 666 C PRO A 43 -7.493 11.437 -0.331 1.00 35.21 C ATOM 667 O PRO A 43 -8.625 11.651 0.100 1.00 4.22 O ATOM 668 CB PRO A 43 -6.307 11.974 1.831 1.00 51.31 C ATOM 669 CG PRO A 43 -5.453 13.119 1.374 1.00 44.41 C ATOM 670 CD PRO A 43 -4.529 12.581 0.294 1.00 23.32 C ATOM 0 HA PRO A 43 -6.581 9.985 0.854 1.00 70.05 H new ATOM 0 HB2 PRO A 43 -7.304 12.311 2.114 1.00 51.31 H new ATOM 0 HB3 PRO A 43 -5.877 11.482 2.704 1.00 51.31 H new ATOM 0 HG2 PRO A 43 -6.070 13.929 0.985 1.00 44.41 H new ATOM 0 HG3 PRO A 43 -4.878 13.527 2.205 1.00 44.41 H new ATOM 0 HD2 PRO A 43 -4.585 13.180 -0.615 1.00 23.32 H new ATOM 0 HD3 PRO A 43 -3.488 12.589 0.618 1.00 23.32 H new ATOM 678 N ARG A 44 -7.197 11.534 -1.627 1.00 14.33 N ATOM 679 CA ARG A 44 -8.199 11.957 -2.616 1.00 3.31 C ATOM 680 C ARG A 44 -9.320 10.913 -2.774 1.00 63.12 C ATOM 681 O ARG A 44 -10.385 11.203 -3.320 1.00 55.44 O ATOM 682 CB ARG A 44 -7.527 12.242 -3.967 1.00 1.24 C ATOM 683 CG ARG A 44 -6.403 13.274 -3.878 1.00 54.15 C ATOM 684 CD ARG A 44 -5.981 13.788 -5.251 1.00 2.25 C ATOM 685 NE ARG A 44 -7.055 14.539 -5.903 1.00 53.52 N ATOM 686 CZ ARG A 44 -6.872 15.497 -6.770 1.00 35.33 C ATOM 687 NH1 ARG A 44 -5.675 15.832 -7.141 1.00 22.32 N ATOM 688 NH2 ARG A 44 -7.895 16.118 -7.263 1.00 31.23 N ATOM 0 H ARG A 44 -6.278 11.328 -2.019 1.00 14.33 H new ATOM 0 HA ARG A 44 -8.660 12.875 -2.252 1.00 3.31 H new ATOM 0 HB2 ARG A 44 -7.125 11.312 -4.369 1.00 1.24 H new ATOM 0 HB3 ARG A 44 -8.280 12.595 -4.672 1.00 1.24 H new ATOM 0 HG2 ARG A 44 -6.730 14.112 -3.263 1.00 54.15 H new ATOM 0 HG3 ARG A 44 -5.542 12.829 -3.379 1.00 54.15 H new ATOM 0 HD2 ARG A 44 -5.103 14.425 -5.147 1.00 2.25 H new ATOM 0 HD3 ARG A 44 -5.691 12.947 -5.881 1.00 2.25 H new ATOM 0 HE ARG A 44 -8.016 14.296 -5.662 1.00 53.52 H new ATOM 0 HH11 ARG A 44 -4.866 15.345 -6.754 1.00 22.32 H new ATOM 0 HH12 ARG A 44 -5.543 16.582 -7.819 1.00 22.32 H new ATOM 0 HH21 ARG A 44 -8.838 15.858 -6.973 1.00 31.23 H new ATOM 0 HH22 ARG A 44 -7.758 16.868 -7.941 1.00 31.23 H new ATOM 702 N ALA A 45 -9.060 9.700 -2.300 1.00 5.15 N ATOM 703 CA ALA A 45 -10.062 8.630 -2.261 1.00 74.32 C ATOM 704 C ALA A 45 -9.706 7.609 -1.172 1.00 64.42 C ATOM 705 O ALA A 45 -8.540 7.491 -0.788 1.00 33.11 O ATOM 706 CB ALA A 45 -10.162 7.946 -3.621 1.00 11.02 C ATOM 0 H ALA A 45 -8.150 9.426 -1.931 1.00 5.15 H new ATOM 0 HA ALA A 45 -11.031 9.068 -2.023 1.00 74.32 H new ATOM 0 HB1 ALA A 45 -10.910 7.154 -3.576 1.00 11.02 H new ATOM 0 HB2 ALA A 45 -10.453 8.677 -4.375 1.00 11.02 H new ATOM 0 HB3 ALA A 45 -9.195 7.517 -3.885 1.00 11.02 H new ATOM 712 N ASP A 46 -10.701 6.878 -0.666 1.00 33.12 N ATOM 713 CA ASP A 46 -10.449 5.853 0.351 1.00 42.25 C ATOM 714 C ASP A 46 -9.573 4.730 -0.232 1.00 21.34 C ATOM 715 O ASP A 46 -10.075 3.744 -0.777 1.00 22.00 O ATOM 716 CB ASP A 46 -11.773 5.288 0.881 1.00 45.32 C ATOM 717 CG ASP A 46 -11.629 4.657 2.258 1.00 71.45 C ATOM 718 OD1 ASP A 46 -10.702 3.841 2.459 1.00 54.44 O ATOM 719 OD2 ASP A 46 -12.448 4.970 3.148 1.00 44.31 O ATOM 0 H ASP A 46 -11.679 6.974 -0.939 1.00 33.12 H new ATOM 0 HA ASP A 46 -9.915 6.310 1.184 1.00 42.25 H new ATOM 0 HB2 ASP A 46 -12.513 6.087 0.927 1.00 45.32 H new ATOM 0 HB3 ASP A 46 -12.152 4.543 0.182 1.00 45.32 H new ATOM 724 N ALA A 47 -8.261 4.916 -0.151 1.00 35.44 N ATOM 725 CA ALA A 47 -7.301 3.979 -0.736 1.00 52.44 C ATOM 726 C ALA A 47 -7.396 2.584 -0.106 1.00 22.33 C ATOM 727 O ALA A 47 -7.427 1.573 -0.812 1.00 22.22 O ATOM 728 CB ALA A 47 -5.886 4.526 -0.593 1.00 4.25 C ATOM 0 H ALA A 47 -7.832 5.714 0.318 1.00 35.44 H new ATOM 0 HA ALA A 47 -7.547 3.874 -1.793 1.00 52.44 H new ATOM 0 HB1 ALA A 47 -5.178 3.822 -1.031 1.00 4.25 H new ATOM 0 HB2 ALA A 47 -5.812 5.483 -1.109 1.00 4.25 H new ATOM 0 HB3 ALA A 47 -5.654 4.664 0.463 1.00 4.25 H new ATOM 734 N TRP A 48 -7.453 2.539 1.223 1.00 53.32 N ATOM 735 CA TRP A 48 -7.480 1.271 1.956 1.00 50.44 C ATOM 736 C TRP A 48 -8.748 0.460 1.625 1.00 71.23 C ATOM 737 O TRP A 48 -8.687 -0.761 1.460 1.00 20.34 O ATOM 738 CB TRP A 48 -7.389 1.532 3.467 1.00 52.24 C ATOM 739 CG TRP A 48 -6.997 0.320 4.261 1.00 15.12 C ATOM 740 CD1 TRP A 48 -5.750 -0.228 4.352 1.00 62.22 C ATOM 741 CD2 TRP A 48 -7.851 -0.488 5.079 1.00 13.30 C ATOM 742 NE1 TRP A 48 -5.778 -1.329 5.169 1.00 34.03 N ATOM 743 CE2 TRP A 48 -7.055 -1.510 5.627 1.00 23.45 C ATOM 744 CE3 TRP A 48 -9.209 -0.449 5.399 1.00 23.34 C ATOM 745 CZ2 TRP A 48 -7.573 -2.483 6.476 1.00 43.24 C ATOM 746 CZ3 TRP A 48 -9.722 -1.415 6.242 1.00 22.23 C ATOM 747 CH2 TRP A 48 -8.905 -2.420 6.771 1.00 34.13 C ATOM 0 H TRP A 48 -7.482 3.367 1.818 1.00 53.32 H new ATOM 0 HA TRP A 48 -6.617 0.681 1.645 1.00 50.44 H new ATOM 0 HB2 TRP A 48 -6.664 2.325 3.648 1.00 52.24 H new ATOM 0 HB3 TRP A 48 -8.353 1.894 3.824 1.00 52.24 H new ATOM 0 HD1 TRP A 48 -4.870 0.150 3.853 1.00 62.22 H new ATOM 0 HE1 TRP A 48 -4.977 -1.918 5.398 1.00 34.03 H new ATOM 0 HE3 TRP A 48 -9.847 0.323 4.995 1.00 23.34 H new ATOM 0 HZ2 TRP A 48 -6.945 -3.260 6.887 1.00 43.24 H new ATOM 0 HZ3 TRP A 48 -10.771 -1.394 6.497 1.00 22.23 H new ATOM 0 HH2 TRP A 48 -9.337 -3.162 7.427 1.00 34.13 H new ATOM 758 N GLN A 49 -9.891 1.143 1.513 1.00 52.34 N ATOM 759 CA GLN A 49 -11.154 0.477 1.168 1.00 12.24 C ATOM 760 C GLN A 49 -11.111 -0.101 -0.255 1.00 4.52 C ATOM 761 O GLN A 49 -11.510 -1.245 -0.483 1.00 14.32 O ATOM 762 CB GLN A 49 -12.340 1.444 1.288 1.00 23.23 C ATOM 763 CG GLN A 49 -13.702 0.764 1.164 1.00 13.40 C ATOM 764 CD GLN A 49 -13.970 -0.226 2.287 1.00 74.43 C ATOM 765 OE1 GLN A 49 -13.479 0.069 3.474 1.00 22.12 O flip ATOM 766 NE2 GLN A 49 -14.632 -1.241 2.095 1.00 72.54 N flip ATOM 0 H GLN A 49 -9.970 2.150 1.655 1.00 52.34 H new ATOM 0 HA GLN A 49 -11.287 -0.340 1.877 1.00 12.24 H new ATOM 0 HB2 GLN A 49 -12.285 1.955 2.249 1.00 23.23 H new ATOM 0 HB3 GLN A 49 -12.254 2.208 0.516 1.00 23.23 H new ATOM 0 HG2 GLN A 49 -14.484 1.524 1.161 1.00 13.40 H new ATOM 0 HG3 GLN A 49 -13.758 0.245 0.207 1.00 13.40 H new ATOM 0 HE21 GLN A 49 -14.999 -1.442 1.165 1.00 72.54 H new ATOM 0 HE22 GLN A 49 -14.816 -1.884 2.866 1.00 72.54 H new ATOM 775 N GLN A 50 -10.633 0.697 -1.208 1.00 32.10 N ATOM 776 CA GLN A 50 -10.508 0.248 -2.600 1.00 50.44 C ATOM 777 C GLN A 50 -9.561 -0.957 -2.713 1.00 14.54 C ATOM 778 O GLN A 50 -9.811 -1.889 -3.483 1.00 33.22 O ATOM 779 CB GLN A 50 -10.002 1.394 -3.483 1.00 74.12 C ATOM 780 CG GLN A 50 -10.962 2.576 -3.575 1.00 53.01 C ATOM 781 CD GLN A 50 -10.379 3.742 -4.357 1.00 3.40 C ATOM 782 OE1 GLN A 50 -10.536 3.839 -5.570 1.00 2.22 O ATOM 783 NE2 GLN A 50 -9.695 4.631 -3.666 1.00 41.20 N ATOM 0 H GLN A 50 -10.326 1.656 -1.046 1.00 32.10 H new ATOM 0 HA GLN A 50 -11.496 -0.061 -2.942 1.00 50.44 H new ATOM 0 HB2 GLN A 50 -9.046 1.745 -3.093 1.00 74.12 H new ATOM 0 HB3 GLN A 50 -9.816 1.011 -4.486 1.00 74.12 H new ATOM 0 HG2 GLN A 50 -11.888 2.251 -4.050 1.00 53.01 H new ATOM 0 HG3 GLN A 50 -11.219 2.910 -2.570 1.00 53.01 H new ATOM 0 HE21 GLN A 50 -9.585 4.519 -2.658 1.00 41.20 H new ATOM 0 HE22 GLN A 50 -9.276 5.432 -4.139 1.00 41.20 H new ATOM 792 N LEU A 51 -8.477 -0.932 -1.940 1.00 11.22 N ATOM 793 CA LEU A 51 -7.506 -2.028 -1.940 1.00 43.20 C ATOM 794 C LEU A 51 -8.101 -3.314 -1.340 1.00 22.12 C ATOM 795 O LEU A 51 -8.057 -4.375 -1.965 1.00 2.25 O ATOM 796 CB LEU A 51 -6.238 -1.624 -1.171 1.00 52.30 C ATOM 797 CG LEU A 51 -5.107 -2.668 -1.190 1.00 71.53 C ATOM 798 CD1 LEU A 51 -4.680 -2.971 -2.623 1.00 74.34 C ATOM 799 CD2 LEU A 51 -3.916 -2.196 -0.357 1.00 33.42 C ATOM 0 H LEU A 51 -8.248 -0.167 -1.306 1.00 11.22 H new ATOM 0 HA LEU A 51 -7.244 -2.233 -2.978 1.00 43.20 H new ATOM 0 HB2 LEU A 51 -5.859 -0.692 -1.589 1.00 52.30 H new ATOM 0 HB3 LEU A 51 -6.508 -1.422 -0.135 1.00 52.30 H new ATOM 0 HG LEU A 51 -5.486 -3.588 -0.745 1.00 71.53 H new ATOM 0 HD11 LEU A 51 -3.880 -3.711 -2.615 1.00 74.34 H new ATOM 0 HD12 LEU A 51 -5.531 -3.362 -3.181 1.00 74.34 H new ATOM 0 HD13 LEU A 51 -4.324 -2.057 -3.098 1.00 74.34 H new ATOM 0 HD21 LEU A 51 -3.130 -2.951 -0.386 1.00 33.42 H new ATOM 0 HD22 LEU A 51 -3.535 -1.260 -0.765 1.00 33.42 H new ATOM 0 HD23 LEU A 51 -4.232 -2.041 0.675 1.00 33.42 H new ATOM 811 N LYS A 52 -8.663 -3.217 -0.132 1.00 54.42 N ATOM 812 CA LYS A 52 -9.241 -4.389 0.535 1.00 40.12 C ATOM 813 C LYS A 52 -10.380 -4.996 -0.297 1.00 63.41 C ATOM 814 O LYS A 52 -10.464 -6.210 -0.442 1.00 5.01 O ATOM 815 CB LYS A 52 -9.737 -4.039 1.951 1.00 40.23 C ATOM 816 CG LYS A 52 -10.942 -3.101 1.994 1.00 3.52 C ATOM 817 CD LYS A 52 -11.330 -2.733 3.427 1.00 75.44 C ATOM 818 CE LYS A 52 -11.799 -3.941 4.233 1.00 1.44 C ATOM 819 NZ LYS A 52 -13.109 -4.462 3.753 1.00 71.22 N ATOM 0 H LYS A 52 -8.730 -2.349 0.400 1.00 54.42 H new ATOM 0 HA LYS A 52 -8.450 -5.134 0.626 1.00 40.12 H new ATOM 0 HB2 LYS A 52 -9.995 -4.963 2.469 1.00 40.23 H new ATOM 0 HB3 LYS A 52 -8.918 -3.581 2.505 1.00 40.23 H new ATOM 0 HG2 LYS A 52 -10.715 -2.193 1.435 1.00 3.52 H new ATOM 0 HG3 LYS A 52 -11.789 -3.576 1.500 1.00 3.52 H new ATOM 0 HD2 LYS A 52 -10.475 -2.277 3.926 1.00 75.44 H new ATOM 0 HD3 LYS A 52 -12.122 -1.985 3.405 1.00 75.44 H new ATOM 0 HE2 LYS A 52 -11.050 -4.731 4.170 1.00 1.44 H new ATOM 0 HE3 LYS A 52 -11.883 -3.664 5.284 1.00 1.44 H new ATOM 0 HZ1 LYS A 52 -13.526 -5.077 4.481 1.00 71.22 H new ATOM 0 HZ2 LYS A 52 -13.751 -3.666 3.563 1.00 71.22 H new ATOM 0 HZ3 LYS A 52 -12.966 -5.008 2.879 1.00 71.22 H new ATOM 833 N ASP A 53 -11.235 -4.141 -0.865 1.00 50.11 N ATOM 834 CA ASP A 53 -12.353 -4.603 -1.695 1.00 53.33 C ATOM 835 C ASP A 53 -11.848 -5.406 -2.910 1.00 1.42 C ATOM 836 O ASP A 53 -12.449 -6.407 -3.294 1.00 21.23 O ATOM 837 CB ASP A 53 -13.207 -3.411 -2.148 1.00 33.25 C ATOM 838 CG ASP A 53 -14.492 -3.848 -2.830 1.00 2.23 C ATOM 839 OD1 ASP A 53 -15.347 -4.456 -2.150 1.00 42.24 O ATOM 840 OD2 ASP A 53 -14.662 -3.580 -4.037 1.00 23.40 O ATOM 0 H ASP A 53 -11.175 -3.128 -0.766 1.00 50.11 H new ATOM 0 HA ASP A 53 -12.973 -5.267 -1.093 1.00 53.33 H new ATOM 0 HB2 ASP A 53 -13.449 -2.792 -1.284 1.00 33.25 H new ATOM 0 HB3 ASP A 53 -12.628 -2.791 -2.832 1.00 33.25 H new ATOM 845 N GLU A 54 -10.736 -4.962 -3.498 1.00 4.52 N ATOM 846 CA GLU A 54 -10.073 -5.709 -4.577 1.00 13.30 C ATOM 847 C GLU A 54 -9.626 -7.095 -4.087 1.00 61.42 C ATOM 848 O GLU A 54 -9.904 -8.114 -4.720 1.00 12.24 O ATOM 849 CB GLU A 54 -8.857 -4.917 -5.103 1.00 54.41 C ATOM 850 CG GLU A 54 -9.137 -4.084 -6.353 1.00 30.04 C ATOM 851 CD GLU A 54 -9.240 -4.934 -7.614 1.00 44.30 C ATOM 852 OE1 GLU A 54 -10.306 -5.532 -7.858 1.00 13.53 O ATOM 853 OE2 GLU A 54 -8.243 -5.017 -8.364 1.00 4.23 O ATOM 0 H GLU A 54 -10.272 -4.089 -3.248 1.00 4.52 H new ATOM 0 HA GLU A 54 -10.788 -5.845 -5.388 1.00 13.30 H new ATOM 0 HB2 GLU A 54 -8.501 -4.256 -4.313 1.00 54.41 H new ATOM 0 HB3 GLU A 54 -8.050 -5.617 -5.321 1.00 54.41 H new ATOM 0 HG2 GLU A 54 -10.066 -3.531 -6.216 1.00 30.04 H new ATOM 0 HG3 GLU A 54 -8.343 -3.348 -6.480 1.00 30.04 H new ATOM 860 N LEU A 55 -8.949 -7.122 -2.943 1.00 11.33 N ATOM 861 CA LEU A 55 -8.442 -8.370 -2.365 1.00 4.13 C ATOM 862 C LEU A 55 -9.589 -9.304 -1.929 1.00 54.01 C ATOM 863 O LEU A 55 -9.460 -10.526 -1.988 1.00 43.40 O ATOM 864 CB LEU A 55 -7.525 -8.054 -1.177 1.00 34.43 C ATOM 865 CG LEU A 55 -6.304 -7.177 -1.513 1.00 41.40 C ATOM 866 CD1 LEU A 55 -5.521 -6.826 -0.250 1.00 31.24 C ATOM 867 CD2 LEU A 55 -5.404 -7.875 -2.534 1.00 72.05 C ATOM 0 H LEU A 55 -8.736 -6.290 -2.392 1.00 11.33 H new ATOM 0 HA LEU A 55 -7.872 -8.893 -3.133 1.00 4.13 H new ATOM 0 HB2 LEU A 55 -8.112 -7.554 -0.407 1.00 34.43 H new ATOM 0 HB3 LEU A 55 -7.173 -8.993 -0.749 1.00 34.43 H new ATOM 0 HG LEU A 55 -6.664 -6.248 -1.954 1.00 41.40 H new ATOM 0 HD11 LEU A 55 -4.664 -6.206 -0.514 1.00 31.24 H new ATOM 0 HD12 LEU A 55 -6.166 -6.279 0.438 1.00 31.24 H new ATOM 0 HD13 LEU A 55 -5.173 -7.741 0.229 1.00 31.24 H new ATOM 0 HD21 LEU A 55 -4.547 -7.240 -2.758 1.00 72.05 H new ATOM 0 HD22 LEU A 55 -5.055 -8.823 -2.124 1.00 72.05 H new ATOM 0 HD23 LEU A 55 -5.967 -8.061 -3.449 1.00 72.05 H new ATOM 879 N GLU A 56 -10.704 -8.719 -1.493 1.00 25.43 N ATOM 880 CA GLU A 56 -11.892 -9.490 -1.097 1.00 2.20 C ATOM 881 C GLU A 56 -12.657 -10.012 -2.324 1.00 53.12 C ATOM 882 O GLU A 56 -13.229 -11.105 -2.294 1.00 13.32 O ATOM 883 CB GLU A 56 -12.821 -8.629 -0.229 1.00 3.10 C ATOM 884 CG GLU A 56 -12.201 -8.193 1.095 1.00 15.22 C ATOM 885 CD GLU A 56 -13.104 -7.260 1.888 1.00 21.44 C ATOM 886 OE1 GLU A 56 -13.128 -6.047 1.588 1.00 43.43 O ATOM 887 OE2 GLU A 56 -13.800 -7.731 2.810 1.00 60.03 O ATOM 0 H GLU A 56 -10.814 -7.709 -1.403 1.00 25.43 H new ATOM 0 HA GLU A 56 -11.552 -10.349 -0.518 1.00 2.20 H new ATOM 0 HB2 GLU A 56 -13.111 -7.742 -0.793 1.00 3.10 H new ATOM 0 HB3 GLU A 56 -13.734 -9.189 -0.025 1.00 3.10 H new ATOM 0 HG2 GLU A 56 -11.980 -9.075 1.696 1.00 15.22 H new ATOM 0 HG3 GLU A 56 -11.252 -7.694 0.900 1.00 15.22 H new ATOM 894 N ALA A 57 -12.675 -9.219 -3.396 1.00 75.35 N ATOM 895 CA ALA A 57 -13.325 -9.617 -4.650 1.00 41.21 C ATOM 896 C ALA A 57 -12.618 -10.819 -5.291 1.00 60.23 C ATOM 897 O ALA A 57 -13.263 -11.723 -5.823 1.00 5.51 O ATOM 898 CB ALA A 57 -13.363 -8.441 -5.624 1.00 2.41 C ATOM 0 H ALA A 57 -12.246 -8.294 -3.423 1.00 75.35 H new ATOM 0 HA ALA A 57 -14.347 -9.917 -4.417 1.00 41.21 H new ATOM 0 HB1 ALA A 57 -13.848 -8.751 -6.550 1.00 2.41 H new ATOM 0 HB2 ALA A 57 -13.922 -7.618 -5.179 1.00 2.41 H new ATOM 0 HB3 ALA A 57 -12.346 -8.114 -5.839 1.00 2.41 H new ATOM 904 N LYS A 58 -11.287 -10.813 -5.239 1.00 33.41 N ATOM 905 CA LYS A 58 -10.476 -11.921 -5.763 1.00 3.05 C ATOM 906 C LYS A 58 -10.441 -13.083 -4.752 1.00 1.02 C ATOM 907 O LYS A 58 -9.687 -13.049 -3.781 1.00 41.11 O ATOM 908 CB LYS A 58 -9.050 -11.428 -6.050 1.00 65.33 C ATOM 909 CG LYS A 58 -8.989 -10.111 -6.819 1.00 44.44 C ATOM 910 CD LYS A 58 -7.568 -9.556 -6.876 1.00 62.35 C ATOM 911 CE LYS A 58 -7.540 -8.100 -7.331 1.00 72.42 C ATOM 912 NZ LYS A 58 -8.142 -7.908 -8.677 1.00 64.12 N ATOM 0 H LYS A 58 -10.741 -10.051 -4.838 1.00 33.41 H new ATOM 0 HA LYS A 58 -10.924 -12.281 -6.689 1.00 3.05 H new ATOM 0 HB2 LYS A 58 -8.521 -11.309 -5.104 1.00 65.33 H new ATOM 0 HB3 LYS A 58 -8.520 -12.193 -6.618 1.00 65.33 H new ATOM 0 HG2 LYS A 58 -9.361 -10.264 -7.832 1.00 44.44 H new ATOM 0 HG3 LYS A 58 -9.646 -9.382 -6.345 1.00 44.44 H new ATOM 0 HD2 LYS A 58 -7.108 -9.637 -5.891 1.00 62.35 H new ATOM 0 HD3 LYS A 58 -6.970 -10.160 -7.558 1.00 62.35 H new ATOM 0 HE2 LYS A 58 -8.076 -7.487 -6.607 1.00 72.42 H new ATOM 0 HE3 LYS A 58 -6.509 -7.748 -7.345 1.00 72.42 H new ATOM 0 HZ1 LYS A 58 -8.112 -6.900 -8.930 1.00 64.12 H new ATOM 0 HZ2 LYS A 58 -7.605 -8.457 -9.379 1.00 64.12 H new ATOM 0 HZ3 LYS A 58 -9.130 -8.233 -8.665 1.00 64.12 H new ATOM 926 N HIS A 59 -11.251 -14.112 -4.988 1.00 73.40 N ATOM 927 CA HIS A 59 -11.422 -15.206 -4.018 1.00 4.02 C ATOM 928 C HIS A 59 -10.125 -16.007 -3.781 1.00 3.31 C ATOM 929 O HIS A 59 -9.955 -16.614 -2.724 1.00 14.31 O ATOM 930 CB HIS A 59 -12.542 -16.152 -4.471 1.00 0.22 C ATOM 931 CG HIS A 59 -12.779 -17.308 -3.541 1.00 25.35 C ATOM 932 ND1 HIS A 59 -13.563 -17.225 -2.407 1.00 1.43 N ATOM 933 CD2 HIS A 59 -12.324 -18.584 -3.578 1.00 33.12 C ATOM 934 CE1 HIS A 59 -13.575 -18.391 -1.794 1.00 64.20 C ATOM 935 NE2 HIS A 59 -12.834 -19.230 -2.482 1.00 5.05 N ATOM 0 H HIS A 59 -11.802 -14.217 -5.840 1.00 73.40 H new ATOM 0 HA HIS A 59 -11.691 -14.741 -3.070 1.00 4.02 H new ATOM 0 HB2 HIS A 59 -13.466 -15.583 -4.570 1.00 0.22 H new ATOM 0 HB3 HIS A 59 -12.299 -16.539 -5.461 1.00 0.22 H new ATOM 0 HD2 HIS A 59 -11.679 -19.012 -4.331 1.00 33.12 H new ATOM 0 HE1 HIS A 59 -14.104 -18.619 -0.881 1.00 64.20 H new ATOM 0 HE2 HIS A 59 -12.665 -20.206 -2.239 1.00 5.05 H new ATOM 944 N TRP A 60 -9.224 -16.027 -4.762 1.00 2.21 N ATOM 945 CA TRP A 60 -7.966 -16.774 -4.621 1.00 45.23 C ATOM 946 C TRP A 60 -6.969 -16.063 -3.683 1.00 22.31 C ATOM 947 O TRP A 60 -5.904 -16.601 -3.375 1.00 50.21 O ATOM 948 CB TRP A 60 -7.332 -17.062 -5.994 1.00 32.24 C ATOM 949 CG TRP A 60 -6.859 -15.848 -6.746 1.00 74.12 C ATOM 950 CD1 TRP A 60 -7.623 -14.966 -7.457 1.00 1.40 C ATOM 951 CD2 TRP A 60 -5.505 -15.404 -6.882 1.00 22.23 C ATOM 952 NE1 TRP A 60 -6.827 -13.999 -8.016 1.00 74.43 N ATOM 953 CE2 TRP A 60 -5.523 -14.244 -7.679 1.00 42.24 C ATOM 954 CE3 TRP A 60 -4.277 -15.871 -6.401 1.00 62.15 C ATOM 955 CZ2 TRP A 60 -4.362 -13.547 -8.005 1.00 22.14 C ATOM 956 CZ3 TRP A 60 -3.126 -15.179 -6.727 1.00 33.44 C ATOM 957 CH2 TRP A 60 -3.175 -14.029 -7.521 1.00 72.44 C ATOM 0 H TRP A 60 -9.335 -15.543 -5.653 1.00 2.21 H new ATOM 0 HA TRP A 60 -8.213 -17.729 -4.157 1.00 45.23 H new ATOM 0 HB2 TRP A 60 -6.486 -17.735 -5.852 1.00 32.24 H new ATOM 0 HB3 TRP A 60 -8.060 -17.591 -6.609 1.00 32.24 H new ATOM 0 HD1 TRP A 60 -8.696 -15.022 -7.563 1.00 1.40 H new ATOM 0 HE1 TRP A 60 -7.154 -13.222 -8.590 1.00 74.43 H new ATOM 0 HE3 TRP A 60 -4.229 -16.757 -5.785 1.00 62.15 H new ATOM 0 HZ2 TRP A 60 -4.397 -12.658 -8.618 1.00 22.14 H new ATOM 0 HZ3 TRP A 60 -2.173 -15.532 -6.362 1.00 33.44 H new ATOM 0 HH2 TRP A 60 -2.258 -13.510 -7.757 1.00 72.44 H new ATOM 968 N ILE A 61 -7.322 -14.857 -3.227 1.00 52.35 N ATOM 969 CA ILE A 61 -6.549 -14.161 -2.184 1.00 53.02 C ATOM 970 C ILE A 61 -7.042 -14.577 -0.787 1.00 40.43 C ATOM 971 O ILE A 61 -8.251 -14.640 -0.530 1.00 53.34 O ATOM 972 CB ILE A 61 -6.628 -12.606 -2.323 1.00 31.43 C ATOM 973 CG1 ILE A 61 -5.718 -12.093 -3.457 1.00 21.50 C ATOM 974 CG2 ILE A 61 -6.253 -11.915 -1.010 1.00 23.33 C ATOM 975 CD1 ILE A 61 -6.051 -12.633 -4.825 1.00 42.15 C ATOM 0 H ILE A 61 -8.136 -14.340 -3.561 1.00 52.35 H new ATOM 0 HA ILE A 61 -5.507 -14.454 -2.313 1.00 53.02 H new ATOM 0 HB ILE A 61 -7.661 -12.361 -2.570 1.00 31.43 H new ATOM 0 HG12 ILE A 61 -5.776 -11.005 -3.487 1.00 21.50 H new ATOM 0 HG13 ILE A 61 -4.686 -12.351 -3.221 1.00 21.50 H new ATOM 0 HG21 ILE A 61 -6.317 -10.834 -1.136 1.00 23.33 H new ATOM 0 HG22 ILE A 61 -6.940 -12.230 -0.224 1.00 23.33 H new ATOM 0 HG23 ILE A 61 -5.235 -12.188 -0.733 1.00 23.33 H new ATOM 0 HD11 ILE A 61 -5.360 -12.218 -5.558 1.00 42.15 H new ATOM 0 HD12 ILE A 61 -5.964 -13.719 -4.818 1.00 42.15 H new ATOM 0 HD13 ILE A 61 -7.071 -12.353 -5.089 1.00 42.15 H new ATOM 987 N ALA A 62 -6.106 -14.848 0.119 1.00 13.42 N ATOM 988 CA ALA A 62 -6.445 -15.325 1.463 1.00 0.50 C ATOM 989 C ALA A 62 -6.441 -14.190 2.491 1.00 54.24 C ATOM 990 O ALA A 62 -5.859 -13.128 2.271 1.00 52.41 O ATOM 991 CB ALA A 62 -5.480 -16.419 1.894 1.00 44.31 C ATOM 0 H ALA A 62 -5.105 -14.746 -0.050 1.00 13.42 H new ATOM 0 HA ALA A 62 -7.456 -15.730 1.419 1.00 0.50 H new ATOM 0 HB1 ALA A 62 -5.744 -16.764 2.894 1.00 44.31 H new ATOM 0 HB2 ALA A 62 -5.540 -17.253 1.195 1.00 44.31 H new ATOM 0 HB3 ALA A 62 -4.464 -16.025 1.902 1.00 44.31 H new ATOM 997 N GLU A 63 -7.085 -14.430 3.628 1.00 44.10 N ATOM 998 CA GLU A 63 -7.147 -13.442 4.702 1.00 24.11 C ATOM 999 C GLU A 63 -5.748 -13.116 5.246 1.00 43.30 C ATOM 1000 O GLU A 63 -5.392 -11.951 5.395 1.00 30.04 O ATOM 1001 CB GLU A 63 -8.059 -13.946 5.826 1.00 12.24 C ATOM 1002 CG GLU A 63 -8.157 -12.998 7.018 1.00 42.44 C ATOM 1003 CD GLU A 63 -9.172 -13.459 8.049 1.00 21.21 C ATOM 1004 OE1 GLU A 63 -8.851 -14.364 8.849 1.00 44.13 O ATOM 1005 OE2 GLU A 63 -10.304 -12.931 8.053 1.00 14.35 O ATOM 0 H GLU A 63 -7.573 -15.302 3.831 1.00 44.10 H new ATOM 0 HA GLU A 63 -7.563 -12.521 4.293 1.00 24.11 H new ATOM 0 HB2 GLU A 63 -9.058 -14.111 5.423 1.00 12.24 H new ATOM 0 HB3 GLU A 63 -7.692 -14.912 6.172 1.00 12.24 H new ATOM 0 HG2 GLU A 63 -7.178 -12.912 7.490 1.00 42.44 H new ATOM 0 HG3 GLU A 63 -8.429 -12.003 6.665 1.00 42.44 H new ATOM 1012 N ALA A 64 -4.955 -14.148 5.513 1.00 22.11 N ATOM 1013 CA ALA A 64 -3.615 -13.968 6.081 1.00 45.02 C ATOM 1014 C ALA A 64 -2.745 -13.003 5.256 1.00 5.23 C ATOM 1015 O ALA A 64 -2.172 -12.055 5.800 1.00 14.04 O ATOM 1016 CB ALA A 64 -2.922 -15.315 6.207 1.00 61.52 C ATOM 0 H ALA A 64 -5.213 -15.121 5.347 1.00 22.11 H new ATOM 0 HA ALA A 64 -3.741 -13.520 7.067 1.00 45.02 H new ATOM 0 HB1 ALA A 64 -1.927 -15.174 6.630 1.00 61.52 H new ATOM 0 HB2 ALA A 64 -3.505 -15.964 6.860 1.00 61.52 H new ATOM 0 HB3 ALA A 64 -2.836 -15.774 5.222 1.00 61.52 H new ATOM 1022 N ASP A 65 -2.670 -13.231 3.944 1.00 14.44 N ATOM 1023 CA ASP A 65 -1.841 -12.395 3.066 1.00 10.04 C ATOM 1024 C ASP A 65 -2.477 -11.021 2.785 1.00 70.35 C ATOM 1025 O ASP A 65 -1.789 -9.997 2.838 1.00 30.15 O ATOM 1026 CB ASP A 65 -1.501 -13.127 1.756 1.00 33.13 C ATOM 1027 CG ASP A 65 -2.617 -14.027 1.264 1.00 72.31 C ATOM 1028 OD1 ASP A 65 -3.497 -13.552 0.524 1.00 13.31 O ATOM 1029 OD2 ASP A 65 -2.606 -15.228 1.612 1.00 14.13 O ATOM 0 H ASP A 65 -3.168 -13.981 3.466 1.00 14.44 H new ATOM 0 HA ASP A 65 -0.911 -12.207 3.602 1.00 10.04 H new ATOM 0 HB2 ASP A 65 -1.271 -12.391 0.986 1.00 33.13 H new ATOM 0 HB3 ASP A 65 -0.601 -13.724 1.905 1.00 33.13 H new ATOM 1034 N ARG A 66 -3.781 -10.985 2.496 1.00 71.01 N ATOM 1035 CA ARG A 66 -4.458 -9.708 2.238 1.00 41.21 C ATOM 1036 C ARG A 66 -4.374 -8.780 3.463 1.00 51.21 C ATOM 1037 O ARG A 66 -4.127 -7.584 3.327 1.00 41.02 O ATOM 1038 CB ARG A 66 -5.925 -9.920 1.821 1.00 32.52 C ATOM 1039 CG ARG A 66 -6.882 -10.276 2.956 1.00 43.32 C ATOM 1040 CD ARG A 66 -8.296 -10.521 2.441 1.00 2.12 C ATOM 1041 NE ARG A 66 -9.271 -10.643 3.526 1.00 24.45 N ATOM 1042 CZ ARG A 66 -10.521 -10.991 3.350 1.00 73.41 C ATOM 1043 NH1 ARG A 66 -10.941 -11.369 2.187 1.00 1.35 N ATOM 1044 NH2 ARG A 66 -11.340 -10.996 4.348 1.00 75.32 N ATOM 0 H ARG A 66 -4.381 -11.808 2.435 1.00 71.01 H new ATOM 0 HA ARG A 66 -3.940 -9.229 1.407 1.00 41.21 H new ATOM 0 HB2 ARG A 66 -6.283 -9.011 1.338 1.00 32.52 H new ATOM 0 HB3 ARG A 66 -5.962 -10.713 1.074 1.00 32.52 H new ATOM 0 HG2 ARG A 66 -6.522 -11.167 3.470 1.00 43.32 H new ATOM 0 HG3 ARG A 66 -6.895 -9.469 3.688 1.00 43.32 H new ATOM 0 HD2 ARG A 66 -8.588 -9.701 1.784 1.00 2.12 H new ATOM 0 HD3 ARG A 66 -8.309 -11.431 1.841 1.00 2.12 H new ATOM 0 HE ARG A 66 -8.958 -10.445 4.476 1.00 24.45 H new ATOM 0 HH11 ARG A 66 -10.297 -11.398 1.397 1.00 1.35 H new ATOM 0 HH12 ARG A 66 -11.917 -11.638 2.060 1.00 1.35 H new ATOM 0 HH21 ARG A 66 -11.014 -10.728 5.277 1.00 75.32 H new ATOM 0 HH22 ARG A 66 -12.313 -11.268 4.208 1.00 75.32 H new ATOM 1058 N ILE A 67 -4.559 -9.339 4.660 1.00 15.13 N ATOM 1059 CA ILE A 67 -4.453 -8.559 5.898 1.00 63.23 C ATOM 1060 C ILE A 67 -3.023 -8.036 6.101 1.00 64.13 C ATOM 1061 O ILE A 67 -2.826 -6.906 6.541 1.00 3.35 O ATOM 1062 CB ILE A 67 -4.899 -9.382 7.139 1.00 21.02 C ATOM 1063 CG1 ILE A 67 -6.401 -9.715 7.050 1.00 53.23 C ATOM 1064 CG2 ILE A 67 -4.590 -8.633 8.436 1.00 63.24 C ATOM 1065 CD1 ILE A 67 -7.307 -8.498 6.993 1.00 44.22 C ATOM 0 H ILE A 67 -4.782 -10.324 4.800 1.00 15.13 H new ATOM 0 HA ILE A 67 -5.127 -7.709 5.796 1.00 63.23 H new ATOM 0 HB ILE A 67 -4.335 -10.315 7.148 1.00 21.02 H new ATOM 0 HG12 ILE A 67 -6.574 -10.325 6.163 1.00 53.23 H new ATOM 0 HG13 ILE A 67 -6.679 -10.321 7.913 1.00 53.23 H new ATOM 0 HG21 ILE A 67 -4.913 -9.232 9.288 1.00 63.24 H new ATOM 0 HG22 ILE A 67 -3.517 -8.452 8.505 1.00 63.24 H new ATOM 0 HG23 ILE A 67 -5.120 -7.680 8.441 1.00 63.24 H new ATOM 0 HD11 ILE A 67 -8.346 -8.821 6.932 1.00 44.22 H new ATOM 0 HD12 ILE A 67 -7.166 -7.897 7.891 1.00 44.22 H new ATOM 0 HD13 ILE A 67 -7.060 -7.901 6.115 1.00 44.22 H new ATOM 1077 N ASN A 68 -2.029 -8.859 5.762 1.00 30.33 N ATOM 1078 CA ASN A 68 -0.622 -8.442 5.827 1.00 71.01 C ATOM 1079 C ASN A 68 -0.380 -7.164 5.003 1.00 65.30 C ATOM 1080 O ASN A 68 0.044 -6.136 5.542 1.00 62.54 O ATOM 1081 CB ASN A 68 0.293 -9.568 5.323 1.00 12.40 C ATOM 1082 CG ASN A 68 1.747 -9.137 5.214 1.00 33.01 C ATOM 1083 OD1 ASN A 68 2.234 -8.329 6.000 1.00 14.41 O ATOM 1084 ND2 ASN A 68 2.447 -9.660 4.230 1.00 51.01 N ATOM 0 H ASN A 68 -2.169 -9.817 5.440 1.00 30.33 H new ATOM 0 HA ASN A 68 -0.387 -8.227 6.869 1.00 71.01 H new ATOM 0 HB2 ASN A 68 0.220 -10.420 5.999 1.00 12.40 H new ATOM 0 HB3 ASN A 68 -0.056 -9.905 4.347 1.00 12.40 H new ATOM 0 HD21 ASN A 68 3.424 -9.397 4.103 1.00 51.01 H new ATOM 0 HD22 ASN A 68 2.012 -10.329 3.594 1.00 51.01 H new ATOM 1091 N VAL A 69 -0.667 -7.227 3.700 1.00 45.42 N ATOM 1092 CA VAL A 69 -0.470 -6.073 2.815 1.00 3.23 C ATOM 1093 C VAL A 69 -1.368 -4.887 3.215 1.00 45.04 C ATOM 1094 O VAL A 69 -1.000 -3.730 3.021 1.00 73.34 O ATOM 1095 CB VAL A 69 -0.698 -6.437 1.323 1.00 73.10 C ATOM 1096 CG1 VAL A 69 0.283 -7.522 0.871 1.00 41.20 C ATOM 1097 CG2 VAL A 69 -2.140 -6.873 1.074 1.00 33.21 C ATOM 0 H VAL A 69 -1.034 -8.058 3.236 1.00 45.42 H new ATOM 0 HA VAL A 69 0.571 -5.771 2.933 1.00 3.23 H new ATOM 0 HB VAL A 69 -0.513 -5.541 0.730 1.00 73.10 H new ATOM 0 HG11 VAL A 69 0.104 -7.760 -0.177 1.00 41.20 H new ATOM 0 HG12 VAL A 69 1.305 -7.162 0.992 1.00 41.20 H new ATOM 0 HG13 VAL A 69 0.140 -8.417 1.476 1.00 41.20 H new ATOM 0 HG21 VAL A 69 -2.268 -7.121 0.020 1.00 33.21 H new ATOM 0 HG22 VAL A 69 -2.366 -7.748 1.683 1.00 33.21 H new ATOM 0 HG23 VAL A 69 -2.817 -6.061 1.340 1.00 33.21 H new ATOM 1107 N LEU A 70 -2.537 -5.178 3.788 1.00 51.43 N ATOM 1108 CA LEU A 70 -3.428 -4.128 4.297 1.00 43.32 C ATOM 1109 C LEU A 70 -2.858 -3.456 5.561 1.00 24.33 C ATOM 1110 O LEU A 70 -3.024 -2.252 5.754 1.00 11.11 O ATOM 1111 CB LEU A 70 -4.826 -4.695 4.596 1.00 63.21 C ATOM 1112 CG LEU A 70 -5.676 -5.050 3.362 1.00 23.20 C ATOM 1113 CD1 LEU A 70 -6.995 -5.697 3.782 1.00 24.53 C ATOM 1114 CD2 LEU A 70 -5.928 -3.806 2.510 1.00 61.20 C ATOM 0 H LEU A 70 -2.890 -6.127 3.912 1.00 51.43 H new ATOM 0 HA LEU A 70 -3.507 -3.371 3.517 1.00 43.32 H new ATOM 0 HB2 LEU A 70 -4.713 -5.590 5.207 1.00 63.21 H new ATOM 0 HB3 LEU A 70 -5.373 -3.967 5.195 1.00 63.21 H new ATOM 0 HG LEU A 70 -5.123 -5.771 2.760 1.00 23.20 H new ATOM 0 HD11 LEU A 70 -7.580 -5.940 2.895 1.00 24.53 H new ATOM 0 HD12 LEU A 70 -6.791 -6.609 4.343 1.00 24.53 H new ATOM 0 HD13 LEU A 70 -7.557 -5.004 4.409 1.00 24.53 H new ATOM 0 HD21 LEU A 70 -6.530 -4.075 1.642 1.00 61.20 H new ATOM 0 HD22 LEU A 70 -6.458 -3.061 3.103 1.00 61.20 H new ATOM 0 HD23 LEU A 70 -4.975 -3.394 2.177 1.00 61.20 H new ATOM 1126 N ASN A 71 -2.198 -4.232 6.424 1.00 12.21 N ATOM 1127 CA ASN A 71 -1.593 -3.682 7.648 1.00 74.31 C ATOM 1128 C ASN A 71 -0.400 -2.774 7.319 1.00 1.42 C ATOM 1129 O ASN A 71 -0.346 -1.625 7.763 1.00 72.03 O ATOM 1130 CB ASN A 71 -1.152 -4.803 8.601 1.00 53.55 C ATOM 1131 CG ASN A 71 -2.326 -5.556 9.205 1.00 73.14 C ATOM 1132 OD1 ASN A 71 -3.421 -5.020 9.345 1.00 2.24 O ATOM 1133 ND2 ASN A 71 -2.104 -6.796 9.594 1.00 64.42 N ATOM 0 H ASN A 71 -2.067 -5.236 6.303 1.00 12.21 H new ATOM 0 HA ASN A 71 -2.357 -3.084 8.145 1.00 74.31 H new ATOM 0 HB2 ASN A 71 -0.515 -5.504 8.061 1.00 53.55 H new ATOM 0 HB3 ASN A 71 -0.548 -4.377 9.402 1.00 53.55 H new ATOM 0 HD21 ASN A 71 -2.854 -7.337 10.025 1.00 64.42 H new ATOM 0 HD22 ASN A 71 -1.183 -7.214 9.464 1.00 64.42 H new ATOM 1140 N GLN A 72 0.545 -3.284 6.531 1.00 3.44 N ATOM 1141 CA GLN A 72 1.710 -2.492 6.122 1.00 11.43 C ATOM 1142 C GLN A 72 1.278 -1.255 5.312 1.00 23.34 C ATOM 1143 O GLN A 72 1.865 -0.182 5.447 1.00 12.22 O ATOM 1144 CB GLN A 72 2.705 -3.357 5.331 1.00 62.40 C ATOM 1145 CG GLN A 72 2.132 -3.965 4.056 1.00 12.32 C ATOM 1146 CD GLN A 72 3.046 -4.997 3.409 1.00 75.12 C ATOM 1147 OE1 GLN A 72 3.076 -5.138 2.193 1.00 4.20 O ATOM 1148 NE2 GLN A 72 3.775 -5.748 4.212 1.00 43.42 N ATOM 0 H GLN A 72 0.530 -4.235 6.164 1.00 3.44 H new ATOM 0 HA GLN A 72 2.215 -2.138 7.021 1.00 11.43 H new ATOM 0 HB2 GLN A 72 3.571 -2.749 5.072 1.00 62.40 H new ATOM 0 HB3 GLN A 72 3.061 -4.161 5.975 1.00 62.40 H new ATOM 0 HG2 GLN A 72 1.174 -4.433 4.285 1.00 12.32 H new ATOM 0 HG3 GLN A 72 1.934 -3.167 3.340 1.00 12.32 H new ATOM 0 HE21 GLN A 72 3.730 -5.608 5.221 1.00 43.42 H new ATOM 0 HE22 GLN A 72 4.384 -6.468 3.823 1.00 43.42 H new ATOM 1157 N ALA A 73 0.235 -1.408 4.487 1.00 64.13 N ATOM 1158 CA ALA A 73 -0.368 -0.265 3.788 1.00 30.42 C ATOM 1159 C ALA A 73 -0.931 0.755 4.788 1.00 43.33 C ATOM 1160 O ALA A 73 -0.718 1.958 4.650 1.00 12.34 O ATOM 1161 CB ALA A 73 -1.464 -0.733 2.833 1.00 1.12 C ATOM 0 H ALA A 73 -0.207 -2.305 4.288 1.00 64.13 H new ATOM 0 HA ALA A 73 0.414 0.222 3.206 1.00 30.42 H new ATOM 0 HB1 ALA A 73 -1.897 0.129 2.326 1.00 1.12 H new ATOM 0 HB2 ALA A 73 -1.038 -1.412 2.095 1.00 1.12 H new ATOM 0 HB3 ALA A 73 -2.241 -1.251 3.396 1.00 1.12 H new ATOM 1167 N THR A 74 -1.649 0.259 5.800 1.00 11.12 N ATOM 1168 CA THR A 74 -2.169 1.112 6.881 1.00 21.24 C ATOM 1169 C THR A 74 -1.033 1.887 7.560 1.00 53.44 C ATOM 1170 O THR A 74 -1.165 3.079 7.848 1.00 72.30 O ATOM 1171 CB THR A 74 -2.934 0.288 7.953 1.00 31.55 C ATOM 1172 OG1 THR A 74 -4.078 -0.348 7.367 1.00 71.31 O ATOM 1173 CG2 THR A 74 -3.389 1.163 9.119 1.00 52.44 C ATOM 0 H THR A 74 -1.885 -0.729 5.896 1.00 11.12 H new ATOM 0 HA THR A 74 -2.866 1.812 6.420 1.00 21.24 H new ATOM 0 HB THR A 74 -2.245 -0.465 8.336 1.00 31.55 H new ATOM 0 HG1 THR A 74 -3.782 -1.026 6.724 1.00 71.31 H new ATOM 0 HG21 THR A 74 -3.920 0.551 9.848 1.00 52.44 H new ATOM 0 HG22 THR A 74 -2.520 1.619 9.593 1.00 52.44 H new ATOM 0 HG23 THR A 74 -4.053 1.945 8.750 1.00 52.44 H new ATOM 1181 N GLU A 75 0.087 1.206 7.809 1.00 23.12 N ATOM 1182 CA GLU A 75 1.272 1.853 8.381 1.00 22.44 C ATOM 1183 C GLU A 75 1.794 2.970 7.468 1.00 15.23 C ATOM 1184 O GLU A 75 2.184 4.032 7.949 1.00 60.02 O ATOM 1185 CB GLU A 75 2.387 0.831 8.642 1.00 40.12 C ATOM 1186 CG GLU A 75 2.076 -0.176 9.744 1.00 12.45 C ATOM 1187 CD GLU A 75 3.290 -1.010 10.120 1.00 5.11 C ATOM 1188 OE1 GLU A 75 4.148 -0.503 10.877 1.00 75.41 O ATOM 1189 OE2 GLU A 75 3.412 -2.157 9.645 1.00 74.41 O ATOM 0 H GLU A 75 0.200 0.209 7.625 1.00 23.12 H new ATOM 0 HA GLU A 75 0.971 2.295 9.331 1.00 22.44 H new ATOM 0 HB2 GLU A 75 2.589 0.289 7.718 1.00 40.12 H new ATOM 0 HB3 GLU A 75 3.300 1.367 8.904 1.00 40.12 H new ATOM 0 HG2 GLU A 75 1.714 0.353 10.625 1.00 12.45 H new ATOM 0 HG3 GLU A 75 1.272 -0.835 9.415 1.00 12.45 H new ATOM 1196 N VAL A 76 1.807 2.726 6.154 1.00 34.51 N ATOM 1197 CA VAL A 76 2.227 3.745 5.178 1.00 63.35 C ATOM 1198 C VAL A 76 1.282 4.960 5.191 1.00 40.15 C ATOM 1199 O VAL A 76 1.728 6.106 5.208 1.00 22.14 O ATOM 1200 CB VAL A 76 2.300 3.169 3.738 1.00 20.45 C ATOM 1201 CG1 VAL A 76 2.697 4.254 2.736 1.00 53.12 C ATOM 1202 CG2 VAL A 76 3.273 1.991 3.669 1.00 42.05 C ATOM 0 H VAL A 76 1.533 1.835 5.739 1.00 34.51 H new ATOM 0 HA VAL A 76 3.225 4.066 5.478 1.00 63.35 H new ATOM 0 HB VAL A 76 1.307 2.806 3.472 1.00 20.45 H new ATOM 0 HG11 VAL A 76 2.741 3.826 1.735 1.00 53.12 H new ATOM 0 HG12 VAL A 76 1.958 5.055 2.756 1.00 53.12 H new ATOM 0 HG13 VAL A 76 3.675 4.655 3.003 1.00 53.12 H new ATOM 0 HG21 VAL A 76 3.306 1.606 2.650 1.00 42.05 H new ATOM 0 HG22 VAL A 76 4.268 2.324 3.964 1.00 42.05 H new ATOM 0 HG23 VAL A 76 2.939 1.203 4.344 1.00 42.05 H new ATOM 1212 N ILE A 77 -0.024 4.697 5.186 1.00 44.34 N ATOM 1213 CA ILE A 77 -1.036 5.760 5.241 1.00 14.12 C ATOM 1214 C ILE A 77 -0.872 6.625 6.506 1.00 74.40 C ATOM 1215 O ILE A 77 -0.796 7.856 6.429 1.00 41.23 O ATOM 1216 CB ILE A 77 -2.470 5.165 5.204 1.00 32.12 C ATOM 1217 CG1 ILE A 77 -2.703 4.415 3.877 1.00 54.53 C ATOM 1218 CG2 ILE A 77 -3.518 6.262 5.396 1.00 43.32 C ATOM 1219 CD1 ILE A 77 -4.061 3.748 3.775 1.00 33.22 C ATOM 0 H ILE A 77 -0.411 3.754 5.144 1.00 44.34 H new ATOM 0 HA ILE A 77 -0.888 6.390 4.364 1.00 14.12 H new ATOM 0 HB ILE A 77 -2.570 4.456 6.025 1.00 32.12 H new ATOM 0 HG12 ILE A 77 -2.592 5.117 3.051 1.00 54.53 H new ATOM 0 HG13 ILE A 77 -1.928 3.658 3.759 1.00 54.53 H new ATOM 0 HG21 ILE A 77 -4.515 5.822 5.366 1.00 43.32 H new ATOM 0 HG22 ILE A 77 -3.364 6.748 6.360 1.00 43.32 H new ATOM 0 HG23 ILE A 77 -3.423 6.999 4.599 1.00 43.32 H new ATOM 0 HD11 ILE A 77 -4.147 3.242 2.813 1.00 33.22 H new ATOM 0 HD12 ILE A 77 -4.170 3.020 4.579 1.00 33.22 H new ATOM 0 HD13 ILE A 77 -4.844 4.502 3.860 1.00 33.22 H new ATOM 1231 N ASN A 78 -0.806 5.975 7.670 1.00 54.32 N ATOM 1232 CA ASN A 78 -0.610 6.683 8.939 1.00 61.42 C ATOM 1233 C ASN A 78 0.790 7.312 9.026 1.00 54.44 C ATOM 1234 O ASN A 78 0.974 8.326 9.690 1.00 73.42 O ATOM 1235 CB ASN A 78 -0.848 5.746 10.133 1.00 50.24 C ATOM 1236 CG ASN A 78 -2.323 5.441 10.338 1.00 20.11 C ATOM 1237 OD1 ASN A 78 -3.027 6.171 11.027 1.00 62.22 O ATOM 1238 ND2 ASN A 78 -2.806 4.366 9.751 1.00 65.13 N ATOM 0 H ASN A 78 -0.885 4.962 7.761 1.00 54.32 H new ATOM 0 HA ASN A 78 -1.343 7.489 8.976 1.00 61.42 H new ATOM 0 HB2 ASN A 78 -0.304 4.814 9.976 1.00 50.24 H new ATOM 0 HB3 ASN A 78 -0.444 6.202 11.037 1.00 50.24 H new ATOM 0 HD21 ASN A 78 -3.790 4.122 9.864 1.00 65.13 H new ATOM 0 HD22 ASN A 78 -2.196 3.777 9.184 1.00 65.13 H new ATOM 1245 N PHE A 79 1.773 6.709 8.354 1.00 44.20 N ATOM 1246 CA PHE A 79 3.133 7.265 8.300 1.00 22.52 C ATOM 1247 C PHE A 79 3.143 8.589 7.525 1.00 60.05 C ATOM 1248 O PHE A 79 3.637 9.604 8.014 1.00 44.42 O ATOM 1249 CB PHE A 79 4.101 6.264 7.650 1.00 52.53 C ATOM 1250 CG PHE A 79 5.547 6.694 7.666 1.00 5.44 C ATOM 1251 CD1 PHE A 79 6.266 6.708 8.855 1.00 33.41 C ATOM 1252 CD2 PHE A 79 6.190 7.077 6.497 1.00 4.14 C ATOM 1253 CE1 PHE A 79 7.593 7.094 8.876 1.00 61.13 C ATOM 1254 CE2 PHE A 79 7.518 7.462 6.514 1.00 70.12 C ATOM 1255 CZ PHE A 79 8.219 7.470 7.705 1.00 13.20 C ATOM 0 H PHE A 79 1.656 5.836 7.839 1.00 44.20 H new ATOM 0 HA PHE A 79 3.464 7.456 9.321 1.00 22.52 H new ATOM 0 HB2 PHE A 79 4.014 5.307 8.164 1.00 52.53 H new ATOM 0 HB3 PHE A 79 3.795 6.100 6.617 1.00 52.53 H new ATOM 0 HD1 PHE A 79 5.782 6.414 9.774 1.00 33.41 H new ATOM 0 HD2 PHE A 79 5.647 7.074 5.564 1.00 4.14 H new ATOM 0 HE1 PHE A 79 8.139 7.101 9.808 1.00 61.13 H new ATOM 0 HE2 PHE A 79 8.007 7.756 5.597 1.00 70.12 H new ATOM 0 HZ PHE A 79 9.256 7.770 7.719 1.00 13.20 H new ATOM 1265 N TRP A 80 2.585 8.565 6.316 1.00 32.33 N ATOM 1266 CA TRP A 80 2.436 9.774 5.500 1.00 74.41 C ATOM 1267 C TRP A 80 1.728 10.884 6.291 1.00 30.53 C ATOM 1268 O TRP A 80 2.226 12.008 6.394 1.00 4.51 O ATOM 1269 CB TRP A 80 1.643 9.444 4.226 1.00 73.32 C ATOM 1270 CG TRP A 80 1.454 10.618 3.307 1.00 25.31 C ATOM 1271 CD1 TRP A 80 2.336 11.071 2.369 1.00 4.32 C ATOM 1272 CD2 TRP A 80 0.313 11.483 3.237 1.00 1.31 C ATOM 1273 NE1 TRP A 80 1.817 12.163 1.723 1.00 24.01 N ATOM 1274 CE2 TRP A 80 0.577 12.437 2.235 1.00 64.24 C ATOM 1275 CE3 TRP A 80 -0.906 11.545 3.922 1.00 53.31 C ATOM 1276 CZ2 TRP A 80 -0.329 13.438 1.903 1.00 33.53 C ATOM 1277 CZ3 TRP A 80 -1.804 12.541 3.590 1.00 61.20 C ATOM 1278 CH2 TRP A 80 -1.511 13.476 2.588 1.00 13.31 C ATOM 0 H TRP A 80 2.226 7.718 5.876 1.00 32.33 H new ATOM 0 HA TRP A 80 3.428 10.133 5.225 1.00 74.41 H new ATOM 0 HB2 TRP A 80 2.157 8.650 3.685 1.00 73.32 H new ATOM 0 HB3 TRP A 80 0.665 9.055 4.509 1.00 73.32 H new ATOM 0 HD1 TRP A 80 3.302 10.633 2.165 1.00 4.32 H new ATOM 0 HE1 TRP A 80 2.280 12.687 0.980 1.00 24.01 H new ATOM 0 HE3 TRP A 80 -1.140 10.828 4.695 1.00 53.31 H new ATOM 0 HZ2 TRP A 80 -0.107 14.160 1.131 1.00 33.53 H new ATOM 0 HZ3 TRP A 80 -2.748 12.600 4.112 1.00 61.20 H new ATOM 0 HH2 TRP A 80 -2.234 14.243 2.352 1.00 13.31 H new ATOM 1289 N GLN A 81 0.570 10.550 6.858 1.00 62.31 N ATOM 1290 CA GLN A 81 -0.192 11.484 7.693 1.00 42.05 C ATOM 1291 C GLN A 81 0.639 11.961 8.897 1.00 62.13 C ATOM 1292 O GLN A 81 0.609 13.136 9.256 1.00 35.55 O ATOM 1293 CB GLN A 81 -1.490 10.812 8.171 1.00 74.31 C ATOM 1294 CG GLN A 81 -2.371 11.702 9.043 1.00 33.14 C ATOM 1295 CD GLN A 81 -3.643 11.004 9.490 1.00 60.54 C ATOM 1296 OE1 GLN A 81 -4.672 11.063 8.824 1.00 65.53 O ATOM 1297 NE2 GLN A 81 -3.581 10.333 10.621 1.00 14.04 N ATOM 0 H GLN A 81 0.134 9.633 6.755 1.00 62.31 H new ATOM 0 HA GLN A 81 -0.439 12.360 7.093 1.00 42.05 H new ATOM 0 HB2 GLN A 81 -2.063 10.494 7.300 1.00 74.31 H new ATOM 0 HB3 GLN A 81 -1.235 9.912 8.731 1.00 74.31 H new ATOM 0 HG2 GLN A 81 -1.807 12.018 9.920 1.00 33.14 H new ATOM 0 HG3 GLN A 81 -2.631 12.604 8.489 1.00 33.14 H new ATOM 0 HE21 GLN A 81 -2.709 10.305 11.150 1.00 14.04 H new ATOM 0 HE22 GLN A 81 -4.405 9.842 10.968 1.00 14.04 H new ATOM 1306 N ASP A 82 1.390 11.042 9.500 1.00 5.30 N ATOM 1307 CA ASP A 82 2.252 11.360 10.640 1.00 42.51 C ATOM 1308 C ASP A 82 3.314 12.405 10.261 1.00 33.44 C ATOM 1309 O ASP A 82 3.599 13.332 11.028 1.00 33.23 O ATOM 1310 CB ASP A 82 2.921 10.078 11.150 1.00 40.20 C ATOM 1311 CG ASP A 82 3.745 10.297 12.399 1.00 3.35 C ATOM 1312 OD1 ASP A 82 3.171 10.704 13.429 1.00 52.11 O ATOM 1313 OD2 ASP A 82 4.966 10.051 12.369 1.00 54.14 O ATOM 0 H ASP A 82 1.420 10.063 9.216 1.00 5.30 H new ATOM 0 HA ASP A 82 1.637 11.787 11.432 1.00 42.51 H new ATOM 0 HB2 ASP A 82 2.154 9.331 11.354 1.00 40.20 H new ATOM 0 HB3 ASP A 82 3.561 9.672 10.366 1.00 40.20 H new ATOM 1318 N LEU A 83 3.889 12.253 9.071 1.00 33.23 N ATOM 1319 CA LEU A 83 4.866 13.214 8.550 1.00 51.45 C ATOM 1320 C LEU A 83 4.217 14.584 8.310 1.00 0.30 C ATOM 1321 O LEU A 83 4.766 15.618 8.695 1.00 34.43 O ATOM 1322 CB LEU A 83 5.479 12.699 7.241 1.00 70.14 C ATOM 1323 CG LEU A 83 6.164 11.328 7.330 1.00 74.40 C ATOM 1324 CD1 LEU A 83 6.751 10.935 5.977 1.00 40.23 C ATOM 1325 CD2 LEU A 83 7.236 11.325 8.420 1.00 14.41 C ATOM 0 H LEU A 83 3.696 11.471 8.445 1.00 33.23 H new ATOM 0 HA LEU A 83 5.653 13.326 9.296 1.00 51.45 H new ATOM 0 HB2 LEU A 83 4.693 12.645 6.488 1.00 70.14 H new ATOM 0 HB3 LEU A 83 6.208 13.429 6.889 1.00 70.14 H new ATOM 0 HG LEU A 83 5.414 10.585 7.601 1.00 74.40 H new ATOM 0 HD11 LEU A 83 7.233 9.961 6.059 1.00 40.23 H new ATOM 0 HD12 LEU A 83 5.954 10.885 5.235 1.00 40.23 H new ATOM 0 HD13 LEU A 83 7.486 11.679 5.670 1.00 40.23 H new ATOM 0 HD21 LEU A 83 7.707 10.343 8.464 1.00 14.41 H new ATOM 0 HD22 LEU A 83 7.989 12.079 8.192 1.00 14.41 H new ATOM 0 HD23 LEU A 83 6.777 11.551 9.382 1.00 14.41 H new ATOM 1337 N LYS A 84 3.044 14.581 7.674 1.00 3.22 N ATOM 1338 CA LYS A 84 2.304 15.820 7.404 1.00 34.12 C ATOM 1339 C LYS A 84 1.938 16.547 8.710 1.00 71.31 C ATOM 1340 O LYS A 84 2.079 17.767 8.811 1.00 63.52 O ATOM 1341 CB LYS A 84 1.034 15.516 6.592 1.00 40.53 C ATOM 1342 CG LYS A 84 1.300 14.786 5.275 1.00 23.23 C ATOM 1343 CD LYS A 84 2.110 15.627 4.281 1.00 53.31 C ATOM 1344 CE LYS A 84 1.242 16.621 3.506 1.00 32.53 C ATOM 1345 NZ LYS A 84 0.635 17.666 4.376 1.00 23.11 N ATOM 0 H LYS A 84 2.584 13.736 7.335 1.00 3.22 H new ATOM 0 HA LYS A 84 2.950 16.477 6.822 1.00 34.12 H new ATOM 0 HB2 LYS A 84 0.361 14.912 7.201 1.00 40.53 H new ATOM 0 HB3 LYS A 84 0.518 16.452 6.379 1.00 40.53 H new ATOM 0 HG2 LYS A 84 1.836 13.859 5.481 1.00 23.23 H new ATOM 0 HG3 LYS A 84 0.349 14.510 4.820 1.00 23.23 H new ATOM 0 HD2 LYS A 84 2.886 16.171 4.819 1.00 53.31 H new ATOM 0 HD3 LYS A 84 2.614 14.965 3.577 1.00 53.31 H new ATOM 0 HE2 LYS A 84 1.848 17.102 2.738 1.00 32.53 H new ATOM 0 HE3 LYS A 84 0.449 16.078 2.992 1.00 32.53 H new ATOM 0 HZ1 LYS A 84 0.431 18.514 3.809 1.00 23.11 H new ATOM 0 HZ2 LYS A 84 -0.248 17.304 4.789 1.00 23.11 H new ATOM 0 HZ3 LYS A 84 1.298 17.911 5.139 1.00 23.11 H new ATOM 1359 N ASN A 85 1.479 15.790 9.707 1.00 33.35 N ATOM 1360 CA ASN A 85 1.155 16.349 11.027 1.00 63.14 C ATOM 1361 C ASN A 85 2.390 16.981 11.683 1.00 63.34 C ATOM 1362 O ASN A 85 2.360 18.131 12.120 1.00 54.30 O ATOM 1363 CB ASN A 85 0.579 15.268 11.952 1.00 10.25 C ATOM 1364 CG ASN A 85 -0.743 14.713 11.457 1.00 14.22 C ATOM 1365 OD1 ASN A 85 -1.491 15.388 10.756 1.00 4.20 O ATOM 1366 ND2 ASN A 85 -1.053 13.486 11.829 1.00 3.20 N ATOM 0 H ASN A 85 1.322 14.785 9.629 1.00 33.35 H new ATOM 0 HA ASN A 85 0.405 17.125 10.875 1.00 63.14 H new ATOM 0 HB2 ASN A 85 1.298 14.454 12.043 1.00 10.25 H new ATOM 0 HB3 ASN A 85 0.442 15.685 12.949 1.00 10.25 H new ATOM 0 HD21 ASN A 85 -1.937 13.071 11.534 1.00 3.20 H new ATOM 0 HD22 ASN A 85 -0.409 12.952 12.412 1.00 3.20 H new ATOM 1373 N GLN A 86 3.481 16.224 11.739 1.00 23.32 N ATOM 1374 CA GLN A 86 4.722 16.703 12.357 1.00 52.23 C ATOM 1375 C GLN A 86 5.537 17.591 11.403 1.00 31.23 C ATOM 1376 O GLN A 86 6.640 18.020 11.740 1.00 21.13 O ATOM 1377 CB GLN A 86 5.571 15.515 12.826 1.00 3.15 C ATOM 1378 CG GLN A 86 4.873 14.639 13.859 1.00 4.12 C ATOM 1379 CD GLN A 86 5.760 13.521 14.372 1.00 54.41 C ATOM 1380 OE1 GLN A 86 5.727 12.386 13.708 1.00 11.55 O flip ATOM 1381 NE2 GLN A 86 6.472 13.678 15.355 1.00 45.30 N flip ATOM 0 H GLN A 86 3.536 15.276 11.366 1.00 23.32 H new ATOM 0 HA GLN A 86 4.445 17.314 13.216 1.00 52.23 H new ATOM 0 HB2 GLN A 86 5.835 14.904 11.963 1.00 3.15 H new ATOM 0 HB3 GLN A 86 6.503 15.889 13.249 1.00 3.15 H new ATOM 0 HG2 GLN A 86 4.553 15.258 14.698 1.00 4.12 H new ATOM 0 HG3 GLN A 86 3.973 14.210 13.418 1.00 4.12 H new ATOM 0 HE21 GLN A 86 6.473 14.572 15.846 1.00 45.30 H new ATOM 0 HE22 GLN A 86 7.064 12.915 15.683 1.00 45.30 H new ATOM 1390 N ASN A 87 4.994 17.845 10.208 1.00 62.24 N ATOM 1391 CA ASN A 87 5.626 18.738 9.218 1.00 73.42 C ATOM 1392 C ASN A 87 7.010 18.218 8.778 1.00 64.34 C ATOM 1393 O ASN A 87 7.847 18.980 8.290 1.00 31.34 O ATOM 1394 CB ASN A 87 5.745 20.170 9.776 1.00 13.30 C ATOM 1395 CG ASN A 87 4.398 20.826 10.062 1.00 43.54 C ATOM 1396 OD1 ASN A 87 3.427 20.059 10.518 1.00 0.34 O flip ATOM 1397 ND2 ASN A 87 4.236 22.028 9.898 1.00 55.44 N flip ATOM 0 H ASN A 87 4.110 17.443 9.896 1.00 62.24 H new ATOM 0 HA ASN A 87 4.983 18.754 8.338 1.00 73.42 H new ATOM 0 HB2 ASN A 87 6.331 20.146 10.695 1.00 13.30 H new ATOM 0 HB3 ASN A 87 6.295 20.784 9.063 1.00 13.30 H new ATOM 0 HD21 ASN A 87 5.001 22.602 9.544 1.00 55.44 H new ATOM 0 HD22 ASN A 87 3.336 22.456 10.115 1.00 55.44 H new ATOM 1404 N LYS A 88 7.229 16.912 8.925 1.00 12.53 N ATOM 1405 CA LYS A 88 8.516 16.298 8.584 1.00 11.43 C ATOM 1406 C LYS A 88 8.735 16.238 7.065 1.00 22.10 C ATOM 1407 O LYS A 88 8.074 15.472 6.358 1.00 70.41 O ATOM 1408 CB LYS A 88 8.617 14.881 9.173 1.00 73.54 C ATOM 1409 CG LYS A 88 8.644 14.834 10.697 1.00 71.50 C ATOM 1410 CD LYS A 88 8.841 13.407 11.210 1.00 21.14 C ATOM 1411 CE LYS A 88 8.957 13.355 12.728 1.00 74.11 C ATOM 1412 NZ LYS A 88 9.190 11.968 13.218 1.00 35.14 N ATOM 0 H LYS A 88 6.532 16.256 9.278 1.00 12.53 H new ATOM 0 HA LYS A 88 9.293 16.927 9.018 1.00 11.43 H new ATOM 0 HB2 LYS A 88 7.771 14.292 8.818 1.00 73.54 H new ATOM 0 HB3 LYS A 88 9.520 14.405 8.791 1.00 73.54 H new ATOM 0 HG2 LYS A 88 9.449 15.469 11.067 1.00 71.50 H new ATOM 0 HG3 LYS A 88 7.712 15.238 11.091 1.00 71.50 H new ATOM 0 HD2 LYS A 88 8.003 12.788 10.889 1.00 21.14 H new ATOM 0 HD3 LYS A 88 9.740 12.982 10.763 1.00 21.14 H new ATOM 0 HE2 LYS A 88 9.776 13.997 13.052 1.00 74.11 H new ATOM 0 HE3 LYS A 88 8.045 13.750 13.176 1.00 74.11 H new ATOM 0 HZ1 LYS A 88 9.263 11.974 14.255 1.00 35.14 H new ATOM 0 HZ2 LYS A 88 8.396 11.360 12.931 1.00 35.14 H new ATOM 0 HZ3 LYS A 88 10.073 11.600 12.811 1.00 35.14 H new ATOM 1426 N GLN A 89 9.655 17.056 6.566 1.00 21.04 N ATOM 1427 CA GLN A 89 10.046 17.008 5.156 1.00 42.41 C ATOM 1428 C GLN A 89 11.244 16.061 4.966 1.00 21.54 C ATOM 1429 O GLN A 89 12.400 16.488 4.959 1.00 64.22 O ATOM 1430 CB GLN A 89 10.386 18.418 4.643 1.00 74.11 C ATOM 1431 CG GLN A 89 9.252 19.424 4.820 1.00 61.22 C ATOM 1432 CD GLN A 89 9.595 20.806 4.283 1.00 62.31 C ATOM 1433 OE1 GLN A 89 10.361 20.949 3.335 1.00 72.31 O ATOM 1434 NE2 GLN A 89 9.033 21.834 4.885 1.00 55.31 N ATOM 0 H GLN A 89 10.146 17.762 7.115 1.00 21.04 H new ATOM 0 HA GLN A 89 9.206 16.625 4.576 1.00 42.41 H new ATOM 0 HB2 GLN A 89 11.269 18.783 5.168 1.00 74.11 H new ATOM 0 HB3 GLN A 89 10.645 18.358 3.586 1.00 74.11 H new ATOM 0 HG2 GLN A 89 8.362 19.053 4.312 1.00 61.22 H new ATOM 0 HG3 GLN A 89 9.005 19.502 5.879 1.00 61.22 H new ATOM 0 HE21 GLN A 89 8.400 21.682 5.671 1.00 55.31 H new ATOM 0 HE22 GLN A 89 9.230 22.782 4.566 1.00 55.31 H new ATOM 1443 N ILE A 90 10.959 14.765 4.849 1.00 31.25 N ATOM 1444 CA ILE A 90 12.014 13.750 4.734 1.00 31.23 C ATOM 1445 C ILE A 90 12.175 13.239 3.294 1.00 22.54 C ATOM 1446 O ILE A 90 11.282 13.395 2.457 1.00 62.24 O ATOM 1447 CB ILE A 90 11.751 12.538 5.671 1.00 63.20 C ATOM 1448 CG1 ILE A 90 10.490 11.767 5.239 1.00 13.24 C ATOM 1449 CG2 ILE A 90 11.627 13.004 7.122 1.00 3.14 C ATOM 1450 CD1 ILE A 90 10.272 10.479 6.009 1.00 4.14 C ATOM 0 H ILE A 90 10.011 14.390 4.831 1.00 31.25 H new ATOM 0 HA ILE A 90 12.936 14.246 5.036 1.00 31.23 H new ATOM 0 HB ILE A 90 12.601 11.859 5.595 1.00 63.20 H new ATOM 0 HG12 ILE A 90 9.619 12.410 5.369 1.00 13.24 H new ATOM 0 HG13 ILE A 90 10.561 11.537 4.176 1.00 13.24 H new ATOM 0 HG21 ILE A 90 11.443 12.144 7.766 1.00 3.14 H new ATOM 0 HG22 ILE A 90 12.551 13.494 7.427 1.00 3.14 H new ATOM 0 HG23 ILE A 90 10.798 13.706 7.209 1.00 3.14 H new ATOM 0 HD11 ILE A 90 9.366 9.990 5.651 1.00 4.14 H new ATOM 0 HD12 ILE A 90 11.125 9.817 5.860 1.00 4.14 H new ATOM 0 HD13 ILE A 90 10.168 10.703 7.071 1.00 4.14 H new ATOM 1462 N SER A 91 13.323 12.626 3.019 1.00 35.24 N ATOM 1463 CA SER A 91 13.606 12.034 1.707 1.00 4.51 C ATOM 1464 C SER A 91 12.791 10.748 1.500 1.00 23.14 C ATOM 1465 O SER A 91 12.497 10.032 2.459 1.00 4.23 O ATOM 1466 CB SER A 91 15.105 11.712 1.583 1.00 20.21 C ATOM 1467 OG SER A 91 15.911 12.849 1.857 1.00 0.22 O ATOM 0 H SER A 91 14.082 12.524 3.693 1.00 35.24 H new ATOM 0 HA SER A 91 13.323 12.758 0.942 1.00 4.51 H new ATOM 0 HB2 SER A 91 15.363 10.908 2.273 1.00 20.21 H new ATOM 0 HB3 SER A 91 15.317 11.349 0.577 1.00 20.21 H new ATOM 0 HG SER A 91 16.857 12.608 1.771 1.00 0.22 H new ATOM 1473 N MET A 92 12.439 10.441 0.254 1.00 61.32 N ATOM 1474 CA MET A 92 11.693 9.211 -0.051 1.00 35.14 C ATOM 1475 C MET A 92 12.482 7.971 0.414 1.00 70.44 C ATOM 1476 O MET A 92 11.905 6.989 0.889 1.00 55.40 O ATOM 1477 CB MET A 92 11.384 9.141 -1.557 1.00 12.22 C ATOM 1478 CG MET A 92 10.428 8.017 -1.954 1.00 4.11 C ATOM 1479 SD MET A 92 11.181 6.378 -1.877 1.00 52.02 S ATOM 1480 CE MET A 92 12.370 6.476 -3.214 1.00 11.33 C ATOM 0 H MET A 92 12.654 11.018 -0.559 1.00 61.32 H new ATOM 0 HA MET A 92 10.748 9.227 0.491 1.00 35.14 H new ATOM 0 HB2 MET A 92 10.957 10.093 -1.872 1.00 12.22 H new ATOM 0 HB3 MET A 92 12.320 9.015 -2.102 1.00 12.22 H new ATOM 0 HG2 MET A 92 9.558 8.041 -1.298 1.00 4.11 H new ATOM 0 HG3 MET A 92 10.068 8.197 -2.967 1.00 4.11 H new ATOM 0 HE1 MET A 92 12.653 5.470 -3.524 1.00 11.33 H new ATOM 0 HE2 MET A 92 11.926 7.005 -4.058 1.00 11.33 H new ATOM 0 HE3 MET A 92 13.256 7.013 -2.875 1.00 11.33 H new ATOM 1490 N ALA A 93 13.812 8.041 0.304 1.00 22.20 N ATOM 1491 CA ALA A 93 14.695 6.983 0.805 1.00 33.01 C ATOM 1492 C ALA A 93 14.505 6.757 2.316 1.00 73.51 C ATOM 1493 O ALA A 93 14.556 5.621 2.795 1.00 40.12 O ATOM 1494 CB ALA A 93 16.149 7.321 0.493 1.00 52.35 C ATOM 0 H ALA A 93 14.303 8.823 -0.130 1.00 22.20 H new ATOM 0 HA ALA A 93 14.430 6.055 0.298 1.00 33.01 H new ATOM 0 HB1 ALA A 93 16.796 6.528 0.870 1.00 52.35 H new ATOM 0 HB2 ALA A 93 16.278 7.413 -0.585 1.00 52.35 H new ATOM 0 HB3 ALA A 93 16.414 8.264 0.972 1.00 52.35 H new ATOM 1500 N GLU A 94 14.271 7.844 3.062 1.00 71.53 N ATOM 1501 CA GLU A 94 14.009 7.755 4.507 1.00 44.23 C ATOM 1502 C GLU A 94 12.731 6.948 4.786 1.00 3.30 C ATOM 1503 O GLU A 94 12.637 6.238 5.790 1.00 22.54 O ATOM 1504 CB GLU A 94 13.892 9.155 5.133 1.00 1.13 C ATOM 1505 CG GLU A 94 15.187 9.966 5.097 1.00 52.13 C ATOM 1506 CD GLU A 94 15.089 11.274 5.873 1.00 64.24 C ATOM 1507 OE1 GLU A 94 14.958 11.224 7.115 1.00 25.03 O ATOM 1508 OE2 GLU A 94 15.153 12.357 5.252 1.00 22.33 O ATOM 0 H GLU A 94 14.257 8.794 2.691 1.00 71.53 H new ATOM 0 HA GLU A 94 14.854 7.239 4.963 1.00 44.23 H new ATOM 0 HB2 GLU A 94 13.113 9.711 4.610 1.00 1.13 H new ATOM 0 HB3 GLU A 94 13.569 9.052 6.169 1.00 1.13 H new ATOM 0 HG2 GLU A 94 15.998 9.365 5.509 1.00 52.13 H new ATOM 0 HG3 GLU A 94 15.445 10.183 4.060 1.00 52.13 H new ATOM 1515 N ALA A 95 11.752 7.061 3.887 1.00 64.31 N ATOM 1516 CA ALA A 95 10.532 6.250 3.963 1.00 4.54 C ATOM 1517 C ALA A 95 10.836 4.776 3.645 1.00 72.01 C ATOM 1518 O ALA A 95 10.304 3.866 4.283 1.00 62.43 O ATOM 1519 CB ALA A 95 9.470 6.798 3.013 1.00 42.51 C ATOM 0 H ALA A 95 11.778 7.706 3.097 1.00 64.31 H new ATOM 0 HA ALA A 95 10.146 6.304 4.981 1.00 4.54 H new ATOM 0 HB1 ALA A 95 8.571 6.186 3.081 1.00 42.51 H new ATOM 0 HB2 ALA A 95 9.231 7.825 3.288 1.00 42.51 H new ATOM 0 HB3 ALA A 95 9.849 6.775 1.991 1.00 42.51 H new ATOM 1525 N GLN A 96 11.704 4.554 2.655 1.00 55.53 N ATOM 1526 CA GLN A 96 12.172 3.203 2.306 1.00 61.40 C ATOM 1527 C GLN A 96 12.936 2.544 3.469 1.00 43.34 C ATOM 1528 O GLN A 96 12.998 1.319 3.570 1.00 10.45 O ATOM 1529 CB GLN A 96 13.059 3.260 1.053 1.00 32.35 C ATOM 1530 CG GLN A 96 12.281 3.489 -0.242 1.00 14.31 C ATOM 1531 CD GLN A 96 11.462 2.274 -0.644 1.00 64.51 C ATOM 1532 OE1 GLN A 96 11.910 1.428 -1.411 1.00 14.30 O ATOM 1533 NE2 GLN A 96 10.266 2.166 -0.112 1.00 4.20 N ATOM 0 H GLN A 96 12.101 5.294 2.076 1.00 55.53 H new ATOM 0 HA GLN A 96 11.294 2.591 2.100 1.00 61.40 H new ATOM 0 HB2 GLN A 96 13.790 4.059 1.173 1.00 32.35 H new ATOM 0 HB3 GLN A 96 13.617 2.327 0.971 1.00 32.35 H new ATOM 0 HG2 GLN A 96 11.619 4.346 -0.119 1.00 14.31 H new ATOM 0 HG3 GLN A 96 12.978 3.736 -1.043 1.00 14.31 H new ATOM 0 HE21 GLN A 96 9.923 2.887 0.522 1.00 4.20 H new ATOM 0 HE22 GLN A 96 9.680 1.361 -0.333 1.00 4.20 H new ATOM 1542 N GLY A 97 13.526 3.365 4.338 1.00 42.25 N ATOM 1543 CA GLY A 97 14.158 2.847 5.547 1.00 34.01 C ATOM 1544 C GLY A 97 13.142 2.282 6.539 1.00 12.41 C ATOM 1545 O GLY A 97 13.443 1.358 7.300 1.00 42.41 O ATOM 0 H GLY A 97 13.579 4.378 4.228 1.00 42.25 H new ATOM 0 HA2 GLY A 97 14.870 2.067 5.276 1.00 34.01 H new ATOM 0 HA3 GLY A 97 14.726 3.644 6.027 1.00 34.01 H new ATOM 1549 N LYS A 98 11.934 2.844 6.532 1.00 73.33 N ATOM 1550 CA LYS A 98 10.857 2.391 7.421 1.00 51.11 C ATOM 1551 C LYS A 98 10.042 1.261 6.757 1.00 75.30 C ATOM 1552 O LYS A 98 9.536 0.365 7.435 1.00 60.34 O ATOM 1553 CB LYS A 98 9.955 3.588 7.791 1.00 2.13 C ATOM 1554 CG LYS A 98 9.227 3.457 9.137 1.00 35.10 C ATOM 1555 CD LYS A 98 8.027 2.512 9.079 1.00 73.33 C ATOM 1556 CE LYS A 98 7.371 2.344 10.449 1.00 71.31 C ATOM 1557 NZ LYS A 98 6.171 1.464 10.401 1.00 65.50 N ATOM 0 H LYS A 98 11.673 3.617 5.919 1.00 73.33 H new ATOM 0 HA LYS A 98 11.292 1.987 8.335 1.00 51.11 H new ATOM 0 HB2 LYS A 98 10.565 4.491 7.811 1.00 2.13 H new ATOM 0 HB3 LYS A 98 9.212 3.722 7.004 1.00 2.13 H new ATOM 0 HG2 LYS A 98 9.929 3.098 9.890 1.00 35.10 H new ATOM 0 HG3 LYS A 98 8.891 4.443 9.459 1.00 35.10 H new ATOM 0 HD2 LYS A 98 7.294 2.898 8.370 1.00 73.33 H new ATOM 0 HD3 LYS A 98 8.348 1.539 8.708 1.00 73.33 H new ATOM 0 HE2 LYS A 98 8.096 1.926 11.147 1.00 71.31 H new ATOM 0 HE3 LYS A 98 7.085 3.323 10.834 1.00 71.31 H new ATOM 0 HZ1 LYS A 98 5.400 1.898 10.948 1.00 65.50 H new ATOM 0 HZ2 LYS A 98 5.869 1.342 9.413 1.00 65.50 H new ATOM 0 HZ3 LYS A 98 6.404 0.536 10.809 1.00 65.50 H new ATOM 1571 N PHE A 99 9.935 1.299 5.425 1.00 43.52 N ATOM 1572 CA PHE A 99 9.199 0.268 4.668 1.00 44.32 C ATOM 1573 C PHE A 99 10.058 -0.348 3.543 1.00 31.13 C ATOM 1574 O PHE A 99 9.799 -0.124 2.360 1.00 53.02 O ATOM 1575 CB PHE A 99 7.916 0.858 4.061 1.00 32.15 C ATOM 1576 CG PHE A 99 6.972 1.450 5.076 1.00 0.20 C ATOM 1577 CD1 PHE A 99 6.190 0.629 5.875 1.00 31.54 C ATOM 1578 CD2 PHE A 99 6.866 2.826 5.230 1.00 13.32 C ATOM 1579 CE1 PHE A 99 5.323 1.170 6.805 1.00 73.41 C ATOM 1580 CE2 PHE A 99 6.000 3.367 6.157 1.00 50.33 C ATOM 1581 CZ PHE A 99 5.228 2.538 6.945 1.00 31.31 C ATOM 0 H PHE A 99 10.347 2.030 4.845 1.00 43.52 H new ATOM 0 HA PHE A 99 8.944 -0.522 5.374 1.00 44.32 H new ATOM 0 HB2 PHE A 99 8.189 1.629 3.341 1.00 32.15 H new ATOM 0 HB3 PHE A 99 7.395 0.076 3.509 1.00 32.15 H new ATOM 0 HD1 PHE A 99 6.259 -0.444 5.769 1.00 31.54 H new ATOM 0 HD2 PHE A 99 7.469 3.480 4.617 1.00 13.32 H new ATOM 0 HE1 PHE A 99 4.720 0.521 7.422 1.00 73.41 H new ATOM 0 HE2 PHE A 99 5.926 4.439 6.266 1.00 50.33 H new ATOM 0 HZ PHE A 99 4.550 2.961 7.671 1.00 31.31 H new ATOM 1591 N PRO A 100 11.087 -1.145 3.891 1.00 40.43 N ATOM 1592 CA PRO A 100 11.987 -1.756 2.891 1.00 63.51 C ATOM 1593 C PRO A 100 11.287 -2.813 2.021 1.00 72.43 C ATOM 1594 O PRO A 100 11.650 -3.023 0.859 1.00 71.12 O ATOM 1595 CB PRO A 100 13.081 -2.399 3.754 1.00 22.25 C ATOM 1596 CG PRO A 100 12.427 -2.649 5.071 1.00 23.12 C ATOM 1597 CD PRO A 100 11.460 -1.516 5.271 1.00 22.14 C ATOM 0 HA PRO A 100 12.360 -1.021 2.177 1.00 63.51 H new ATOM 0 HB2 PRO A 100 13.442 -3.326 3.309 1.00 22.25 H new ATOM 0 HB3 PRO A 100 13.942 -1.739 3.858 1.00 22.25 H new ATOM 0 HG2 PRO A 100 11.911 -3.609 5.075 1.00 23.12 H new ATOM 0 HG3 PRO A 100 13.164 -2.680 5.874 1.00 23.12 H new ATOM 0 HD2 PRO A 100 10.592 -1.825 5.854 1.00 22.14 H new ATOM 0 HD3 PRO A 100 11.920 -0.683 5.802 1.00 22.14 H new ATOM 1605 N GLU A 101 10.285 -3.481 2.591 1.00 50.30 N ATOM 1606 CA GLU A 101 9.529 -4.515 1.874 1.00 53.14 C ATOM 1607 C GLU A 101 8.445 -3.905 0.971 1.00 14.25 C ATOM 1608 O GLU A 101 7.873 -4.591 0.122 1.00 51.25 O ATOM 1609 CB GLU A 101 8.889 -5.485 2.874 1.00 2.42 C ATOM 1610 CG GLU A 101 9.899 -6.208 3.758 1.00 61.34 C ATOM 1611 CD GLU A 101 9.233 -7.106 4.787 1.00 73.32 C ATOM 1612 OE1 GLU A 101 8.827 -6.592 5.850 1.00 54.11 O ATOM 1613 OE2 GLU A 101 9.114 -8.327 4.537 1.00 41.11 O ATOM 0 H GLU A 101 9.975 -3.326 3.550 1.00 50.30 H new ATOM 0 HA GLU A 101 10.229 -5.055 1.237 1.00 53.14 H new ATOM 0 HB2 GLU A 101 8.194 -4.934 3.507 1.00 2.42 H new ATOM 0 HB3 GLU A 101 8.304 -6.224 2.326 1.00 2.42 H new ATOM 0 HG2 GLU A 101 10.562 -6.806 3.133 1.00 61.34 H new ATOM 0 HG3 GLU A 101 10.521 -5.473 4.270 1.00 61.34 H new ATOM 1620 N VAL A 102 8.171 -2.617 1.156 1.00 73.30 N ATOM 1621 CA VAL A 102 7.165 -1.918 0.352 1.00 65.43 C ATOM 1622 C VAL A 102 7.841 -1.056 -0.724 1.00 30.41 C ATOM 1623 O VAL A 102 8.555 -0.101 -0.414 1.00 43.02 O ATOM 1624 CB VAL A 102 6.254 -1.030 1.234 1.00 2.41 C ATOM 1625 CG1 VAL A 102 5.166 -0.361 0.395 1.00 5.12 C ATOM 1626 CG2 VAL A 102 5.640 -1.847 2.370 1.00 74.54 C ATOM 0 H VAL A 102 8.630 -2.033 1.855 1.00 73.30 H new ATOM 0 HA VAL A 102 6.546 -2.675 -0.129 1.00 65.43 H new ATOM 0 HB VAL A 102 6.869 -0.245 1.674 1.00 2.41 H new ATOM 0 HG11 VAL A 102 4.539 0.257 1.038 1.00 5.12 H new ATOM 0 HG12 VAL A 102 5.628 0.263 -0.370 1.00 5.12 H new ATOM 0 HG13 VAL A 102 4.553 -1.125 -0.082 1.00 5.12 H new ATOM 0 HG21 VAL A 102 5.003 -1.204 2.978 1.00 74.54 H new ATOM 0 HG22 VAL A 102 5.044 -2.659 1.953 1.00 74.54 H new ATOM 0 HG23 VAL A 102 6.434 -2.262 2.990 1.00 74.54 H new ATOM 1636 N VAL A 103 7.612 -1.395 -1.987 1.00 31.35 N ATOM 1637 CA VAL A 103 8.275 -0.715 -3.104 1.00 23.44 C ATOM 1638 C VAL A 103 7.644 0.658 -3.391 1.00 51.11 C ATOM 1639 O VAL A 103 6.562 0.752 -3.967 1.00 51.32 O ATOM 1640 CB VAL A 103 8.231 -1.580 -4.391 1.00 41.24 C ATOM 1641 CG1 VAL A 103 8.980 -0.895 -5.536 1.00 14.41 C ATOM 1642 CG2 VAL A 103 8.798 -2.975 -4.121 1.00 24.22 C ATOM 0 H VAL A 103 6.972 -2.138 -2.268 1.00 31.35 H new ATOM 0 HA VAL A 103 9.313 -0.565 -2.808 1.00 23.44 H new ATOM 0 HB VAL A 103 7.189 -1.690 -4.693 1.00 41.24 H new ATOM 0 HG11 VAL A 103 8.935 -1.522 -6.427 1.00 14.41 H new ATOM 0 HG12 VAL A 103 8.519 0.070 -5.747 1.00 14.41 H new ATOM 0 HG13 VAL A 103 10.021 -0.745 -5.251 1.00 14.41 H new ATOM 0 HG21 VAL A 103 8.759 -3.567 -5.035 1.00 24.22 H new ATOM 0 HG22 VAL A 103 9.832 -2.889 -3.788 1.00 24.22 H new ATOM 0 HG23 VAL A 103 8.207 -3.464 -3.346 1.00 24.22 H new ATOM 1652 N PHE A 104 8.326 1.722 -2.977 1.00 50.31 N ATOM 1653 CA PHE A 104 7.868 3.086 -3.256 1.00 25.11 C ATOM 1654 C PHE A 104 8.265 3.514 -4.674 1.00 62.22 C ATOM 1655 O PHE A 104 9.299 3.095 -5.199 1.00 41.24 O ATOM 1656 CB PHE A 104 8.439 4.073 -2.222 1.00 11.25 C ATOM 1657 CG PHE A 104 7.757 4.028 -0.872 1.00 62.13 C ATOM 1658 CD1 PHE A 104 7.349 2.823 -0.314 1.00 3.33 C ATOM 1659 CD2 PHE A 104 7.535 5.195 -0.157 1.00 42.22 C ATOM 1660 CE1 PHE A 104 6.733 2.787 0.922 1.00 13.33 C ATOM 1661 CE2 PHE A 104 6.917 5.162 1.079 1.00 20.34 C ATOM 1662 CZ PHE A 104 6.517 3.957 1.620 1.00 33.05 C ATOM 0 H PHE A 104 9.196 1.670 -2.448 1.00 50.31 H new ATOM 0 HA PHE A 104 6.780 3.098 -3.184 1.00 25.11 H new ATOM 0 HB2 PHE A 104 9.500 3.865 -2.086 1.00 11.25 H new ATOM 0 HB3 PHE A 104 8.361 5.084 -2.621 1.00 11.25 H new ATOM 0 HD1 PHE A 104 7.516 1.902 -0.853 1.00 3.33 H new ATOM 0 HD2 PHE A 104 7.849 6.142 -0.571 1.00 42.22 H new ATOM 0 HE1 PHE A 104 6.420 1.842 1.342 1.00 13.33 H new ATOM 0 HE2 PHE A 104 6.747 6.080 1.622 1.00 20.34 H new ATOM 0 HZ PHE A 104 6.036 3.930 2.587 1.00 33.05 H new ATOM 1672 N SER A 105 7.433 4.342 -5.296 1.00 42.24 N ATOM 1673 CA SER A 105 7.667 4.786 -6.674 1.00 34.33 C ATOM 1674 C SER A 105 7.770 6.312 -6.756 1.00 12.34 C ATOM 1675 O SER A 105 6.845 7.031 -6.370 1.00 74.44 O ATOM 1676 CB SER A 105 6.542 4.291 -7.600 1.00 21.42 C ATOM 1677 OG SER A 105 6.505 2.869 -7.664 1.00 73.04 O ATOM 0 H SER A 105 6.588 4.722 -4.871 1.00 42.24 H new ATOM 0 HA SER A 105 8.615 4.358 -7.001 1.00 34.33 H new ATOM 0 HB2 SER A 105 5.583 4.665 -7.241 1.00 21.42 H new ATOM 0 HB3 SER A 105 6.688 4.697 -8.601 1.00 21.42 H new ATOM 0 HG SER A 105 5.573 2.567 -7.700 1.00 73.04 H new ATOM 1683 N GLY A 106 8.903 6.794 -7.257 1.00 45.02 N ATOM 1684 CA GLY A 106 9.101 8.227 -7.462 1.00 43.04 C ATOM 1685 C GLY A 106 9.473 8.543 -8.906 1.00 61.04 C ATOM 1686 O GLY A 106 10.471 8.029 -9.410 1.00 74.22 O ATOM 0 H GLY A 106 9.698 6.215 -7.529 1.00 45.02 H new ATOM 0 HA2 GLY A 106 8.190 8.762 -7.195 1.00 43.04 H new ATOM 0 HA3 GLY A 106 9.887 8.585 -6.797 1.00 43.04 H new ATOM 1690 N SER A 107 8.675 9.401 -9.557 1.00 15.11 N ATOM 1691 CA SER A 107 8.787 9.680 -11.010 1.00 44.22 C ATOM 1692 C SER A 107 8.657 8.391 -11.844 1.00 61.31 C ATOM 1693 O SER A 107 7.605 8.131 -12.435 1.00 72.41 O ATOM 1694 CB SER A 107 10.093 10.433 -11.359 1.00 73.01 C ATOM 1695 OG SER A 107 11.252 9.639 -11.145 1.00 63.04 O ATOM 0 H SER A 107 7.931 9.926 -9.098 1.00 15.11 H new ATOM 0 HA SER A 107 7.955 10.335 -11.268 1.00 44.22 H new ATOM 0 HB2 SER A 107 10.060 10.748 -12.402 1.00 73.01 H new ATOM 0 HB3 SER A 107 10.160 11.338 -10.755 1.00 73.01 H new ATOM 0 HG SER A 107 11.285 9.355 -10.208 1.00 63.04 H new ATOM 1701 N ASN A 108 9.728 7.596 -11.889 1.00 33.22 N ATOM 1702 CA ASN A 108 9.721 6.273 -12.535 1.00 74.41 C ATOM 1703 C ASN A 108 9.541 6.358 -14.068 1.00 72.23 C ATOM 1704 O ASN A 108 9.084 7.367 -14.612 1.00 24.34 O ATOM 1705 CB ASN A 108 8.628 5.380 -11.917 1.00 31.42 C ATOM 1706 CG ASN A 108 8.702 3.939 -12.397 1.00 4.33 C ATOM 1707 OD1 ASN A 108 9.775 3.424 -12.684 1.00 2.44 O ATOM 1708 ND2 ASN A 108 7.565 3.285 -12.513 1.00 44.20 N ATOM 0 H ASN A 108 10.628 7.848 -11.479 1.00 33.22 H new ATOM 0 HA ASN A 108 10.699 5.827 -12.354 1.00 74.41 H new ATOM 0 HB2 ASN A 108 8.719 5.401 -10.831 1.00 31.42 H new ATOM 0 HB3 ASN A 108 7.648 5.790 -12.163 1.00 31.42 H new ATOM 0 HD21 ASN A 108 7.563 2.322 -12.850 1.00 44.20 H new ATOM 0 HD22 ASN A 108 6.687 3.741 -12.266 1.00 44.20 H new ATOM 1715 N LEU A 109 9.903 5.276 -14.753 1.00 15.05 N ATOM 1716 CA LEU A 109 9.772 5.186 -16.210 1.00 33.30 C ATOM 1717 C LEU A 109 8.294 5.080 -16.629 1.00 24.03 C ATOM 1718 O LEU A 109 7.879 5.635 -17.651 1.00 63.22 O ATOM 1719 CB LEU A 109 10.560 3.975 -16.742 1.00 32.44 C ATOM 1720 CG LEU A 109 12.099 4.059 -16.616 1.00 71.23 C ATOM 1721 CD1 LEU A 109 12.546 4.053 -15.154 1.00 32.33 C ATOM 1722 CD2 LEU A 109 12.759 2.914 -17.379 1.00 70.21 C ATOM 0 H LEU A 109 10.294 4.440 -14.319 1.00 15.05 H new ATOM 0 HA LEU A 109 10.184 6.098 -16.642 1.00 33.30 H new ATOM 0 HB2 LEU A 109 10.220 3.085 -16.213 1.00 32.44 H new ATOM 0 HB3 LEU A 109 10.308 3.836 -17.793 1.00 32.44 H new ATOM 0 HG LEU A 109 12.415 5.005 -17.055 1.00 71.23 H new ATOM 0 HD11 LEU A 109 13.633 4.113 -15.106 1.00 32.33 H new ATOM 0 HD12 LEU A 109 12.112 4.909 -14.637 1.00 32.33 H new ATOM 0 HD13 LEU A 109 12.212 3.133 -14.675 1.00 32.33 H new ATOM 0 HD21 LEU A 109 13.842 2.988 -17.280 1.00 70.21 H new ATOM 0 HD22 LEU A 109 12.421 1.962 -16.970 1.00 70.21 H new ATOM 0 HD23 LEU A 109 12.486 2.974 -18.433 1.00 70.21 H new ATOM 1734 N GLU A 110 7.511 4.345 -15.841 1.00 4.32 N ATOM 1735 CA GLU A 110 6.059 4.238 -16.054 1.00 10.41 C ATOM 1736 C GLU A 110 5.290 4.872 -14.884 1.00 72.54 C ATOM 1737 O GLU A 110 5.588 4.611 -13.718 1.00 52.33 O ATOM 1738 CB GLU A 110 5.649 2.766 -16.220 1.00 20.24 C ATOM 1739 CG GLU A 110 6.309 2.072 -17.408 1.00 1.51 C ATOM 1740 CD GLU A 110 5.839 0.638 -17.592 1.00 62.51 C ATOM 1741 OE1 GLU A 110 6.430 -0.275 -16.980 1.00 5.44 O ATOM 1742 OE2 GLU A 110 4.874 0.416 -18.356 1.00 61.43 O ATOM 0 H GLU A 110 7.855 3.810 -15.044 1.00 4.32 H new ATOM 0 HA GLU A 110 5.808 4.778 -16.967 1.00 10.41 H new ATOM 0 HB2 GLU A 110 5.901 2.224 -15.309 1.00 20.24 H new ATOM 0 HB3 GLU A 110 4.566 2.711 -16.335 1.00 20.24 H new ATOM 0 HG2 GLU A 110 6.098 2.637 -18.316 1.00 1.51 H new ATOM 0 HG3 GLU A 110 7.390 2.080 -17.272 1.00 1.51 H new ATOM 1749 N HIS A 111 4.299 5.707 -15.195 1.00 2.40 N ATOM 1750 CA HIS A 111 3.552 6.433 -14.158 1.00 25.12 C ATOM 1751 C HIS A 111 2.144 6.846 -14.624 1.00 40.24 C ATOM 1752 O HIS A 111 1.926 7.158 -15.795 1.00 21.21 O ATOM 1753 CB HIS A 111 4.356 7.664 -13.700 1.00 75.32 C ATOM 1754 CG HIS A 111 5.053 8.383 -14.819 1.00 4.21 C ATOM 1755 ND1 HIS A 111 6.424 8.529 -14.885 1.00 34.11 N ATOM 1756 CD2 HIS A 111 4.564 8.997 -15.923 1.00 61.11 C ATOM 1757 CE1 HIS A 111 6.743 9.195 -15.973 1.00 35.33 C ATOM 1758 NE2 HIS A 111 5.637 9.490 -16.619 1.00 32.34 N ATOM 0 H HIS A 111 3.993 5.899 -16.149 1.00 2.40 H new ATOM 0 HA HIS A 111 3.415 5.754 -13.317 1.00 25.12 H new ATOM 0 HB2 HIS A 111 3.684 8.359 -13.197 1.00 75.32 H new ATOM 0 HB3 HIS A 111 5.097 7.350 -12.965 1.00 75.32 H new ATOM 0 HD1 HIS A 111 7.087 8.175 -14.196 1.00 34.11 H new ATOM 0 HD2 HIS A 111 3.524 9.082 -16.202 1.00 61.11 H new ATOM 0 HE1 HIS A 111 7.744 9.455 -16.283 1.00 35.33 H new ATOM 1767 N HIS A 112 1.197 6.852 -13.683 1.00 51.33 N ATOM 1768 CA HIS A 112 -0.199 7.214 -13.966 1.00 44.02 C ATOM 1769 C HIS A 112 -0.352 8.719 -14.240 1.00 64.30 C ATOM 1770 O HIS A 112 -0.386 9.525 -13.309 1.00 24.32 O ATOM 1771 CB HIS A 112 -1.094 6.800 -12.780 1.00 54.30 C ATOM 1772 CG HIS A 112 -2.551 7.138 -12.948 1.00 55.45 C ATOM 1773 ND1 HIS A 112 -3.482 6.232 -13.405 1.00 71.32 N ATOM 1774 CD2 HIS A 112 -3.242 8.279 -12.696 1.00 12.34 C ATOM 1775 CE1 HIS A 112 -4.673 6.795 -13.432 1.00 30.45 C ATOM 1776 NE2 HIS A 112 -4.556 8.032 -13.006 1.00 5.11 N ATOM 0 H HIS A 112 1.372 6.608 -12.708 1.00 51.33 H new ATOM 0 HA HIS A 112 -0.509 6.681 -14.865 1.00 44.02 H new ATOM 0 HB2 HIS A 112 -0.999 5.725 -12.628 1.00 54.30 H new ATOM 0 HB3 HIS A 112 -0.724 7.284 -11.876 1.00 54.30 H new ATOM 0 HD2 HIS A 112 -2.834 9.207 -12.322 1.00 12.34 H new ATOM 0 HE1 HIS A 112 -5.589 6.320 -13.750 1.00 30.45 H new ATOM 0 HE2 HIS A 112 -5.320 8.702 -12.919 1.00 5.11 H new ATOM 1785 N HIS A 113 -0.441 9.092 -15.516 1.00 50.21 N ATOM 1786 CA HIS A 113 -0.687 10.493 -15.888 1.00 14.54 C ATOM 1787 C HIS A 113 -2.115 10.929 -15.503 1.00 11.33 C ATOM 1788 O HIS A 113 -3.026 10.103 -15.414 1.00 53.02 O ATOM 1789 CB HIS A 113 -0.415 10.724 -17.385 1.00 55.44 C ATOM 1790 CG HIS A 113 -1.204 9.851 -18.312 1.00 11.21 C ATOM 1791 ND1 HIS A 113 -1.055 8.548 -18.649 1.00 72.23 N flip ATOM 1792 CD2 HIS A 113 -2.274 10.311 -19.047 1.00 23.52 C flip ATOM 1793 CE1 HIS A 113 -2.027 8.254 -19.573 1.00 10.02 C flip ATOM 1794 NE2 HIS A 113 -2.747 9.334 -19.791 1.00 72.42 N flip ATOM 0 H HIS A 113 -0.348 8.454 -16.306 1.00 50.21 H new ATOM 0 HA HIS A 113 0.009 11.115 -15.326 1.00 14.54 H new ATOM 0 HB2 HIS A 113 -0.629 11.766 -17.621 1.00 55.44 H new ATOM 0 HB3 HIS A 113 0.646 10.565 -17.575 1.00 55.44 H new ATOM 0 HD2 HIS A 113 -2.664 11.318 -19.017 1.00 23.52 H new ATOM 0 HE1 HIS A 113 -2.176 7.294 -20.044 1.00 10.02 H new ATOM 0 HE2 HIS A 113 -3.539 9.402 -20.430 1.00 72.42 H new ATOM 1803 N HIS A 114 -2.301 12.232 -15.289 1.00 1.20 N ATOM 1804 CA HIS A 114 -3.539 12.765 -14.692 1.00 24.52 C ATOM 1805 C HIS A 114 -4.435 13.508 -15.704 1.00 21.31 C ATOM 1806 O HIS A 114 -4.051 13.735 -16.852 1.00 12.23 O ATOM 1807 CB HIS A 114 -3.178 13.705 -13.530 1.00 71.05 C ATOM 1808 CG HIS A 114 -2.116 14.711 -13.882 1.00 13.21 C ATOM 1809 ND1 HIS A 114 -0.863 14.713 -13.310 1.00 1.54 N ATOM 1810 CD2 HIS A 114 -2.122 15.746 -14.758 1.00 52.32 C ATOM 1811 CE1 HIS A 114 -0.148 15.697 -13.817 1.00 75.33 C ATOM 1812 NE2 HIS A 114 -0.885 16.339 -14.700 1.00 64.31 N ATOM 0 H HIS A 114 -1.610 12.946 -15.520 1.00 1.20 H new ATOM 0 HA HIS A 114 -4.115 11.911 -14.336 1.00 24.52 H new ATOM 0 HB2 HIS A 114 -4.075 14.233 -13.208 1.00 71.05 H new ATOM 0 HB3 HIS A 114 -2.837 13.109 -12.683 1.00 71.05 H new ATOM 0 HD2 HIS A 114 -2.947 16.048 -15.386 1.00 52.32 H new ATOM 0 HE1 HIS A 114 0.871 15.937 -13.553 1.00 75.33 H new ATOM 0 HE2 HIS A 114 -0.586 17.144 -15.250 1.00 64.31 H new ATOM 1821 N HIS A 115 -5.639 13.879 -15.252 1.00 63.34 N ATOM 1822 CA HIS A 115 -6.583 14.659 -16.066 1.00 23.25 C ATOM 1823 C HIS A 115 -7.688 15.279 -15.188 1.00 23.35 C ATOM 1824 O HIS A 115 -7.989 14.774 -14.105 1.00 54.02 O ATOM 1825 CB HIS A 115 -7.223 13.769 -17.143 1.00 65.13 C ATOM 1826 CG HIS A 115 -8.236 12.795 -16.605 1.00 53.31 C ATOM 1827 ND1 HIS A 115 -7.921 11.786 -15.723 1.00 5.41 N ATOM 1828 CD2 HIS A 115 -9.571 12.695 -16.820 1.00 63.32 C ATOM 1829 CE1 HIS A 115 -9.010 11.108 -15.422 1.00 12.31 C ATOM 1830 NE2 HIS A 115 -10.022 11.637 -16.071 1.00 33.44 N ATOM 0 H HIS A 115 -5.985 13.650 -14.320 1.00 63.34 H new ATOM 0 HA HIS A 115 -6.025 15.463 -16.546 1.00 23.25 H new ATOM 0 HB2 HIS A 115 -7.704 14.404 -17.887 1.00 65.13 H new ATOM 0 HB3 HIS A 115 -6.437 13.215 -17.657 1.00 65.13 H new ATOM 0 HD2 HIS A 115 -10.167 13.329 -17.460 1.00 63.32 H new ATOM 0 HE1 HIS A 115 -9.062 10.261 -14.754 1.00 12.31 H new ATOM 0 HE2 HIS A 115 -10.988 11.313 -16.026 1.00 33.44 H new ATOM 1839 N HIS A 116 -8.290 16.371 -15.656 1.00 12.54 N ATOM 1840 CA HIS A 116 -9.426 17.002 -14.956 1.00 44.32 C ATOM 1841 C HIS A 116 -10.761 16.757 -15.690 1.00 12.52 C ATOM 1842 O HIS A 116 -11.663 16.125 -15.096 1.00 37.30 O ATOM 1843 CB HIS A 116 -9.186 18.506 -14.783 1.00 72.41 C ATOM 1844 CG HIS A 116 -8.165 18.830 -13.737 1.00 53.21 C ATOM 1845 ND1 HIS A 116 -8.473 19.490 -12.568 1.00 32.13 N ATOM 1846 CD2 HIS A 116 -6.836 18.575 -13.680 1.00 22.44 C ATOM 1847 CE1 HIS A 116 -7.386 19.627 -11.840 1.00 2.12 C ATOM 1848 NE2 HIS A 116 -6.380 19.080 -12.488 1.00 63.22 N ATOM 1849 OXT HIS A 116 -10.893 17.176 -16.859 1.00 37.30 O ATOM 0 H HIS A 116 -8.015 16.843 -16.517 1.00 12.54 H new ATOM 0 HA HIS A 116 -9.498 16.538 -13.972 1.00 44.32 H new ATOM 0 HB2 HIS A 116 -8.865 18.927 -15.736 1.00 72.41 H new ATOM 0 HB3 HIS A 116 -10.128 18.989 -14.522 1.00 72.41 H new ATOM 0 HD2 HIS A 116 -6.246 18.070 -14.431 1.00 22.44 H new ATOM 0 HE1 HIS A 116 -7.329 20.107 -10.874 1.00 2.12 H new ATOM 0 HE2 HIS A 116 -5.416 19.038 -12.158 1.00 63.22 H new TER 1858 HIS A 116