USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 869 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.0284 K(o=0.028,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0168 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -11:sc= 0.355 USER MOD Single : A 5 SER OG : rot -83:sc= 0.2 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0768 K(o=-0.077,f=-2.7!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -152:sc= -3.21 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.734 USER MOD Single : A 37 SER OG : rot -141:sc= -1.13 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 97:sc= -0.223 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.418 USER MOD Single : A 51 SER OG : rot 170:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.6!) USER MOD Single : A 58 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.17) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.9!) USER MOD Single : A 72 GLN : amide:sc= -0.831 X(o=-0.83,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 35:sc= 0.127 USER MOD Single : A 83 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.28) USER MOD Single : A 84 HIS : no HE2:sc= -2.65! C(o=-2.7!,f=-11!) USER MOD Single : A 86 TYR OH : rot 9:sc= -0.417 USER MOD Single : A 93 GLN : amide:sc= -9.91! C(o=-9.9!,f=-8.8!) USER MOD Single : A 94 SER OG : rot 153:sc= -0.656 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 110 SER OG : rot -51:sc= 0.472 USER MOD Single : A 111 GLN : amide:sc= -0.078 K(o=-0.078,f=-2!) USER MOD Single : A 113 SER OG : rot 15:sc= 0.79! USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.773 29.968 8.533 1.00 0.00 N ATOM 2 CA GLY A 1 30.336 29.841 9.911 1.00 0.00 C ATOM 3 C GLY A 1 29.150 28.908 10.058 1.00 0.00 C ATOM 4 O GLY A 1 28.269 28.873 9.200 1.00 0.00 O ATOM 0 H1 GLY A 1 30.930 30.972 8.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.660 29.441 8.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.043 29.583 7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.162 29.472 10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.071 30.825 10.297 1.00 0.00 H new ATOM 8 N SER A 2 29.128 28.149 11.149 1.00 0.00 N ATOM 9 CA SER A 2 28.045 27.206 11.403 1.00 0.00 C ATOM 10 C SER A 2 26.687 27.882 11.235 1.00 0.00 C ATOM 11 O SER A 2 25.792 27.347 10.580 1.00 0.00 O ATOM 12 CB SER A 2 28.167 26.625 12.813 1.00 0.00 C ATOM 13 OG SER A 2 29.055 25.522 12.835 1.00 0.00 O ATOM 0 H SER A 2 29.848 28.169 11.871 1.00 0.00 H new ATOM 0 HA SER A 2 28.122 26.397 10.677 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.522 27.395 13.498 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.185 26.312 13.167 1.00 0.00 H new ATOM 0 HG SER A 2 29.117 25.170 13.747 1.00 0.00 H new ATOM 19 N SER A 3 26.542 29.061 11.831 1.00 0.00 N ATOM 20 CA SER A 3 25.293 29.809 11.751 1.00 0.00 C ATOM 21 C SER A 3 24.092 28.871 11.822 1.00 0.00 C ATOM 22 O SER A 3 23.120 29.031 11.085 1.00 0.00 O ATOM 23 CB SER A 3 25.243 30.623 10.456 1.00 0.00 C ATOM 24 OG SER A 3 25.108 29.777 9.327 1.00 0.00 O ATOM 0 H SER A 3 27.274 29.519 12.374 1.00 0.00 H new ATOM 0 HA SER A 3 25.251 30.490 12.601 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.407 31.321 10.493 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.151 31.218 10.362 1.00 0.00 H new ATOM 0 HG SER A 3 25.254 28.846 9.596 1.00 0.00 H new ATOM 30 N GLY A 4 24.168 27.889 12.716 1.00 0.00 N ATOM 31 CA GLY A 4 23.082 26.938 12.867 1.00 0.00 C ATOM 32 C GLY A 4 22.596 26.397 11.538 1.00 0.00 C ATOM 33 O GLY A 4 21.470 26.671 11.123 1.00 0.00 O ATOM 0 H GLY A 4 24.962 27.735 13.338 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.413 26.110 13.494 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.252 27.418 13.386 1.00 0.00 H new ATOM 37 N SER A 5 23.447 25.627 10.867 1.00 0.00 N ATOM 38 CA SER A 5 23.099 25.050 9.574 1.00 0.00 C ATOM 39 C SER A 5 22.942 23.536 9.679 1.00 0.00 C ATOM 40 O SER A 5 21.993 22.961 9.147 1.00 0.00 O ATOM 41 CB SER A 5 24.170 25.392 8.535 1.00 0.00 C ATOM 42 OG SER A 5 25.431 24.867 8.911 1.00 0.00 O ATOM 0 H SER A 5 24.382 25.388 11.197 1.00 0.00 H new ATOM 0 HA SER A 5 22.146 25.476 9.258 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.880 24.991 7.564 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.241 26.474 8.424 1.00 0.00 H new ATOM 0 HG SER A 5 25.869 25.483 9.534 1.00 0.00 H new ATOM 48 N SER A 6 23.881 22.896 10.370 1.00 0.00 N ATOM 49 CA SER A 6 23.850 21.449 10.542 1.00 0.00 C ATOM 50 C SER A 6 23.028 21.066 11.769 1.00 0.00 C ATOM 51 O SER A 6 23.460 21.259 12.905 1.00 0.00 O ATOM 52 CB SER A 6 25.271 20.899 10.675 1.00 0.00 C ATOM 53 OG SER A 6 25.280 19.484 10.600 1.00 0.00 O ATOM 0 H SER A 6 24.672 23.357 10.819 1.00 0.00 H new ATOM 0 HA SER A 6 23.381 21.013 9.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.899 21.312 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.700 21.219 11.624 1.00 0.00 H new ATOM 0 HG SER A 6 26.200 19.158 10.686 1.00 0.00 H new ATOM 59 N GLY A 7 21.839 20.520 11.531 1.00 0.00 N ATOM 60 CA GLY A 7 20.975 20.118 12.625 1.00 0.00 C ATOM 61 C GLY A 7 19.701 19.453 12.144 1.00 0.00 C ATOM 62 O GLY A 7 19.682 18.251 11.879 1.00 0.00 O ATOM 0 H GLY A 7 21.459 20.349 10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.515 19.432 13.277 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.721 20.993 13.223 1.00 0.00 H new ATOM 66 N SER A 8 18.632 20.236 12.031 1.00 0.00 N ATOM 67 CA SER A 8 17.346 19.714 11.583 1.00 0.00 C ATOM 68 C SER A 8 16.955 20.317 10.237 1.00 0.00 C ATOM 69 O SER A 8 16.239 21.317 10.176 1.00 0.00 O ATOM 70 CB SER A 8 16.262 20.010 12.621 1.00 0.00 C ATOM 71 OG SER A 8 15.033 19.404 12.262 1.00 0.00 O ATOM 0 H SER A 8 18.631 21.234 12.243 1.00 0.00 H new ATOM 0 HA SER A 8 17.441 18.635 11.465 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.580 19.644 13.597 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.127 21.088 12.713 1.00 0.00 H new ATOM 0 HG SER A 8 14.357 19.607 12.942 1.00 0.00 H new ATOM 77 N HIS A 9 17.430 19.701 9.159 1.00 0.00 N ATOM 78 CA HIS A 9 17.130 20.175 7.813 1.00 0.00 C ATOM 79 C HIS A 9 17.228 19.037 6.802 1.00 0.00 C ATOM 80 O HIS A 9 18.022 18.111 6.969 1.00 0.00 O ATOM 81 CB HIS A 9 18.085 21.303 7.422 1.00 0.00 C ATOM 82 CG HIS A 9 17.557 22.184 6.332 1.00 0.00 C ATOM 83 ND1 HIS A 9 16.278 22.073 5.827 1.00 0.00 N ATOM 84 CD2 HIS A 9 18.142 23.197 5.651 1.00 0.00 C ATOM 85 CE1 HIS A 9 16.100 22.978 4.882 1.00 0.00 C ATOM 86 NE2 HIS A 9 17.216 23.674 4.755 1.00 0.00 N ATOM 0 H HIS A 9 18.024 18.873 9.192 1.00 0.00 H new ATOM 0 HA HIS A 9 16.109 20.556 7.808 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.294 21.912 8.301 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.033 20.871 7.101 1.00 0.00 H new ATOM 0 HD2 HIS A 9 19.149 23.562 5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.196 23.124 4.310 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.366 24.440 4.099 1.00 0.00 H new ATOM 94 N ASP A 10 16.415 19.111 5.754 1.00 0.00 N ATOM 95 CA ASP A 10 16.410 18.088 4.715 1.00 0.00 C ATOM 96 C ASP A 10 16.948 18.644 3.401 1.00 0.00 C ATOM 97 O ASP A 10 16.253 18.646 2.385 1.00 0.00 O ATOM 98 CB ASP A 10 14.995 17.544 4.512 1.00 0.00 C ATOM 99 CG ASP A 10 13.984 18.644 4.254 1.00 0.00 C ATOM 100 OD1 ASP A 10 14.050 19.271 3.175 1.00 0.00 O ATOM 101 OD2 ASP A 10 13.125 18.877 5.129 1.00 0.00 O ATOM 0 H ASP A 10 15.750 19.870 5.601 1.00 0.00 H new ATOM 0 HA ASP A 10 17.061 17.275 5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.993 16.848 3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.696 16.979 5.395 1.00 0.00 H new ATOM 106 N SER A 11 18.190 19.116 3.429 1.00 0.00 N ATOM 107 CA SER A 11 18.820 19.680 2.241 1.00 0.00 C ATOM 108 C SER A 11 19.145 18.587 1.227 1.00 0.00 C ATOM 109 O SER A 11 18.509 18.490 0.178 1.00 0.00 O ATOM 110 CB SER A 11 20.097 20.433 2.623 1.00 0.00 C ATOM 111 OG SER A 11 20.672 21.067 1.494 1.00 0.00 O ATOM 0 H SER A 11 18.780 19.119 4.261 1.00 0.00 H new ATOM 0 HA SER A 11 18.118 20.378 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 11 19.869 21.178 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 11 20.815 19.739 3.059 1.00 0.00 H new ATOM 0 HG SER A 11 21.485 21.542 1.765 1.00 0.00 H new ATOM 117 N ARG A 12 20.140 17.767 1.550 1.00 0.00 N ATOM 118 CA ARG A 12 20.551 16.681 0.668 1.00 0.00 C ATOM 119 C ARG A 12 19.639 15.470 0.835 1.00 0.00 C ATOM 120 O ARG A 12 20.107 14.334 0.923 1.00 0.00 O ATOM 121 CB ARG A 12 22.001 16.284 0.954 1.00 0.00 C ATOM 122 CG ARG A 12 22.620 15.416 -0.129 1.00 0.00 C ATOM 123 CD ARG A 12 23.289 16.259 -1.204 1.00 0.00 C ATOM 124 NE ARG A 12 23.408 15.539 -2.469 1.00 0.00 N ATOM 125 CZ ARG A 12 22.427 15.453 -3.361 1.00 0.00 C ATOM 126 NH1 ARG A 12 21.261 16.039 -3.127 1.00 0.00 N ATOM 127 NH2 ARG A 12 22.611 14.779 -4.489 1.00 0.00 N ATOM 0 H ARG A 12 20.676 17.834 2.415 1.00 0.00 H new ATOM 0 HA ARG A 12 20.474 17.033 -0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.600 17.187 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 12 22.042 15.750 1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 12 23.353 14.744 0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 12 21.849 14.792 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 12 22.714 17.172 -1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 12 24.280 16.561 -0.864 1.00 0.00 H new ATOM 0 HE ARG A 12 24.293 15.077 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 12 21.115 16.557 -2.261 1.00 0.00 H new ATOM 0 HH12 ARG A 12 20.509 15.972 -3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 12 23.506 14.326 -4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 12 21.857 14.714 -5.173 1.00 0.00 H new ATOM 141 N LEU A 13 18.335 15.719 0.880 1.00 0.00 N ATOM 142 CA LEU A 13 17.356 14.650 1.037 1.00 0.00 C ATOM 143 C LEU A 13 16.070 14.973 0.283 1.00 0.00 C ATOM 144 O LEU A 13 15.925 16.056 -0.286 1.00 0.00 O ATOM 145 CB LEU A 13 17.049 14.426 2.519 1.00 0.00 C ATOM 146 CG LEU A 13 18.228 13.996 3.391 1.00 0.00 C ATOM 147 CD1 LEU A 13 17.844 14.027 4.862 1.00 0.00 C ATOM 148 CD2 LEU A 13 18.707 12.607 2.993 1.00 0.00 C ATOM 0 H LEU A 13 17.931 16.653 0.810 1.00 0.00 H new ATOM 0 HA LEU A 13 17.781 13.738 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 13 16.638 15.349 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.270 13.668 2.597 1.00 0.00 H new ATOM 0 HG LEU A 13 19.046 14.700 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 13 18.696 13.718 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 13 17.550 15.039 5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 13 17.010 13.346 5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 13 19.547 12.317 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.894 11.892 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 13 19.023 12.616 1.950 1.00 0.00 H new ATOM 160 N THR A 14 15.135 14.027 0.283 1.00 0.00 N ATOM 161 CA THR A 14 13.861 14.211 -0.400 1.00 0.00 C ATOM 162 C THR A 14 12.871 14.967 0.479 1.00 0.00 C ATOM 163 O THR A 14 12.770 14.711 1.678 1.00 0.00 O ATOM 164 CB THR A 14 13.242 12.860 -0.807 1.00 0.00 C ATOM 165 OG1 THR A 14 13.197 11.982 0.323 1.00 0.00 O ATOM 166 CG2 THR A 14 14.042 12.214 -1.927 1.00 0.00 C ATOM 0 H THR A 14 15.237 13.125 0.749 1.00 0.00 H new ATOM 0 HA THR A 14 14.064 14.794 -1.298 1.00 0.00 H new ATOM 0 HB THR A 14 12.229 13.042 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.801 11.126 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.586 11.262 -2.197 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.049 12.872 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.065 12.044 -1.592 1.00 0.00 H new ATOM 174 N ALA A 15 12.142 15.899 -0.127 1.00 0.00 N ATOM 175 CA ALA A 15 11.157 16.690 0.600 1.00 0.00 C ATOM 176 C ALA A 15 9.785 16.600 -0.059 1.00 0.00 C ATOM 177 O ALA A 15 8.775 16.393 0.613 1.00 0.00 O ATOM 178 CB ALA A 15 11.607 18.141 0.689 1.00 0.00 C ATOM 0 H ALA A 15 12.215 16.124 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 15 11.074 16.284 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.862 18.720 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.562 18.194 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.720 18.549 -0.315 1.00 0.00 H new ATOM 184 N GLY A 16 9.756 16.757 -1.379 1.00 0.00 N ATOM 185 CA GLY A 16 8.502 16.691 -2.106 1.00 0.00 C ATOM 186 C GLY A 16 8.026 15.266 -2.314 1.00 0.00 C ATOM 187 O GLY A 16 7.580 14.905 -3.403 1.00 0.00 O ATOM 0 H GLY A 16 10.578 16.929 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.740 17.249 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.621 17.176 -3.075 1.00 0.00 H new ATOM 191 N VAL A 17 8.124 14.453 -1.267 1.00 0.00 N ATOM 192 CA VAL A 17 7.701 13.060 -1.339 1.00 0.00 C ATOM 193 C VAL A 17 6.409 12.837 -0.559 1.00 0.00 C ATOM 194 O VAL A 17 6.142 13.492 0.448 1.00 0.00 O ATOM 195 CB VAL A 17 8.787 12.115 -0.792 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.964 12.041 -1.754 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.242 12.567 0.587 1.00 0.00 C ATOM 0 H VAL A 17 8.493 14.735 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 17 7.530 12.835 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 17 8.361 11.116 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.722 11.369 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.622 11.666 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.392 13.035 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.009 11.888 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.650 13.576 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.393 12.562 1.270 1.00 0.00 H new ATOM 207 N PRO A 18 5.588 11.889 -1.035 1.00 0.00 N ATOM 208 CA PRO A 18 4.311 11.556 -0.397 1.00 0.00 C ATOM 209 C PRO A 18 4.498 10.858 0.946 1.00 0.00 C ATOM 210 O PRO A 18 5.029 9.750 1.011 1.00 0.00 O ATOM 211 CB PRO A 18 3.648 10.611 -1.403 1.00 0.00 C ATOM 212 CG PRO A 18 4.780 10.008 -2.159 1.00 0.00 C ATOM 213 CD PRO A 18 5.843 11.069 -2.231 1.00 0.00 C ATOM 0 HA PRO A 18 3.722 12.446 -0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.057 9.847 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.972 11.150 -2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.153 9.116 -1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.464 9.704 -3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.844 10.637 -2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.763 11.657 -3.146 1.00 0.00 H new ATOM 221 N ASP A 19 4.057 11.514 2.014 1.00 0.00 N ATOM 222 CA ASP A 19 4.175 10.955 3.356 1.00 0.00 C ATOM 223 C ASP A 19 3.581 9.552 3.414 1.00 0.00 C ATOM 224 O ASP A 19 2.993 9.073 2.443 1.00 0.00 O ATOM 225 CB ASP A 19 3.477 11.861 4.371 1.00 0.00 C ATOM 226 CG ASP A 19 4.022 11.686 5.775 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.177 11.229 5.910 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.295 12.006 6.738 1.00 0.00 O ATOM 0 H ASP A 19 3.615 12.432 1.977 1.00 0.00 H new ATOM 0 HA ASP A 19 5.234 10.892 3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.594 12.901 4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.408 11.647 4.370 1.00 0.00 H new ATOM 233 N THR A 20 3.738 8.895 4.560 1.00 0.00 N ATOM 234 CA THR A 20 3.219 7.545 4.744 1.00 0.00 C ATOM 235 C THR A 20 1.700 7.518 4.615 1.00 0.00 C ATOM 236 O THR A 20 0.988 8.335 5.199 1.00 0.00 O ATOM 237 CB THR A 20 3.616 6.974 6.119 1.00 0.00 C ATOM 238 OG1 THR A 20 5.021 7.147 6.333 1.00 0.00 O ATOM 239 CG2 THR A 20 3.261 5.498 6.214 1.00 0.00 C ATOM 0 H THR A 20 4.220 9.276 5.374 1.00 0.00 H new ATOM 0 HA THR A 20 3.659 6.927 3.961 1.00 0.00 H new ATOM 0 HB THR A 20 3.063 7.515 6.887 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.350 6.444 6.931 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.550 5.116 7.193 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.187 5.373 6.079 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.791 4.946 5.438 1.00 0.00 H new ATOM 247 N PRO A 21 1.190 6.556 3.832 1.00 0.00 N ATOM 248 CA PRO A 21 -0.251 6.398 3.609 1.00 0.00 C ATOM 249 C PRO A 21 -0.980 5.907 4.855 1.00 0.00 C ATOM 250 O PRO A 21 -0.509 5.004 5.548 1.00 0.00 O ATOM 251 CB PRO A 21 -0.324 5.348 2.498 1.00 0.00 C ATOM 252 CG PRO A 21 0.941 4.571 2.625 1.00 0.00 C ATOM 253 CD PRO A 21 1.979 5.548 3.105 1.00 0.00 C ATOM 0 HA PRO A 21 -0.730 7.343 3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.196 4.706 2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.404 5.815 1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.824 3.748 3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.229 4.134 1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.713 5.068 3.753 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.528 5.991 2.274 1.00 0.00 H new ATOM 261 N THR A 22 -2.133 6.506 5.135 1.00 0.00 N ATOM 262 CA THR A 22 -2.927 6.131 6.298 1.00 0.00 C ATOM 263 C THR A 22 -3.259 4.643 6.280 1.00 0.00 C ATOM 264 O THR A 22 -2.981 3.947 5.303 1.00 0.00 O ATOM 265 CB THR A 22 -4.238 6.936 6.367 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.030 8.255 5.850 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.745 7.022 7.799 1.00 0.00 C ATOM 0 H THR A 22 -2.538 7.254 4.572 1.00 0.00 H new ATOM 0 HA THR A 22 -2.324 6.356 7.178 1.00 0.00 H new ATOM 0 HB THR A 22 -4.986 6.423 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.868 8.760 5.896 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.672 7.595 7.823 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.929 6.018 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.997 7.515 8.421 1.00 0.00 H new ATOM 275 N ARG A 23 -3.855 4.161 7.365 1.00 0.00 N ATOM 276 CA ARG A 23 -4.224 2.755 7.474 1.00 0.00 C ATOM 277 C ARG A 23 -4.876 2.263 6.184 1.00 0.00 C ATOM 278 O ARG A 23 -5.348 3.059 5.372 1.00 0.00 O ATOM 279 CB ARG A 23 -5.177 2.545 8.652 1.00 0.00 C ATOM 280 CG ARG A 23 -6.586 3.053 8.393 1.00 0.00 C ATOM 281 CD ARG A 23 -7.440 2.991 9.650 1.00 0.00 C ATOM 282 NE ARG A 23 -8.853 3.220 9.363 1.00 0.00 N ATOM 283 CZ ARG A 23 -9.359 4.412 9.064 1.00 0.00 C ATOM 284 NH1 ARG A 23 -8.570 5.476 9.012 1.00 0.00 N ATOM 285 NH2 ARG A 23 -10.656 4.540 8.815 1.00 0.00 N ATOM 0 H ARG A 23 -4.093 4.724 8.182 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.315 2.179 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.221 1.482 8.888 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.773 3.050 9.530 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.543 4.080 8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.050 2.457 7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.319 2.016 10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.089 3.737 10.364 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.487 2.421 9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.572 5.381 9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.961 6.390 8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.266 3.723 8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.043 5.455 8.586 1.00 0.00 H new ATOM 299 N LEU A 24 -4.897 0.947 6.003 1.00 0.00 N ATOM 300 CA LEU A 24 -5.490 0.348 4.813 1.00 0.00 C ATOM 301 C LEU A 24 -6.862 -0.242 5.125 1.00 0.00 C ATOM 302 O LEU A 24 -7.253 -0.348 6.288 1.00 0.00 O ATOM 303 CB LEU A 24 -4.571 -0.738 4.252 1.00 0.00 C ATOM 304 CG LEU A 24 -3.073 -0.532 4.478 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.285 -1.720 3.950 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.606 0.756 3.818 1.00 0.00 C ATOM 0 H LEU A 24 -4.510 0.275 6.665 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.614 1.132 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.857 -1.692 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.749 -0.818 3.180 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.895 -0.452 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.221 -1.555 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.599 -2.625 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.469 -1.833 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.537 0.886 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.798 0.706 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.147 1.600 4.245 1.00 0.00 H new ATOM 318 N VAL A 25 -7.587 -0.627 4.080 1.00 0.00 N ATOM 319 CA VAL A 25 -8.913 -1.209 4.243 1.00 0.00 C ATOM 320 C VAL A 25 -9.056 -2.488 3.425 1.00 0.00 C ATOM 321 O VAL A 25 -9.000 -2.461 2.195 1.00 0.00 O ATOM 322 CB VAL A 25 -10.017 -0.219 3.825 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.331 -0.950 3.595 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.179 0.871 4.873 1.00 0.00 C ATOM 0 H VAL A 25 -7.278 -0.546 3.111 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.028 -1.443 5.301 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.723 0.252 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.099 -0.234 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.202 -1.690 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.635 -1.450 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.963 1.561 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.451 0.420 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.240 1.413 4.982 1.00 0.00 H new ATOM 334 N PHE A 26 -9.242 -3.608 4.116 1.00 0.00 N ATOM 335 CA PHE A 26 -9.393 -4.898 3.453 1.00 0.00 C ATOM 336 C PHE A 26 -10.861 -5.308 3.389 1.00 0.00 C ATOM 337 O PHE A 26 -11.587 -5.216 4.379 1.00 0.00 O ATOM 338 CB PHE A 26 -8.585 -5.970 4.188 1.00 0.00 C ATOM 339 CG PHE A 26 -7.171 -5.557 4.482 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.179 -5.705 3.526 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.833 -5.022 5.714 1.00 0.00 C ATOM 342 CE1 PHE A 26 -4.877 -5.327 3.794 1.00 0.00 C ATOM 343 CE2 PHE A 26 -5.533 -4.641 5.988 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.554 -4.794 5.026 1.00 0.00 C ATOM 0 H PHE A 26 -9.292 -3.648 5.134 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.016 -4.802 2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.086 -6.213 5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.572 -6.880 3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.426 -6.121 2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.595 -4.901 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.113 -5.448 3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.283 -4.224 6.953 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.537 -4.497 5.237 1.00 0.00 H new ATOM 354 N SER A 27 -11.292 -5.761 2.216 1.00 0.00 N ATOM 355 CA SER A 27 -12.675 -6.181 2.019 1.00 0.00 C ATOM 356 C SER A 27 -12.799 -7.699 2.112 1.00 0.00 C ATOM 357 O SER A 27 -13.769 -8.221 2.661 1.00 0.00 O ATOM 358 CB SER A 27 -13.189 -5.698 0.662 1.00 0.00 C ATOM 359 OG SER A 27 -14.599 -5.815 0.579 1.00 0.00 O ATOM 0 H SER A 27 -10.703 -5.847 1.387 1.00 0.00 H new ATOM 0 HA SER A 27 -13.281 -5.735 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.898 -4.659 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.725 -6.280 -0.134 1.00 0.00 H new ATOM 0 HG SER A 27 -14.903 -5.498 -0.297 1.00 0.00 H new ATOM 365 N ALA A 28 -11.810 -8.402 1.571 1.00 0.00 N ATOM 366 CA ALA A 28 -11.807 -9.859 1.593 1.00 0.00 C ATOM 367 C ALA A 28 -12.986 -10.423 0.808 1.00 0.00 C ATOM 368 O ALA A 28 -13.775 -11.210 1.333 1.00 0.00 O ATOM 369 CB ALA A 28 -11.835 -10.365 3.028 1.00 0.00 C ATOM 0 H ALA A 28 -11.000 -7.986 1.112 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.889 -10.203 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.832 -11.455 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.957 -9.999 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.736 -10.004 3.524 1.00 0.00 H new ATOM 375 N LEU A 29 -13.102 -10.016 -0.451 1.00 0.00 N ATOM 376 CA LEU A 29 -14.186 -10.480 -1.309 1.00 0.00 C ATOM 377 C LEU A 29 -14.430 -11.974 -1.119 1.00 0.00 C ATOM 378 O LEU A 29 -15.557 -12.451 -1.247 1.00 0.00 O ATOM 379 CB LEU A 29 -13.864 -10.187 -2.775 1.00 0.00 C ATOM 380 CG LEU A 29 -13.704 -8.712 -3.146 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.568 -7.840 -2.248 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.243 -8.295 -3.052 1.00 0.00 C ATOM 0 H LEU A 29 -12.458 -9.365 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.093 -9.944 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -12.943 -10.708 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.656 -10.612 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.034 -8.577 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.442 -6.794 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.614 -8.123 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.268 -7.978 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.147 -7.243 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.887 -8.444 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.647 -8.899 -3.737 1.00 0.00 H new ATOM 394 N GLY A 30 -13.365 -12.707 -0.809 1.00 0.00 N ATOM 395 CA GLY A 30 -13.485 -14.139 -0.604 1.00 0.00 C ATOM 396 C GLY A 30 -12.244 -14.740 0.027 1.00 0.00 C ATOM 397 O GLY A 30 -11.381 -14.032 0.547 1.00 0.00 O ATOM 0 H GLY A 30 -12.422 -12.335 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.347 -14.341 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.674 -14.625 -1.561 1.00 0.00 H new ATOM 401 N PRO A 31 -12.143 -16.077 -0.014 1.00 0.00 N ATOM 402 CA PRO A 31 -11.003 -16.802 0.554 1.00 0.00 C ATOM 403 C PRO A 31 -9.721 -16.583 -0.242 1.00 0.00 C ATOM 404 O PRO A 31 -8.619 -16.648 0.304 1.00 0.00 O ATOM 405 CB PRO A 31 -11.439 -18.267 0.474 1.00 0.00 C ATOM 406 CG PRO A 31 -12.424 -18.309 -0.643 1.00 0.00 C ATOM 407 CD PRO A 31 -13.134 -16.983 -0.619 1.00 0.00 C ATOM 0 HA PRO A 31 -10.770 -16.467 1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.590 -18.922 0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.888 -18.598 1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.924 -18.467 -1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.128 -19.131 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.415 -16.659 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.050 -17.028 -0.030 1.00 0.00 H new ATOM 415 N THR A 32 -9.871 -16.322 -1.537 1.00 0.00 N ATOM 416 CA THR A 32 -8.726 -16.094 -2.408 1.00 0.00 C ATOM 417 C THR A 32 -8.816 -14.734 -3.091 1.00 0.00 C ATOM 418 O THR A 32 -8.246 -14.527 -4.162 1.00 0.00 O ATOM 419 CB THR A 32 -8.613 -17.190 -3.486 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.852 -17.313 -4.191 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.244 -18.527 -2.861 1.00 0.00 C ATOM 0 H THR A 32 -10.775 -16.263 -2.005 1.00 0.00 H new ATOM 0 HA THR A 32 -7.838 -16.122 -1.776 1.00 0.00 H new ATOM 0 HB THR A 32 -7.826 -16.903 -4.184 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.771 -18.010 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.170 -19.285 -3.641 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.286 -18.437 -2.350 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.012 -18.818 -2.144 1.00 0.00 H new ATOM 429 N SER A 33 -9.535 -13.809 -2.463 1.00 0.00 N ATOM 430 CA SER A 33 -9.703 -12.469 -3.012 1.00 0.00 C ATOM 431 C SER A 33 -9.695 -11.422 -1.901 1.00 0.00 C ATOM 432 O SER A 33 -10.098 -11.697 -0.771 1.00 0.00 O ATOM 433 CB SER A 33 -11.008 -12.378 -3.804 1.00 0.00 C ATOM 434 OG SER A 33 -12.058 -13.057 -3.137 1.00 0.00 O ATOM 0 H SER A 33 -10.010 -13.963 -1.574 1.00 0.00 H new ATOM 0 HA SER A 33 -8.866 -12.270 -3.682 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.279 -11.332 -3.945 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.866 -12.807 -4.796 1.00 0.00 H new ATOM 0 HG SER A 33 -12.882 -12.983 -3.663 1.00 0.00 H new ATOM 440 N LEU A 34 -9.232 -10.222 -2.232 1.00 0.00 N ATOM 441 CA LEU A 34 -9.170 -9.132 -1.264 1.00 0.00 C ATOM 442 C LEU A 34 -9.205 -7.778 -1.965 1.00 0.00 C ATOM 443 O LEU A 34 -9.049 -7.695 -3.184 1.00 0.00 O ATOM 444 CB LEU A 34 -7.903 -9.248 -0.416 1.00 0.00 C ATOM 445 CG LEU A 34 -8.034 -10.044 0.883 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.718 -10.724 1.228 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.483 -9.139 2.020 1.00 0.00 C ATOM 0 H LEU A 34 -8.894 -9.979 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.042 -9.206 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.124 -9.709 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.562 -8.243 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.791 -10.815 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.831 -11.286 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.438 -11.404 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.941 -9.970 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.571 -9.723 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.750 -8.345 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.450 -8.700 1.775 1.00 0.00 H new ATOM 459 N ARG A 35 -9.408 -6.720 -1.188 1.00 0.00 N ATOM 460 CA ARG A 35 -9.461 -5.369 -1.734 1.00 0.00 C ATOM 461 C ARG A 35 -8.870 -4.361 -0.753 1.00 0.00 C ATOM 462 O ARG A 35 -9.495 -4.014 0.249 1.00 0.00 O ATOM 463 CB ARG A 35 -10.905 -4.987 -2.065 1.00 0.00 C ATOM 464 CG ARG A 35 -11.051 -3.579 -2.620 1.00 0.00 C ATOM 465 CD ARG A 35 -12.494 -3.104 -2.561 1.00 0.00 C ATOM 466 NE ARG A 35 -12.666 -1.799 -3.194 1.00 0.00 N ATOM 467 CZ ARG A 35 -13.821 -1.370 -3.691 1.00 0.00 C ATOM 468 NH1 ARG A 35 -14.900 -2.138 -3.628 1.00 0.00 N ATOM 469 NH2 ARG A 35 -13.899 -0.170 -4.251 1.00 0.00 N ATOM 0 H ARG A 35 -9.539 -6.772 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.868 -5.351 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.303 -5.697 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.512 -5.078 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.418 -2.896 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.701 -3.555 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.136 -3.834 -3.054 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.815 -3.048 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.855 -1.183 -3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.845 -3.061 -3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.785 -1.806 -4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.072 0.424 -4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.786 0.158 -4.632 1.00 0.00 H new ATOM 483 N VAL A 36 -7.660 -3.896 -1.048 1.00 0.00 N ATOM 484 CA VAL A 36 -6.984 -2.928 -0.192 1.00 0.00 C ATOM 485 C VAL A 36 -7.197 -1.505 -0.697 1.00 0.00 C ATOM 486 O VAL A 36 -6.993 -1.217 -1.876 1.00 0.00 O ATOM 487 CB VAL A 36 -5.472 -3.211 -0.111 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.729 -1.996 0.423 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.205 -4.432 0.756 1.00 0.00 C ATOM 0 H VAL A 36 -7.128 -4.174 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.419 -3.026 0.803 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.105 -3.419 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.662 -2.215 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.895 -1.148 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.097 -1.754 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.132 -4.618 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.586 -4.255 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.705 -5.300 0.326 1.00 0.00 H new ATOM 499 N SER A 37 -7.608 -0.619 0.205 1.00 0.00 N ATOM 500 CA SER A 37 -7.853 0.774 -0.150 1.00 0.00 C ATOM 501 C SER A 37 -7.180 1.714 0.847 1.00 0.00 C ATOM 502 O SER A 37 -7.421 1.635 2.051 1.00 0.00 O ATOM 503 CB SER A 37 -9.356 1.054 -0.197 1.00 0.00 C ATOM 504 OG SER A 37 -9.829 1.515 1.057 1.00 0.00 O ATOM 0 H SER A 37 -7.778 -0.841 1.186 1.00 0.00 H new ATOM 0 HA SER A 37 -7.427 0.952 -1.137 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.566 1.799 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.889 0.146 -0.479 1.00 0.00 H new ATOM 0 HG SER A 37 -10.710 1.125 1.238 1.00 0.00 H new ATOM 510 N TRP A 38 -6.336 2.602 0.335 1.00 0.00 N ATOM 511 CA TRP A 38 -5.628 3.558 1.179 1.00 0.00 C ATOM 512 C TRP A 38 -6.171 4.969 0.978 1.00 0.00 C ATOM 513 O TRP A 38 -7.149 5.169 0.258 1.00 0.00 O ATOM 514 CB TRP A 38 -4.130 3.527 0.873 1.00 0.00 C ATOM 515 CG TRP A 38 -3.821 3.566 -0.593 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.285 4.611 -1.290 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.033 2.515 -1.542 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.151 4.273 -2.615 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.602 2.992 -2.795 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.543 1.217 -1.454 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.667 2.216 -3.949 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.608 0.448 -2.600 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.171 0.949 -3.834 1.00 0.00 C ATOM 0 H TRP A 38 -6.125 2.680 -0.660 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.786 3.273 2.219 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.649 4.375 1.361 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.697 2.624 1.304 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.007 5.563 -0.863 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.776 4.878 -3.346 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.880 0.822 -0.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.332 2.600 -4.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.002 -0.556 -2.544 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.233 0.323 -4.712 1.00 0.00 H new ATOM 534 N GLN A 39 -5.531 5.941 1.619 1.00 0.00 N ATOM 535 CA GLN A 39 -5.952 7.333 1.511 1.00 0.00 C ATOM 536 C GLN A 39 -4.839 8.194 0.922 1.00 0.00 C ATOM 537 O GLN A 39 -3.699 8.151 1.384 1.00 0.00 O ATOM 538 CB GLN A 39 -6.360 7.873 2.882 1.00 0.00 C ATOM 539 CG GLN A 39 -7.167 9.160 2.814 1.00 0.00 C ATOM 540 CD GLN A 39 -8.658 8.909 2.706 1.00 0.00 C ATOM 541 OE1 GLN A 39 -9.294 8.456 3.658 1.00 0.00 O ATOM 542 NE2 GLN A 39 -9.225 9.203 1.542 1.00 0.00 N ATOM 0 H GLN A 39 -4.719 5.791 2.218 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.812 7.375 0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.945 7.115 3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.463 8.047 3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.967 9.757 3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.838 9.746 1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.660 9.577 0.779 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.226 9.055 1.410 1.00 0.00 H new ATOM 551 N GLU A 40 -5.178 8.975 -0.099 1.00 0.00 N ATOM 552 CA GLU A 40 -4.206 9.845 -0.750 1.00 0.00 C ATOM 553 C GLU A 40 -3.421 10.651 0.281 1.00 0.00 C ATOM 554 O GLU A 40 -3.928 11.600 0.881 1.00 0.00 O ATOM 555 CB GLU A 40 -4.908 10.790 -1.727 1.00 0.00 C ATOM 556 CG GLU A 40 -3.952 11.572 -2.612 1.00 0.00 C ATOM 557 CD GLU A 40 -4.508 12.921 -3.024 1.00 0.00 C ATOM 558 OE1 GLU A 40 -5.725 13.005 -3.292 1.00 0.00 O ATOM 559 OE2 GLU A 40 -3.726 13.893 -3.077 1.00 0.00 O ATOM 0 H GLU A 40 -6.118 9.023 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.507 9.217 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.582 10.211 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.523 11.491 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.010 11.718 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.729 10.987 -3.505 1.00 0.00 H new ATOM 566 N PRO A 41 -2.154 10.266 0.493 1.00 0.00 N ATOM 567 CA PRO A 41 -1.272 10.940 1.450 1.00 0.00 C ATOM 568 C PRO A 41 -0.873 12.337 0.988 1.00 0.00 C ATOM 569 O PRO A 41 -1.113 12.713 -0.159 1.00 0.00 O ATOM 570 CB PRO A 41 -0.046 10.025 1.507 1.00 0.00 C ATOM 571 CG PRO A 41 -0.041 9.317 0.196 1.00 0.00 C ATOM 572 CD PRO A 41 -1.485 9.145 -0.187 1.00 0.00 C ATOM 0 HA PRO A 41 -1.756 11.088 2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.870 10.598 1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.115 9.322 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.496 9.894 -0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.459 8.352 0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.622 9.191 -1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.877 8.183 0.144 1.00 0.00 H new ATOM 580 N ARG A 42 -0.264 13.102 1.888 1.00 0.00 N ATOM 581 CA ARG A 42 0.167 14.458 1.572 1.00 0.00 C ATOM 582 C ARG A 42 1.423 14.441 0.706 1.00 0.00 C ATOM 583 O ARG A 42 2.355 13.677 0.960 1.00 0.00 O ATOM 584 CB ARG A 42 0.432 15.244 2.858 1.00 0.00 C ATOM 585 CG ARG A 42 1.514 14.634 3.733 1.00 0.00 C ATOM 586 CD ARG A 42 2.073 15.650 4.717 1.00 0.00 C ATOM 587 NE ARG A 42 2.752 15.008 5.840 1.00 0.00 N ATOM 588 CZ ARG A 42 3.620 15.633 6.627 1.00 0.00 C ATOM 589 NH1 ARG A 42 3.914 16.909 6.417 1.00 0.00 N ATOM 590 NH2 ARG A 42 4.197 14.981 7.629 1.00 0.00 N ATOM 0 H ARG A 42 -0.058 12.806 2.842 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.632 14.946 1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.718 16.263 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.493 15.309 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.106 13.784 4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.319 14.253 3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.771 16.309 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.263 16.275 5.093 1.00 0.00 H new ATOM 0 HE ARG A 42 2.548 14.027 6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.473 17.414 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.581 17.385 7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.974 14.000 7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.864 15.461 8.233 1.00 0.00 H new ATOM 604 N CYS A 43 1.441 15.288 -0.317 1.00 0.00 N ATOM 605 CA CYS A 43 2.582 15.370 -1.223 1.00 0.00 C ATOM 606 C CYS A 43 2.592 16.702 -1.965 1.00 0.00 C ATOM 607 O CYS A 43 1.638 17.041 -2.665 1.00 0.00 O ATOM 608 CB CYS A 43 2.549 14.215 -2.224 1.00 0.00 C ATOM 609 SG CYS A 43 1.078 14.191 -3.276 1.00 0.00 S ATOM 0 H CYS A 43 0.679 15.928 -0.540 1.00 0.00 H new ATOM 0 HA CYS A 43 3.493 15.299 -0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.434 14.272 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.607 13.273 -1.678 1.00 0.00 H new ATOM 0 HG CYS A 43 1.351 14.753 -4.416 1.00 0.00 H new ATOM 615 N GLU A 44 3.677 17.454 -1.805 1.00 0.00 N ATOM 616 CA GLU A 44 3.809 18.751 -2.459 1.00 0.00 C ATOM 617 C GLU A 44 3.733 18.606 -3.976 1.00 0.00 C ATOM 618 O GLU A 44 3.354 19.541 -4.682 1.00 0.00 O ATOM 619 CB GLU A 44 5.131 19.413 -2.065 1.00 0.00 C ATOM 620 CG GLU A 44 5.142 20.919 -2.269 1.00 0.00 C ATOM 621 CD GLU A 44 4.282 21.651 -1.258 1.00 0.00 C ATOM 622 OE1 GLU A 44 3.043 21.516 -1.326 1.00 0.00 O ATOM 623 OE2 GLU A 44 4.848 22.359 -0.399 1.00 0.00 O ATOM 0 H GLU A 44 4.476 17.188 -1.229 1.00 0.00 H new ATOM 0 HA GLU A 44 2.983 19.381 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.339 19.195 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.938 18.970 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.167 21.284 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.789 21.148 -3.274 1.00 0.00 H new ATOM 630 N ARG A 45 4.095 17.427 -4.471 1.00 0.00 N ATOM 631 CA ARG A 45 4.070 17.159 -5.904 1.00 0.00 C ATOM 632 C ARG A 45 2.922 16.219 -6.261 1.00 0.00 C ATOM 633 O ARG A 45 2.468 15.416 -5.445 1.00 0.00 O ATOM 634 CB ARG A 45 5.400 16.552 -6.354 1.00 0.00 C ATOM 635 CG ARG A 45 6.601 17.439 -6.072 1.00 0.00 C ATOM 636 CD ARG A 45 6.644 18.634 -7.012 1.00 0.00 C ATOM 637 NE ARG A 45 7.572 19.662 -6.548 1.00 0.00 N ATOM 638 CZ ARG A 45 7.491 20.939 -6.904 1.00 0.00 C ATOM 639 NH1 ARG A 45 6.530 21.343 -7.723 1.00 0.00 N ATOM 640 NH2 ARG A 45 8.373 21.816 -6.440 1.00 0.00 N ATOM 0 H ARG A 45 4.409 16.642 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 45 3.917 18.105 -6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.541 15.594 -5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.353 16.348 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.563 17.788 -5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.517 16.858 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.939 18.302 -8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.645 19.061 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 45 8.323 19.384 -5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.850 20.672 -8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.470 22.324 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.114 21.509 -5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.310 22.796 -6.714 1.00 0.00 H new ATOM 654 N PRO A 46 2.440 16.320 -7.508 1.00 0.00 N ATOM 655 CA PRO A 46 1.340 15.487 -8.002 1.00 0.00 C ATOM 656 C PRO A 46 1.749 14.028 -8.174 1.00 0.00 C ATOM 657 O PRO A 46 2.749 13.726 -8.826 1.00 0.00 O ATOM 658 CB PRO A 46 1.003 16.111 -9.359 1.00 0.00 C ATOM 659 CG PRO A 46 2.263 16.777 -9.792 1.00 0.00 C ATOM 660 CD PRO A 46 2.933 17.255 -8.534 1.00 0.00 C ATOM 0 HA PRO A 46 0.501 15.467 -7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.689 15.353 -10.076 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.186 16.827 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.904 16.083 -10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.053 17.610 -10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.019 17.221 -8.620 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.663 18.285 -8.302 1.00 0.00 H new ATOM 668 N LEU A 47 0.970 13.127 -7.585 1.00 0.00 N ATOM 669 CA LEU A 47 1.252 11.698 -7.674 1.00 0.00 C ATOM 670 C LEU A 47 0.981 11.176 -9.081 1.00 0.00 C ATOM 671 O LEU A 47 0.136 11.709 -9.799 1.00 0.00 O ATOM 672 CB LEU A 47 0.404 10.928 -6.660 1.00 0.00 C ATOM 673 CG LEU A 47 0.474 11.420 -5.214 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.735 10.939 -4.427 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.763 10.954 -4.554 1.00 0.00 C ATOM 0 H LEU A 47 0.139 13.360 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 47 2.307 11.546 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.636 10.964 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.709 9.882 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 47 0.467 12.510 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.668 11.299 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.645 11.323 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.760 9.849 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.796 11.313 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.801 9.865 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.617 11.350 -5.104 1.00 0.00 H new ATOM 687 N GLN A 48 1.704 10.130 -9.468 1.00 0.00 N ATOM 688 CA GLN A 48 1.541 9.535 -10.789 1.00 0.00 C ATOM 689 C GLN A 48 0.792 8.209 -10.700 1.00 0.00 C ATOM 690 O GLN A 48 0.247 7.725 -11.691 1.00 0.00 O ATOM 691 CB GLN A 48 2.905 9.321 -11.447 1.00 0.00 C ATOM 692 CG GLN A 48 3.524 10.597 -11.993 1.00 0.00 C ATOM 693 CD GLN A 48 4.936 10.389 -12.503 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.342 9.264 -12.800 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.694 11.474 -12.609 1.00 0.00 N ATOM 0 H GLN A 48 2.408 9.677 -8.885 1.00 0.00 H new ATOM 0 HA GLN A 48 0.955 10.222 -11.400 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.585 8.880 -10.718 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.798 8.602 -12.259 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.902 10.980 -12.802 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.533 11.356 -11.211 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.317 12.386 -12.352 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.653 11.395 -12.948 1.00 0.00 H new ATOM 704 N GLY A 49 0.769 7.627 -9.505 1.00 0.00 N ATOM 705 CA GLY A 49 0.084 6.362 -9.309 1.00 0.00 C ATOM 706 C GLY A 49 0.220 5.843 -7.891 1.00 0.00 C ATOM 707 O GLY A 49 0.303 6.623 -6.943 1.00 0.00 O ATOM 0 H GLY A 49 1.212 8.008 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.972 6.483 -9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.485 5.624 -10.003 1.00 0.00 H new ATOM 711 N TYR A 50 0.240 4.523 -7.746 1.00 0.00 N ATOM 712 CA TYR A 50 0.361 3.900 -6.433 1.00 0.00 C ATOM 713 C TYR A 50 0.985 2.513 -6.544 1.00 0.00 C ATOM 714 O TYR A 50 1.165 1.986 -7.642 1.00 0.00 O ATOM 715 CB TYR A 50 -1.010 3.803 -5.762 1.00 0.00 C ATOM 716 CG TYR A 50 -1.538 5.132 -5.270 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.911 5.809 -4.231 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.665 5.709 -5.842 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.391 7.022 -3.777 1.00 0.00 C ATOM 720 CE2 TYR A 50 -3.151 6.922 -5.396 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.511 7.575 -4.363 1.00 0.00 C ATOM 722 OH TYR A 50 -2.992 8.784 -3.914 1.00 0.00 O ATOM 0 H TYR A 50 0.174 3.863 -8.521 1.00 0.00 H new ATOM 0 HA TYR A 50 1.013 4.524 -5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.722 3.378 -6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.946 3.113 -4.921 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.034 5.379 -3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.170 5.200 -6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.892 7.535 -2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.027 7.357 -5.853 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.785 9.034 -4.433 1.00 0.00 H new ATOM 732 N SER A 51 1.313 1.925 -5.398 1.00 0.00 N ATOM 733 CA SER A 51 1.920 0.599 -5.364 1.00 0.00 C ATOM 734 C SER A 51 1.413 -0.200 -4.167 1.00 0.00 C ATOM 735 O SER A 51 1.417 0.285 -3.036 1.00 0.00 O ATOM 736 CB SER A 51 3.444 0.714 -5.307 1.00 0.00 C ATOM 737 OG SER A 51 4.053 -0.565 -5.307 1.00 0.00 O ATOM 0 H SER A 51 1.169 2.346 -4.480 1.00 0.00 H new ATOM 0 HA SER A 51 1.637 0.073 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.800 1.290 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.737 1.260 -4.410 1.00 0.00 H new ATOM 0 HG SER A 51 5.020 -0.467 -5.433 1.00 0.00 H new ATOM 743 N VAL A 52 0.978 -1.429 -4.426 1.00 0.00 N ATOM 744 CA VAL A 52 0.469 -2.297 -3.371 1.00 0.00 C ATOM 745 C VAL A 52 1.220 -3.624 -3.341 1.00 0.00 C ATOM 746 O VAL A 52 0.958 -4.514 -4.149 1.00 0.00 O ATOM 747 CB VAL A 52 -1.035 -2.575 -3.550 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.572 -3.383 -2.378 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.803 -1.271 -3.706 1.00 0.00 C ATOM 0 H VAL A 52 0.968 -1.846 -5.357 1.00 0.00 H new ATOM 0 HA VAL A 52 0.624 -1.773 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.173 -3.162 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.636 -3.570 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.042 -4.333 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.423 -2.826 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.864 -1.486 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.660 -0.656 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.436 -0.735 -4.581 1.00 0.00 H new ATOM 759 N GLU A 53 2.154 -3.748 -2.404 1.00 0.00 N ATOM 760 CA GLU A 53 2.943 -4.966 -2.269 1.00 0.00 C ATOM 761 C GLU A 53 2.374 -5.866 -1.176 1.00 0.00 C ATOM 762 O GLU A 53 2.044 -5.401 -0.084 1.00 0.00 O ATOM 763 CB GLU A 53 4.401 -4.624 -1.955 1.00 0.00 C ATOM 764 CG GLU A 53 5.243 -4.355 -3.191 1.00 0.00 C ATOM 765 CD GLU A 53 6.450 -3.485 -2.897 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.377 -2.671 -1.953 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.466 -3.618 -3.610 1.00 0.00 O ATOM 0 H GLU A 53 2.383 -3.020 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 53 2.899 -5.503 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.428 -3.747 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.846 -5.446 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.577 -5.303 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.626 -3.870 -3.948 1.00 0.00 H new ATOM 774 N TYR A 54 2.261 -7.154 -1.478 1.00 0.00 N ATOM 775 CA TYR A 54 1.728 -8.119 -0.523 1.00 0.00 C ATOM 776 C TYR A 54 2.518 -9.424 -0.569 1.00 0.00 C ATOM 777 O TYR A 54 2.940 -9.868 -1.636 1.00 0.00 O ATOM 778 CB TYR A 54 0.251 -8.393 -0.812 1.00 0.00 C ATOM 779 CG TYR A 54 0.025 -9.290 -2.009 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.296 -10.651 -1.942 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.458 -8.776 -3.205 1.00 0.00 C ATOM 782 CE1 TYR A 54 0.092 -11.474 -3.032 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.667 -9.592 -4.301 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.390 -10.940 -4.209 1.00 0.00 C ATOM 785 OH TYR A 54 -0.596 -11.756 -5.298 1.00 0.00 O ATOM 0 H TYR A 54 2.531 -7.555 -2.376 1.00 0.00 H new ATOM 0 HA TYR A 54 1.822 -7.693 0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.204 -8.852 0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.260 -7.445 -0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.673 -11.073 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.674 -7.721 -3.280 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.309 -12.530 -2.963 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.045 -9.177 -5.224 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.939 -11.223 -6.046 1.00 0.00 H new ATOM 795 N GLN A 55 2.712 -10.032 0.597 1.00 0.00 N ATOM 796 CA GLN A 55 3.450 -11.285 0.691 1.00 0.00 C ATOM 797 C GLN A 55 3.214 -11.957 2.040 1.00 0.00 C ATOM 798 O GLN A 55 2.864 -11.298 3.020 1.00 0.00 O ATOM 799 CB GLN A 55 4.946 -11.037 0.486 1.00 0.00 C ATOM 800 CG GLN A 55 5.695 -10.736 1.774 1.00 0.00 C ATOM 801 CD GLN A 55 7.168 -10.462 1.542 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.726 -9.508 2.084 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.806 -11.300 0.733 1.00 0.00 N ATOM 0 H GLN A 55 2.368 -9.677 1.489 1.00 0.00 H new ATOM 0 HA GLN A 55 3.088 -11.950 -0.093 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.390 -11.914 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.076 -10.203 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.241 -9.873 2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.589 -11.579 2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.304 -12.078 0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.798 -11.166 0.540 1.00 0.00 H new ATOM 812 N LEU A 56 3.408 -13.270 2.083 1.00 0.00 N ATOM 813 CA LEU A 56 3.216 -14.032 3.312 1.00 0.00 C ATOM 814 C LEU A 56 3.921 -13.358 4.486 1.00 0.00 C ATOM 815 O LEU A 56 5.139 -13.180 4.472 1.00 0.00 O ATOM 816 CB LEU A 56 3.739 -15.458 3.139 1.00 0.00 C ATOM 817 CG LEU A 56 2.837 -16.414 2.358 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.600 -17.671 1.968 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.603 -16.769 3.174 1.00 0.00 C ATOM 0 H LEU A 56 3.698 -13.830 1.281 1.00 0.00 H new ATOM 0 HA LEU A 56 2.148 -14.068 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.705 -15.411 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.914 -15.882 4.128 1.00 0.00 H new ATOM 0 HG LEU A 56 2.513 -15.913 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.941 -18.339 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.452 -17.401 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.954 -18.175 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.972 -17.450 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.907 -17.250 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.044 -15.861 3.401 1.00 0.00 H new ATOM 831 N LEU A 57 3.147 -12.988 5.500 1.00 0.00 N ATOM 832 CA LEU A 57 3.697 -12.336 6.684 1.00 0.00 C ATOM 833 C LEU A 57 5.019 -12.978 7.094 1.00 0.00 C ATOM 834 O LEU A 57 5.968 -12.286 7.461 1.00 0.00 O ATOM 835 CB LEU A 57 2.700 -12.411 7.841 1.00 0.00 C ATOM 836 CG LEU A 57 2.857 -11.351 8.932 1.00 0.00 C ATOM 837 CD1 LEU A 57 2.720 -9.955 8.345 1.00 0.00 C ATOM 838 CD2 LEU A 57 1.836 -11.569 10.039 1.00 0.00 C ATOM 0 H LEU A 57 2.137 -13.128 5.527 1.00 0.00 H new ATOM 0 HA LEU A 57 3.882 -11.290 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.693 -12.336 7.432 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.784 -13.395 8.303 1.00 0.00 H new ATOM 0 HG LEU A 57 3.854 -11.445 9.362 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.835 -9.215 9.137 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.490 -9.801 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.737 -9.848 7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.963 -10.805 10.806 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.830 -11.503 9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.983 -12.555 10.480 1.00 0.00 H new ATOM 850 N ASN A 58 5.073 -14.304 7.027 1.00 0.00 N ATOM 851 CA ASN A 58 6.279 -15.039 7.390 1.00 0.00 C ATOM 852 C ASN A 58 7.397 -14.780 6.384 1.00 0.00 C ATOM 853 O ASN A 58 8.510 -14.412 6.759 1.00 0.00 O ATOM 854 CB ASN A 58 5.984 -16.538 7.466 1.00 0.00 C ATOM 855 CG ASN A 58 4.756 -16.844 8.301 1.00 0.00 C ATOM 856 OD1 ASN A 58 4.520 -16.214 9.332 1.00 0.00 O ATOM 857 ND2 ASN A 58 3.966 -17.816 7.859 1.00 0.00 N ATOM 0 H ASN A 58 4.296 -14.891 6.725 1.00 0.00 H new ATOM 0 HA ASN A 58 6.607 -14.690 8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.842 -16.929 6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.846 -17.054 7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.125 -18.066 8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.200 -18.312 6.999 1.00 0.00 H new ATOM 864 N GLY A 59 7.092 -14.975 5.105 1.00 0.00 N ATOM 865 CA GLY A 59 8.081 -14.757 4.065 1.00 0.00 C ATOM 866 C GLY A 59 8.006 -15.799 2.967 1.00 0.00 C ATOM 867 O GLY A 59 8.513 -16.910 3.119 1.00 0.00 O ATOM 0 H GLY A 59 6.178 -15.280 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.937 -13.767 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.077 -14.770 4.507 1.00 0.00 H new ATOM 871 N GLY A 60 7.370 -15.441 1.855 1.00 0.00 N ATOM 872 CA GLY A 60 7.241 -16.365 0.744 1.00 0.00 C ATOM 873 C GLY A 60 7.350 -15.673 -0.601 1.00 0.00 C ATOM 874 O GLY A 60 8.434 -15.250 -1.002 1.00 0.00 O ATOM 0 H GLY A 60 6.942 -14.527 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.014 -17.130 0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.280 -16.876 0.810 1.00 0.00 H new ATOM 878 N GLU A 61 6.225 -15.560 -1.300 1.00 0.00 N ATOM 879 CA GLU A 61 6.201 -14.918 -2.608 1.00 0.00 C ATOM 880 C GLU A 61 5.685 -13.485 -2.502 1.00 0.00 C ATOM 881 O GLU A 61 4.589 -13.244 -1.995 1.00 0.00 O ATOM 882 CB GLU A 61 5.325 -15.715 -3.577 1.00 0.00 C ATOM 883 CG GLU A 61 5.648 -15.461 -5.040 1.00 0.00 C ATOM 884 CD GLU A 61 5.002 -16.475 -5.964 1.00 0.00 C ATOM 885 OE1 GLU A 61 3.787 -16.724 -5.816 1.00 0.00 O ATOM 886 OE2 GLU A 61 5.711 -17.019 -6.836 1.00 0.00 O ATOM 0 H GLU A 61 5.319 -15.905 -0.982 1.00 0.00 H new ATOM 0 HA GLU A 61 7.222 -14.892 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.441 -16.778 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.279 -15.467 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.313 -14.460 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.729 -15.485 -5.179 1.00 0.00 H new ATOM 893 N LEU A 62 6.484 -12.538 -2.982 1.00 0.00 N ATOM 894 CA LEU A 62 6.110 -11.129 -2.941 1.00 0.00 C ATOM 895 C LEU A 62 5.543 -10.676 -4.283 1.00 0.00 C ATOM 896 O LEU A 62 6.148 -10.901 -5.332 1.00 0.00 O ATOM 897 CB LEU A 62 7.321 -10.271 -2.571 1.00 0.00 C ATOM 898 CG LEU A 62 7.111 -8.757 -2.620 1.00 0.00 C ATOM 899 CD1 LEU A 62 6.946 -8.288 -4.058 1.00 0.00 C ATOM 900 CD2 LEU A 62 5.903 -8.358 -1.785 1.00 0.00 C ATOM 0 H LEU A 62 7.395 -12.721 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 62 5.338 -11.005 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.638 -10.541 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.141 -10.526 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 62 7.993 -8.273 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.798 -7.208 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.841 -8.540 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.081 -8.780 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.769 -7.277 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.012 -8.851 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.061 -8.659 -0.749 1.00 0.00 H new ATOM 912 N HIS A 63 4.379 -10.036 -4.242 1.00 0.00 N ATOM 913 CA HIS A 63 3.731 -9.549 -5.455 1.00 0.00 C ATOM 914 C HIS A 63 3.555 -8.034 -5.405 1.00 0.00 C ATOM 915 O HIS A 63 2.909 -7.504 -4.501 1.00 0.00 O ATOM 916 CB HIS A 63 2.373 -10.226 -5.640 1.00 0.00 C ATOM 917 CG HIS A 63 2.466 -11.707 -5.847 1.00 0.00 C ATOM 918 ND1 HIS A 63 2.100 -12.327 -7.023 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.888 -12.691 -5.019 1.00 0.00 C ATOM 920 CE1 HIS A 63 2.291 -13.629 -6.909 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.769 -13.876 -5.703 1.00 0.00 N ATOM 0 H HIS A 63 3.865 -9.842 -3.382 1.00 0.00 H new ATOM 0 HA HIS A 63 4.370 -9.796 -6.303 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.755 -10.028 -4.764 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.867 -9.779 -6.495 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.251 -12.567 -4.009 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.090 -14.366 -7.672 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.011 -14.798 -5.339 1.00 0.00 H new ATOM 929 N ARG A 64 4.133 -7.344 -6.383 1.00 0.00 N ATOM 930 CA ARG A 64 4.042 -5.890 -6.449 1.00 0.00 C ATOM 931 C ARG A 64 2.978 -5.458 -7.455 1.00 0.00 C ATOM 932 O ARG A 64 3.053 -5.795 -8.637 1.00 0.00 O ATOM 933 CB ARG A 64 5.395 -5.289 -6.833 1.00 0.00 C ATOM 934 CG ARG A 64 5.412 -3.770 -6.823 1.00 0.00 C ATOM 935 CD ARG A 64 6.720 -3.223 -7.374 1.00 0.00 C ATOM 936 NE ARG A 64 6.833 -3.424 -8.816 1.00 0.00 N ATOM 937 CZ ARG A 64 7.742 -2.821 -9.573 1.00 0.00 C ATOM 938 NH1 ARG A 64 8.614 -1.983 -9.027 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.782 -3.055 -10.878 1.00 0.00 N ATOM 0 H ARG A 64 4.669 -7.768 -7.140 1.00 0.00 H new ATOM 0 HA ARG A 64 3.757 -5.524 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.155 -5.657 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.670 -5.640 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.580 -3.392 -7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.266 -3.410 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.791 -2.159 -7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.556 -3.711 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 64 6.178 -4.063 -9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.587 -1.801 -8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.311 -1.521 -9.611 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.114 -3.699 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.481 -2.591 -11.458 1.00 0.00 H new ATOM 953 N LEU A 65 1.989 -4.711 -6.977 1.00 0.00 N ATOM 954 CA LEU A 65 0.909 -4.233 -7.833 1.00 0.00 C ATOM 955 C LEU A 65 1.026 -2.731 -8.070 1.00 0.00 C ATOM 956 O LEU A 65 0.995 -1.940 -7.128 1.00 0.00 O ATOM 957 CB LEU A 65 -0.448 -4.558 -7.206 1.00 0.00 C ATOM 958 CG LEU A 65 -0.672 -6.018 -6.809 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.882 -6.143 -5.897 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.842 -6.887 -8.047 1.00 0.00 C ATOM 0 H LEU A 65 1.913 -4.423 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 65 0.989 -4.741 -8.794 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.574 -3.938 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.229 -4.270 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 65 0.205 -6.365 -6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.026 -7.189 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.721 -5.552 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.768 -5.778 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.000 -7.922 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.702 -6.540 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.055 -6.822 -8.663 1.00 0.00 H new ATOM 972 N ASN A 66 1.158 -2.345 -9.335 1.00 0.00 N ATOM 973 CA ASN A 66 1.278 -0.936 -9.695 1.00 0.00 C ATOM 974 C ASN A 66 -0.070 -0.369 -10.129 1.00 0.00 C ATOM 975 O ASN A 66 -0.892 -1.074 -10.716 1.00 0.00 O ATOM 976 CB ASN A 66 2.303 -0.761 -10.818 1.00 0.00 C ATOM 977 CG ASN A 66 3.705 -1.142 -10.385 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.312 -0.473 -9.548 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.228 -2.222 -10.955 1.00 0.00 N ATOM 0 H ASN A 66 1.185 -2.987 -10.127 1.00 0.00 H new ATOM 0 HA ASN A 66 1.616 -0.389 -8.815 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.011 -1.372 -11.672 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.298 0.276 -11.152 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.168 -2.527 -10.704 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.689 -2.747 -11.644 1.00 0.00 H new ATOM 986 N ILE A 67 -0.290 0.908 -9.837 1.00 0.00 N ATOM 987 CA ILE A 67 -1.537 1.570 -10.198 1.00 0.00 C ATOM 988 C ILE A 67 -1.302 2.650 -11.249 1.00 0.00 C ATOM 989 O ILE A 67 -0.707 3.693 -10.980 1.00 0.00 O ATOM 990 CB ILE A 67 -2.215 2.204 -8.969 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.076 1.287 -7.753 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.681 2.488 -9.260 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.573 -0.121 -7.997 1.00 0.00 C ATOM 0 H ILE A 67 0.379 1.505 -9.351 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.193 0.803 -10.609 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.719 3.149 -8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.028 1.247 -7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.628 1.719 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.146 2.936 -8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.758 3.176 -10.102 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.191 1.556 -9.505 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.443 -0.715 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.629 -0.093 -8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.005 -0.571 -8.811 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.782 2.396 -12.475 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.639 3.336 -13.591 1.00 0.00 C ATOM 1007 C PRO A 68 -2.492 4.587 -13.410 1.00 0.00 C ATOM 1008 O PRO A 68 -2.542 5.448 -14.286 1.00 0.00 O ATOM 1009 CB PRO A 68 -2.123 2.529 -14.799 1.00 0.00 C ATOM 1010 CG PRO A 68 -3.047 1.510 -14.227 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.502 1.173 -12.867 1.00 0.00 C ATOM 0 HA PRO A 68 -0.617 3.701 -13.687 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.634 3.165 -15.522 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.289 2.059 -15.321 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.062 1.901 -14.155 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.091 0.624 -14.860 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.299 0.933 -12.163 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.838 0.310 -12.903 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.161 4.680 -12.265 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.013 5.826 -11.969 1.00 0.00 C ATOM 1021 C ASN A 69 -3.748 6.351 -10.561 1.00 0.00 C ATOM 1022 O ASN A 69 -3.955 5.658 -9.564 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.487 5.443 -12.113 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.400 6.654 -12.124 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.057 7.699 -12.676 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.570 6.518 -11.510 1.00 0.00 N ATOM 0 H ASN A 69 -3.130 3.976 -11.528 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.778 6.616 -12.683 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.625 4.879 -13.036 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.771 4.785 -11.292 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.226 7.299 -11.483 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.813 5.633 -11.065 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.279 7.604 -10.475 1.00 0.00 N ATOM 1034 CA PRO A 70 -2.977 8.251 -9.195 1.00 0.00 C ATOM 1035 C PRO A 70 -4.235 8.562 -8.391 1.00 0.00 C ATOM 1036 O PRO A 70 -4.158 9.055 -7.266 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.273 9.546 -9.608 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.776 9.828 -10.981 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.009 8.488 -11.622 1.00 0.00 C ATOM 0 HA PRO A 70 -2.377 7.612 -8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.510 10.361 -8.924 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.189 9.428 -9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.697 10.409 -10.947 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.052 10.411 -11.549 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.850 8.515 -12.315 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.139 8.157 -12.189 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.392 8.270 -8.975 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.666 8.516 -8.312 1.00 0.00 C ATOM 1049 C ALA A 71 -7.230 7.232 -7.713 1.00 0.00 C ATOM 1050 O ALA A 71 -8.038 7.273 -6.785 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.661 9.126 -9.289 1.00 0.00 C ATOM 0 H ALA A 71 -5.473 7.863 -9.907 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.494 9.221 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.608 9.304 -8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.268 10.070 -9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.820 8.441 -10.122 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.800 6.095 -8.249 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.264 4.800 -7.767 1.00 0.00 C ATOM 1059 C GLN A 72 -6.543 4.407 -6.482 1.00 0.00 C ATOM 1060 O GLN A 72 -5.415 3.915 -6.515 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.048 3.727 -8.836 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.320 2.314 -8.343 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.741 1.255 -9.261 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.673 1.440 -10.476 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.321 0.136 -8.682 1.00 0.00 N ATOM 0 H GLN A 72 -6.131 6.044 -9.017 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.330 4.881 -7.554 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.696 3.937 -9.686 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.021 3.786 -9.196 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.899 2.194 -7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.396 2.165 -8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.397 0.026 -7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.923 -0.613 -9.248 1.00 0.00 H new ATOM 1074 N THR A 73 -7.202 4.628 -5.348 1.00 0.00 N ATOM 1075 CA THR A 73 -6.624 4.299 -4.052 1.00 0.00 C ATOM 1076 C THR A 73 -7.194 2.992 -3.511 1.00 0.00 C ATOM 1077 O THR A 73 -7.295 2.802 -2.300 1.00 0.00 O ATOM 1078 CB THR A 73 -6.875 5.419 -3.024 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.280 5.557 -2.784 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.307 6.741 -3.516 1.00 0.00 C ATOM 0 H THR A 73 -8.137 5.034 -5.302 1.00 0.00 H new ATOM 0 HA THR A 73 -5.550 4.189 -4.204 1.00 0.00 H new ATOM 0 HB THR A 73 -6.373 5.149 -2.095 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.431 6.269 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.496 7.517 -2.774 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.233 6.640 -3.670 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.785 7.015 -4.457 1.00 0.00 H new ATOM 1088 N SER A 74 -7.563 2.093 -4.418 1.00 0.00 N ATOM 1089 CA SER A 74 -8.125 0.804 -4.032 1.00 0.00 C ATOM 1090 C SER A 74 -7.855 -0.249 -5.102 1.00 0.00 C ATOM 1091 O SER A 74 -8.230 -0.082 -6.263 1.00 0.00 O ATOM 1092 CB SER A 74 -9.631 0.932 -3.795 1.00 0.00 C ATOM 1093 OG SER A 74 -10.269 1.562 -4.892 1.00 0.00 O ATOM 0 H SER A 74 -7.483 2.234 -5.425 1.00 0.00 H new ATOM 0 HA SER A 74 -7.644 0.488 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.063 -0.056 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.812 1.507 -2.887 1.00 0.00 H new ATOM 0 HG SER A 74 -9.829 1.293 -5.725 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.201 -1.335 -4.703 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.881 -2.417 -5.626 1.00 0.00 C ATOM 1101 C VAL A 75 -7.343 -3.762 -5.077 1.00 0.00 C ATOM 1102 O VAL A 75 -7.268 -4.014 -3.874 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.368 -2.483 -5.910 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.606 -2.882 -4.655 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.082 -3.451 -7.048 1.00 0.00 C ATOM 0 H VAL A 75 -6.882 -1.489 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.409 -2.207 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.029 -1.492 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.539 -2.923 -4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.787 -2.147 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.946 -3.862 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.009 -3.485 -7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.435 -4.446 -6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.597 -3.116 -7.948 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.821 -4.626 -5.968 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.295 -5.947 -5.574 1.00 0.00 C ATOM 1117 C VAL A 76 -7.195 -6.992 -5.724 1.00 0.00 C ATOM 1118 O VAL A 76 -6.632 -7.166 -6.805 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.515 -6.378 -6.408 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -9.813 -7.855 -6.196 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.726 -5.526 -6.060 1.00 0.00 C ATOM 0 H VAL A 76 -7.890 -4.434 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.587 -5.879 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.284 -6.227 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.679 -8.141 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.950 -8.448 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.024 -8.036 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.579 -5.844 -6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.961 -5.643 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.506 -4.479 -6.269 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.894 -7.688 -4.632 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.862 -8.718 -4.642 1.00 0.00 C ATOM 1133 C VAL A 77 -6.478 -10.113 -4.623 1.00 0.00 C ATOM 1134 O VAL A 77 -7.196 -10.471 -3.691 1.00 0.00 O ATOM 1135 CB VAL A 77 -4.911 -8.572 -3.440 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.868 -9.679 -3.446 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.248 -7.203 -3.449 1.00 0.00 C ATOM 0 H VAL A 77 -7.350 -7.557 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.293 -8.587 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.495 -8.662 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.205 -9.559 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.365 -10.647 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.285 -9.625 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.579 -7.117 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.677 -7.082 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.012 -6.428 -3.392 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.190 -10.895 -5.659 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.717 -12.251 -5.760 1.00 0.00 C ATOM 1149 C GLU A 78 -5.586 -13.264 -5.912 1.00 0.00 C ATOM 1150 O GLU A 78 -4.408 -12.908 -5.863 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.677 -12.362 -6.946 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.833 -11.376 -6.888 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.922 -11.694 -7.893 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -10.656 -12.682 -7.679 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.041 -10.957 -8.894 1.00 0.00 O ATOM 0 H GLU A 78 -5.596 -10.613 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.259 -12.472 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.120 -12.202 -7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.076 -13.375 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.258 -11.379 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.457 -10.370 -7.072 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.952 -14.528 -6.096 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.969 -15.593 -6.255 1.00 0.00 C ATOM 1164 C ASP A 79 -4.115 -15.737 -4.999 1.00 0.00 C ATOM 1165 O ASP A 79 -2.890 -15.836 -5.077 1.00 0.00 O ATOM 1166 CB ASP A 79 -4.076 -15.315 -7.465 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.875 -15.062 -8.729 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -5.394 -16.039 -9.308 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -4.981 -13.888 -9.137 1.00 0.00 O ATOM 0 H ASP A 79 -6.922 -14.840 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.506 -16.528 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.447 -14.450 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.410 -16.163 -7.624 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.769 -15.746 -3.843 1.00 0.00 N ATOM 1175 CA LEU A 80 -4.070 -15.876 -2.569 1.00 0.00 C ATOM 1176 C LEU A 80 -4.284 -17.263 -1.970 1.00 0.00 C ATOM 1177 O LEU A 80 -4.964 -18.106 -2.556 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.551 -14.805 -1.589 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.519 -13.364 -2.101 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.617 -12.541 -1.446 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.156 -12.737 -1.846 1.00 0.00 C ATOM 0 H LEU A 80 -5.782 -15.665 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.004 -15.740 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.573 -15.043 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.939 -14.863 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.695 -13.377 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.579 -11.519 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.588 -12.978 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.472 -12.536 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.152 -11.712 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.950 -12.736 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.388 -13.313 -2.363 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.701 -17.491 -0.799 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.829 -18.775 -0.118 1.00 0.00 C ATOM 1195 C LEU A 81 -4.753 -18.660 1.091 1.00 0.00 C ATOM 1196 O LEU A 81 -4.718 -17.684 1.840 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.455 -19.281 0.323 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.535 -19.782 -0.792 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.096 -19.852 -0.305 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -1.997 -21.143 -1.293 1.00 0.00 C ATOM 0 H LEU A 81 -3.135 -16.804 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.264 -19.488 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.946 -18.476 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.600 -20.091 1.038 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.583 -19.076 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.544 -20.210 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.232 -18.860 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.031 -20.536 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.331 -21.484 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.979 -21.859 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.012 -21.062 -1.681 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.599 -19.683 1.289 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.546 -19.721 2.407 1.00 0.00 C ATOM 1214 C PRO A 82 -5.849 -19.910 3.750 1.00 0.00 C ATOM 1215 O PRO A 82 -4.880 -20.660 3.857 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.424 -20.933 2.086 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.569 -21.806 1.235 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.695 -20.879 0.436 1.00 0.00 C ATOM 0 HA PRO A 82 -7.101 -18.788 2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.735 -21.448 2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.332 -20.636 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.968 -22.479 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.178 -22.429 0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.715 -21.316 0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.136 -20.647 -0.534 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.350 -19.224 4.773 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.775 -19.316 6.110 1.00 0.00 C ATOM 1228 C ASN A 83 -4.288 -18.977 6.087 1.00 0.00 C ATOM 1229 O ASN A 83 -3.455 -19.754 6.555 1.00 0.00 O ATOM 1230 CB ASN A 83 -5.980 -20.721 6.680 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.439 -21.022 6.966 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.788 -21.484 8.052 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.299 -20.760 5.988 1.00 0.00 N ATOM 0 H ASN A 83 -7.153 -18.599 4.701 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.284 -18.594 6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.592 -21.456 5.975 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.403 -20.825 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.294 -20.942 6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.965 -20.377 5.104 1.00 0.00 H new ATOM 1240 N HIS A 84 -3.961 -17.810 5.540 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.574 -17.367 5.457 1.00 0.00 C ATOM 1242 C HIS A 84 -2.479 -15.850 5.595 1.00 0.00 C ATOM 1243 O HIS A 84 -3.285 -15.114 5.028 1.00 0.00 O ATOM 1244 CB HIS A 84 -1.953 -17.809 4.132 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.545 -19.250 4.113 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.441 -20.288 4.264 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.330 -19.825 3.957 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.794 -21.438 4.204 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.511 -21.185 4.018 1.00 0.00 N ATOM 0 H HIS A 84 -4.637 -17.155 5.148 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.023 -17.825 6.278 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.668 -17.632 3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.080 -17.190 3.925 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.446 -20.184 4.401 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.608 -19.310 3.812 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.238 -22.418 4.292 1.00 0.00 H new ATOM 1257 N SER A 85 -1.489 -15.391 6.354 1.00 0.00 N ATOM 1258 CA SER A 85 -1.292 -13.962 6.571 1.00 0.00 C ATOM 1259 C SER A 85 -0.501 -13.343 5.423 1.00 0.00 C ATOM 1260 O SER A 85 0.396 -13.972 4.861 1.00 0.00 O ATOM 1261 CB SER A 85 -0.564 -13.722 7.895 1.00 0.00 C ATOM 1262 OG SER A 85 -1.434 -13.915 8.998 1.00 0.00 O ATOM 0 H SER A 85 -0.811 -15.987 6.829 1.00 0.00 H new ATOM 0 HA SER A 85 -2.272 -13.487 6.612 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.285 -14.400 7.975 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.165 -12.708 7.916 1.00 0.00 H new ATOM 0 HG SER A 85 -0.944 -13.757 9.832 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.840 -12.105 5.080 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.165 -11.400 3.997 1.00 0.00 C ATOM 1270 C TYR A 86 0.050 -9.932 4.354 1.00 0.00 C ATOM 1271 O TYR A 86 -0.907 -9.175 4.518 1.00 0.00 O ATOM 1272 CB TYR A 86 -0.976 -11.509 2.705 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.874 -12.862 2.039 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.251 -13.213 1.301 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.901 -13.791 2.148 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.348 -14.448 0.690 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.812 -15.030 1.541 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.686 -15.353 0.813 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.593 -16.585 0.207 1.00 0.00 O ATOM 0 H TYR A 86 -1.578 -11.569 5.536 1.00 0.00 H new ATOM 0 HA TYR A 86 0.809 -11.865 3.846 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.023 -11.299 2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.637 -10.743 2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.063 -12.508 1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.784 -13.541 2.717 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.228 -14.704 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.620 -15.741 1.636 1.00 0.00 H new ATOM 0 HH TYR A 86 0.314 -16.710 -0.142 1.00 0.00 H new ATOM 1289 N VAL A 87 1.313 -9.537 4.471 1.00 0.00 N ATOM 1290 CA VAL A 87 1.656 -8.160 4.806 1.00 0.00 C ATOM 1291 C VAL A 87 1.436 -7.233 3.615 1.00 0.00 C ATOM 1292 O VAL A 87 2.210 -7.240 2.658 1.00 0.00 O ATOM 1293 CB VAL A 87 3.120 -8.042 5.270 1.00 0.00 C ATOM 1294 CG1 VAL A 87 4.067 -8.490 4.167 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.429 -6.617 5.703 1.00 0.00 C ATOM 0 H VAL A 87 2.116 -10.151 4.339 1.00 0.00 H new ATOM 0 HA VAL A 87 0.999 -7.861 5.622 1.00 0.00 H new ATOM 0 HB VAL A 87 3.265 -8.697 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.097 -8.400 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.860 -9.529 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.923 -7.863 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.468 -6.552 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.268 -5.939 4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.773 -6.337 6.527 1.00 0.00 H new ATOM 1305 N PHE A 88 0.374 -6.437 3.681 1.00 0.00 N ATOM 1306 CA PHE A 88 0.051 -5.504 2.608 1.00 0.00 C ATOM 1307 C PHE A 88 0.699 -4.145 2.855 1.00 0.00 C ATOM 1308 O PHE A 88 0.234 -3.365 3.687 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.465 -5.343 2.483 1.00 0.00 C ATOM 1310 CG PHE A 88 -2.131 -6.481 1.764 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.524 -7.618 2.452 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.366 -6.414 0.400 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -3.136 -8.667 1.792 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.978 -7.460 -0.265 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.365 -8.587 0.433 1.00 0.00 C ATOM 0 H PHE A 88 -0.277 -6.419 4.466 1.00 0.00 H new ATOM 0 HA PHE A 88 0.445 -5.911 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.896 -5.252 3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.681 -4.414 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.350 -7.685 3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.067 -5.534 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.435 -9.549 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.153 -7.396 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.846 -9.404 -0.083 1.00 0.00 H new ATOM 1325 N ARG A 89 1.776 -3.868 2.127 1.00 0.00 N ATOM 1326 CA ARG A 89 2.489 -2.604 2.267 1.00 0.00 C ATOM 1327 C ARG A 89 2.146 -1.656 1.122 1.00 0.00 C ATOM 1328 O ARG A 89 2.635 -1.814 0.004 1.00 0.00 O ATOM 1329 CB ARG A 89 3.999 -2.848 2.307 1.00 0.00 C ATOM 1330 CG ARG A 89 4.442 -3.736 3.458 1.00 0.00 C ATOM 1331 CD ARG A 89 5.926 -3.574 3.747 1.00 0.00 C ATOM 1332 NE ARG A 89 6.502 -4.776 4.345 1.00 0.00 N ATOM 1333 CZ ARG A 89 6.551 -5.952 3.728 1.00 0.00 C ATOM 1334 NH1 ARG A 89 6.061 -6.083 2.503 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.091 -7.000 4.338 1.00 0.00 N ATOM 0 H ARG A 89 2.174 -4.502 1.434 1.00 0.00 H new ATOM 0 HA ARG A 89 2.177 -2.142 3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.310 -3.304 1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.512 -1.889 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.867 -3.490 4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.228 -4.778 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.452 -3.342 2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.074 -2.728 4.419 1.00 0.00 H new ATOM 0 HE ARG A 89 6.887 -4.709 5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.645 -5.280 2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.100 -6.987 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.468 -6.903 5.281 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.128 -7.902 3.864 1.00 0.00 H new ATOM 1349 N VAL A 90 1.302 -0.670 1.410 1.00 0.00 N ATOM 1350 CA VAL A 90 0.894 0.305 0.405 1.00 0.00 C ATOM 1351 C VAL A 90 1.809 1.524 0.419 1.00 0.00 C ATOM 1352 O VAL A 90 2.511 1.776 1.399 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.559 0.764 0.627 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.919 1.881 -0.342 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.516 -0.409 0.481 1.00 0.00 C ATOM 0 H VAL A 90 0.888 -0.525 2.331 1.00 0.00 H new ATOM 0 HA VAL A 90 0.967 -0.189 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.649 1.152 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.949 2.193 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.252 2.729 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.814 1.522 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.538 -0.067 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.427 -0.829 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.270 -1.173 1.218 1.00 0.00 H new ATOM 1365 N ARG A 91 1.796 2.279 -0.675 1.00 0.00 N ATOM 1366 CA ARG A 91 2.626 3.473 -0.789 1.00 0.00 C ATOM 1367 C ARG A 91 2.267 4.265 -2.043 1.00 0.00 C ATOM 1368 O ARG A 91 1.529 3.786 -2.903 1.00 0.00 O ATOM 1369 CB ARG A 91 4.107 3.089 -0.821 1.00 0.00 C ATOM 1370 CG ARG A 91 4.456 2.098 -1.919 1.00 0.00 C ATOM 1371 CD ARG A 91 5.961 1.940 -2.069 1.00 0.00 C ATOM 1372 NE ARG A 91 6.308 0.943 -3.078 1.00 0.00 N ATOM 1373 CZ ARG A 91 7.490 0.339 -3.137 1.00 0.00 C ATOM 1374 NH1 ARG A 91 8.431 0.628 -2.250 1.00 0.00 N ATOM 1375 NH2 ARG A 91 7.731 -0.558 -4.085 1.00 0.00 N ATOM 0 H ARG A 91 1.220 2.085 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 91 2.440 4.101 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.705 3.991 -0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.384 2.662 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.008 1.130 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.028 2.434 -2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.401 2.899 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.393 1.651 -1.111 1.00 0.00 H new ATOM 0 HE ARG A 91 5.605 0.697 -3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.249 1.316 -1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.337 0.163 -2.298 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.009 -0.784 -4.769 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.639 -1.021 -4.130 1.00 0.00 H new ATOM 1389 N ALA A 92 2.795 5.481 -2.139 1.00 0.00 N ATOM 1390 CA ALA A 92 2.532 6.340 -3.287 1.00 0.00 C ATOM 1391 C ALA A 92 3.833 6.829 -3.916 1.00 0.00 C ATOM 1392 O ALA A 92 4.889 6.791 -3.286 1.00 0.00 O ATOM 1393 CB ALA A 92 1.666 7.521 -2.875 1.00 0.00 C ATOM 0 H ALA A 92 3.408 5.893 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 92 1.996 5.754 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.478 8.154 -3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.718 7.157 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.181 8.100 -2.108 1.00 0.00 H new ATOM 1399 N GLN A 93 3.747 7.287 -5.161 1.00 0.00 N ATOM 1400 CA GLN A 93 4.918 7.782 -5.874 1.00 0.00 C ATOM 1401 C GLN A 93 4.676 9.190 -6.407 1.00 0.00 C ATOM 1402 O GLN A 93 3.575 9.517 -6.849 1.00 0.00 O ATOM 1403 CB GLN A 93 5.274 6.842 -7.027 1.00 0.00 C ATOM 1404 CG GLN A 93 6.469 7.306 -7.844 1.00 0.00 C ATOM 1405 CD GLN A 93 7.156 6.167 -8.572 1.00 0.00 C ATOM 1406 OE1 GLN A 93 8.382 6.054 -8.555 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.367 5.316 -9.218 1.00 0.00 N ATOM 0 H GLN A 93 2.879 7.325 -5.696 1.00 0.00 H new ATOM 0 HA GLN A 93 5.751 7.817 -5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.482 5.850 -6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.410 6.744 -7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.141 8.051 -8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.186 7.796 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.356 5.448 -9.205 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.772 4.530 -9.727 1.00 0.00 H new ATOM 1416 N SER A 94 5.713 10.021 -6.361 1.00 0.00 N ATOM 1417 CA SER A 94 5.612 11.396 -6.835 1.00 0.00 C ATOM 1418 C SER A 94 6.861 11.796 -7.614 1.00 0.00 C ATOM 1419 O SER A 94 7.802 11.012 -7.741 1.00 0.00 O ATOM 1420 CB SER A 94 5.404 12.350 -5.657 1.00 0.00 C ATOM 1421 OG SER A 94 6.621 12.583 -4.969 1.00 0.00 O ATOM 0 H SER A 94 6.632 9.766 -6.000 1.00 0.00 H new ATOM 0 HA SER A 94 4.753 11.462 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.000 13.296 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.669 11.930 -4.970 1.00 0.00 H new ATOM 0 HG SER A 94 6.592 13.465 -4.543 1.00 0.00 H new ATOM 1427 N GLN A 95 6.862 13.020 -8.132 1.00 0.00 N ATOM 1428 CA GLN A 95 7.995 13.523 -8.899 1.00 0.00 C ATOM 1429 C GLN A 95 9.315 13.113 -8.253 1.00 0.00 C ATOM 1430 O GLN A 95 10.253 12.710 -8.941 1.00 0.00 O ATOM 1431 CB GLN A 95 7.923 15.047 -9.014 1.00 0.00 C ATOM 1432 CG GLN A 95 9.065 15.651 -9.816 1.00 0.00 C ATOM 1433 CD GLN A 95 8.925 17.150 -9.991 1.00 0.00 C ATOM 1434 OE1 GLN A 95 9.268 17.926 -9.099 1.00 0.00 O ATOM 1435 NE2 GLN A 95 8.419 17.567 -11.146 1.00 0.00 N ATOM 0 H GLN A 95 6.091 13.681 -8.034 1.00 0.00 H new ATOM 0 HA GLN A 95 7.948 13.087 -9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.977 15.324 -9.479 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.924 15.479 -8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.009 15.434 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.106 15.177 -10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.148 16.889 -11.858 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.302 18.565 -11.321 1.00 0.00 H new ATOM 1444 N GLU A 96 9.379 13.219 -6.930 1.00 0.00 N ATOM 1445 CA GLU A 96 10.585 12.859 -6.193 1.00 0.00 C ATOM 1446 C GLU A 96 10.815 11.351 -6.229 1.00 0.00 C ATOM 1447 O GLU A 96 11.858 10.882 -6.683 1.00 0.00 O ATOM 1448 CB GLU A 96 10.485 13.336 -4.743 1.00 0.00 C ATOM 1449 CG GLU A 96 10.963 14.764 -4.538 1.00 0.00 C ATOM 1450 CD GLU A 96 12.455 14.848 -4.279 1.00 0.00 C ATOM 1451 OE1 GLU A 96 13.192 13.968 -4.771 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.885 15.792 -3.584 1.00 0.00 O ATOM 0 H GLU A 96 8.611 13.551 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 96 11.432 13.350 -6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.449 13.258 -4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.071 12.671 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.717 15.356 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.427 15.206 -3.698 1.00 0.00 H new ATOM 1459 N GLY A 97 9.833 10.597 -5.746 1.00 0.00 N ATOM 1460 CA GLY A 97 9.947 9.150 -5.731 1.00 0.00 C ATOM 1461 C GLY A 97 8.989 8.503 -4.750 1.00 0.00 C ATOM 1462 O GLY A 97 8.014 9.122 -4.324 1.00 0.00 O ATOM 0 H GLY A 97 8.960 10.962 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.754 8.763 -6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.969 8.872 -5.473 1.00 0.00 H new ATOM 1466 N TRP A 98 9.266 7.254 -4.392 1.00 0.00 N ATOM 1467 CA TRP A 98 8.420 6.522 -3.456 1.00 0.00 C ATOM 1468 C TRP A 98 8.750 6.898 -2.016 1.00 0.00 C ATOM 1469 O TRP A 98 9.865 6.675 -1.546 1.00 0.00 O ATOM 1470 CB TRP A 98 8.589 5.015 -3.655 1.00 0.00 C ATOM 1471 CG TRP A 98 8.154 4.542 -5.009 1.00 0.00 C ATOM 1472 CD1 TRP A 98 8.952 4.321 -6.095 1.00 0.00 C ATOM 1473 CD2 TRP A 98 6.818 4.235 -5.421 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.192 3.895 -7.158 1.00 0.00 N ATOM 1475 CE2 TRP A 98 6.880 3.832 -6.770 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.576 4.258 -4.782 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 5.747 3.458 -7.487 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.452 3.887 -5.496 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.544 3.491 -6.837 1.00 0.00 C ATOM 0 H TRP A 98 10.069 6.727 -4.735 1.00 0.00 H new ATOM 0 HA TRP A 98 7.383 6.793 -3.654 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.636 4.751 -3.505 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.015 4.488 -2.892 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.023 4.460 -6.116 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.547 3.663 -8.086 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.495 4.560 -3.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 5.815 3.152 -8.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.487 3.903 -5.012 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.647 3.206 -7.368 1.00 0.00 H new ATOM 1490 N GLY A 99 7.772 7.468 -1.318 1.00 0.00 N ATOM 1491 CA GLY A 99 7.980 7.865 0.062 1.00 0.00 C ATOM 1492 C GLY A 99 7.933 6.688 1.017 1.00 0.00 C ATOM 1493 O GLY A 99 8.693 5.731 0.871 1.00 0.00 O ATOM 0 H GLY A 99 6.840 7.662 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.945 8.364 0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.218 8.591 0.347 1.00 0.00 H new ATOM 1497 N ARG A 100 7.039 6.760 1.998 1.00 0.00 N ATOM 1498 CA ARG A 100 6.898 5.693 2.982 1.00 0.00 C ATOM 1499 C ARG A 100 5.728 4.780 2.630 1.00 0.00 C ATOM 1500 O ARG A 100 4.995 5.035 1.675 1.00 0.00 O ATOM 1501 CB ARG A 100 6.696 6.283 4.379 1.00 0.00 C ATOM 1502 CG ARG A 100 7.993 6.674 5.069 1.00 0.00 C ATOM 1503 CD ARG A 100 7.774 7.795 6.073 1.00 0.00 C ATOM 1504 NE ARG A 100 9.033 8.389 6.513 1.00 0.00 N ATOM 1505 CZ ARG A 100 9.158 9.109 7.623 1.00 0.00 C ATOM 1506 NH1 ARG A 100 8.106 9.322 8.400 1.00 0.00 N ATOM 1507 NH2 ARG A 100 10.338 9.617 7.956 1.00 0.00 N ATOM 0 H ARG A 100 6.402 7.545 2.133 1.00 0.00 H new ATOM 0 HA ARG A 100 7.813 5.101 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.055 7.162 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.170 5.557 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.412 5.806 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.722 6.990 4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.147 8.566 5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.234 7.407 6.937 1.00 0.00 H new ATOM 0 HE ARG A 100 9.862 8.243 5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.198 8.933 8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.204 9.875 9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.150 9.455 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.433 10.170 8.808 1.00 0.00 H new ATOM 1521 N GLU A 101 5.559 3.715 3.408 1.00 0.00 N ATOM 1522 CA GLU A 101 4.479 2.764 3.177 1.00 0.00 C ATOM 1523 C GLU A 101 3.764 2.424 4.482 1.00 0.00 C ATOM 1524 O GLU A 101 4.237 2.762 5.567 1.00 0.00 O ATOM 1525 CB GLU A 101 5.024 1.487 2.534 1.00 0.00 C ATOM 1526 CG GLU A 101 6.129 0.824 3.338 1.00 0.00 C ATOM 1527 CD GLU A 101 5.763 0.647 4.798 1.00 0.00 C ATOM 1528 OE1 GLU A 101 4.691 0.070 5.076 1.00 0.00 O ATOM 1529 OE2 GLU A 101 6.549 1.085 5.664 1.00 0.00 O ATOM 0 H GLU A 101 6.156 3.490 4.203 1.00 0.00 H new ATOM 0 HA GLU A 101 3.761 3.226 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.206 0.778 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.402 1.724 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.355 -0.150 2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.036 1.424 3.265 1.00 0.00 H new ATOM 1536 N ARG A 102 2.622 1.755 4.367 1.00 0.00 N ATOM 1537 CA ARG A 102 1.841 1.371 5.536 1.00 0.00 C ATOM 1538 C ARG A 102 1.672 -0.144 5.604 1.00 0.00 C ATOM 1539 O ARG A 102 1.209 -0.769 4.650 1.00 0.00 O ATOM 1540 CB ARG A 102 0.469 2.047 5.504 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.504 1.499 6.535 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.220 2.058 7.921 1.00 0.00 C ATOM 1543 NE ARG A 102 -0.603 1.124 8.976 1.00 0.00 N ATOM 1544 CZ ARG A 102 -0.894 1.497 10.217 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -0.846 2.778 10.557 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -1.233 0.588 11.122 1.00 0.00 N ATOM 0 H ARG A 102 2.217 1.468 3.476 1.00 0.00 H new ATOM 0 HA ARG A 102 2.380 1.699 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.596 3.117 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.038 1.928 4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.524 1.748 6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.436 0.411 6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.842 2.288 8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.761 2.995 8.052 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.650 0.131 8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.585 3.480 9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.070 3.061 11.511 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.270 -0.398 10.865 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.456 0.876 12.075 1.00 0.00 H new ATOM 1560 N GLU A 103 2.051 -0.727 6.737 1.00 0.00 N ATOM 1561 CA GLU A 103 1.942 -2.169 6.927 1.00 0.00 C ATOM 1562 C GLU A 103 0.517 -2.562 7.307 1.00 0.00 C ATOM 1563 O GLU A 103 -0.129 -1.893 8.113 1.00 0.00 O ATOM 1564 CB GLU A 103 2.918 -2.638 8.009 1.00 0.00 C ATOM 1565 CG GLU A 103 3.366 -4.080 7.840 1.00 0.00 C ATOM 1566 CD GLU A 103 4.036 -4.632 9.083 1.00 0.00 C ATOM 1567 OE1 GLU A 103 4.731 -3.860 9.776 1.00 0.00 O ATOM 1568 OE2 GLU A 103 3.863 -5.837 9.364 1.00 0.00 O ATOM 0 H GLU A 103 2.436 -0.224 7.536 1.00 0.00 H new ATOM 0 HA GLU A 103 2.195 -2.654 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.795 -1.991 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.447 -2.525 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.503 -4.698 7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.057 -4.146 7.000 1.00 0.00 H new ATOM 1575 N GLY A 104 0.033 -3.652 6.719 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.311 -4.115 7.007 1.00 0.00 C ATOM 1577 C GLY A 104 -1.503 -5.582 6.677 1.00 0.00 C ATOM 1578 O GLY A 104 -1.909 -5.928 5.567 1.00 0.00 O ATOM 0 H GLY A 104 0.548 -4.222 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.530 -3.952 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.026 -3.521 6.438 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.207 -6.448 7.641 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.348 -7.886 7.447 1.00 0.00 C ATOM 1584 C VAL A 105 -2.795 -8.327 7.636 1.00 0.00 C ATOM 1585 O VAL A 105 -3.476 -7.877 8.559 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.451 -8.674 8.420 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -0.774 -8.307 9.860 1.00 0.00 C ATOM 1588 CG2 VAL A 105 -0.608 -10.170 8.194 1.00 0.00 C ATOM 0 H VAL A 105 -0.868 -6.178 8.564 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.037 -8.099 6.424 1.00 0.00 H new ATOM 0 HB VAL A 105 0.588 -8.407 8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.130 -8.874 10.533 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.607 -7.240 10.010 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.817 -8.544 10.071 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.033 -10.712 8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.647 -10.456 8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.322 -10.415 7.171 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.259 -9.209 6.758 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.625 -9.712 6.829 1.00 0.00 C ATOM 1600 C ILE A 106 -4.645 -11.228 6.991 1.00 0.00 C ATOM 1601 O ILE A 106 -3.792 -11.933 6.452 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.433 -9.330 5.574 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.891 -9.768 5.727 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.812 -9.957 4.335 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.722 -8.819 6.561 1.00 0.00 C ATOM 0 H ILE A 106 -2.709 -9.590 5.989 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.086 -9.249 7.702 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.410 -8.246 5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.340 -9.859 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.919 -10.758 6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.393 -9.679 3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.788 -9.600 4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.809 -11.042 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.744 -9.192 6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.297 -8.747 7.562 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.725 -7.833 6.096 1.00 0.00 H new ATOM 1617 N THR A 107 -5.627 -11.725 7.737 1.00 0.00 N ATOM 1618 CA THR A 107 -5.759 -13.158 7.970 1.00 0.00 C ATOM 1619 C THR A 107 -6.984 -13.720 7.257 1.00 0.00 C ATOM 1620 O THR A 107 -8.120 -13.410 7.617 1.00 0.00 O ATOM 1621 CB THR A 107 -5.865 -13.475 9.474 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.613 -13.213 10.118 1.00 0.00 O ATOM 1623 CG2 THR A 107 -6.260 -14.927 9.694 1.00 0.00 C ATOM 0 H THR A 107 -6.342 -11.156 8.190 1.00 0.00 H new ATOM 0 HA THR A 107 -4.861 -13.628 7.569 1.00 0.00 H new ATOM 0 HB THR A 107 -6.636 -12.836 9.905 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.688 -13.415 11.074 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.329 -15.127 10.763 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.226 -15.116 9.227 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.508 -15.580 9.250 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.745 -14.547 6.245 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.830 -15.153 5.483 1.00 0.00 C ATOM 1633 C ILE A 108 -8.679 -16.063 6.364 1.00 0.00 C ATOM 1634 O ILE A 108 -8.211 -17.097 6.838 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.293 -15.968 4.291 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.448 -15.078 3.376 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.443 -16.593 3.516 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.252 -14.025 2.647 1.00 0.00 C ATOM 0 H ILE A 108 -5.811 -14.813 5.934 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.446 -14.336 5.107 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.660 -16.769 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.677 -14.588 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.937 -15.704 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.048 -17.166 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.007 -17.255 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.099 -15.807 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.589 -13.432 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.006 -14.508 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.742 -13.375 3.372 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.931 -15.669 6.577 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.846 -16.450 7.401 1.00 0.00 C ATOM 1652 C GLU A 109 -12.047 -16.921 6.585 1.00 0.00 C ATOM 1653 O GLU A 109 -12.868 -16.115 6.148 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.322 -15.624 8.598 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.240 -15.375 9.634 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.803 -14.931 10.971 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -11.251 -15.803 11.745 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -10.794 -13.713 11.243 1.00 0.00 O ATOM 0 H GLU A 109 -10.334 -14.815 6.191 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.309 -17.326 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.699 -14.666 8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.158 -16.137 9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.659 -16.287 9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.554 -14.614 9.262 1.00 0.00 H new ATOM 1665 N SER A 110 -12.140 -18.231 6.382 1.00 0.00 N ATOM 1666 CA SER A 110 -13.236 -18.810 5.614 1.00 0.00 C ATOM 1667 C SER A 110 -14.038 -19.790 6.465 1.00 0.00 C ATOM 1668 O SER A 110 -14.409 -20.869 6.004 1.00 0.00 O ATOM 1669 CB SER A 110 -12.698 -19.519 4.370 1.00 0.00 C ATOM 1670 OG SER A 110 -13.754 -19.943 3.527 1.00 0.00 O ATOM 0 H SER A 110 -11.469 -18.912 6.739 1.00 0.00 H new ATOM 0 HA SER A 110 -13.896 -18.000 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.038 -18.847 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.099 -20.379 4.669 1.00 0.00 H new ATOM 0 HG SER A 110 -14.413 -20.442 4.054 1.00 0.00 H new ATOM 1676 N GLN A 111 -14.300 -19.406 7.710 1.00 0.00 N ATOM 1677 CA GLN A 111 -15.056 -20.251 8.627 1.00 0.00 C ATOM 1678 C GLN A 111 -16.537 -20.260 8.262 1.00 0.00 C ATOM 1679 O GLN A 111 -17.252 -19.288 8.505 1.00 0.00 O ATOM 1680 CB GLN A 111 -14.876 -19.767 10.067 1.00 0.00 C ATOM 1681 CG GLN A 111 -15.579 -20.639 11.094 1.00 0.00 C ATOM 1682 CD GLN A 111 -14.748 -21.837 11.509 1.00 0.00 C ATOM 1683 OE1 GLN A 111 -13.555 -21.913 11.211 1.00 0.00 O ATOM 1684 NE2 GLN A 111 -15.374 -22.782 12.201 1.00 0.00 N ATOM 0 H GLN A 111 -14.000 -18.516 8.107 1.00 0.00 H new ATOM 0 HA GLN A 111 -14.673 -21.268 8.543 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -13.812 -19.732 10.300 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -15.253 -18.748 10.149 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -15.812 -20.041 11.975 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -16.528 -20.984 10.683 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -16.363 -22.678 12.426 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -14.865 -23.611 12.507 1.00 0.00 H new ATOM 1693 N VAL A 112 -16.991 -21.364 7.678 1.00 0.00 N ATOM 1694 CA VAL A 112 -18.387 -21.500 7.281 1.00 0.00 C ATOM 1695 C VAL A 112 -19.193 -22.235 8.347 1.00 0.00 C ATOM 1696 O VAL A 112 -18.841 -23.342 8.752 1.00 0.00 O ATOM 1697 CB VAL A 112 -18.519 -22.253 5.944 1.00 0.00 C ATOM 1698 CG1 VAL A 112 -17.776 -21.515 4.840 1.00 0.00 C ATOM 1699 CG2 VAL A 112 -18.006 -23.678 6.082 1.00 0.00 C ATOM 0 H VAL A 112 -16.412 -22.177 7.469 1.00 0.00 H new ATOM 0 HA VAL A 112 -18.782 -20.491 7.162 1.00 0.00 H new ATOM 0 HB VAL A 112 -19.574 -22.296 5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -17.880 -22.062 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -18.194 -20.515 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -16.720 -21.439 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -18.107 -24.195 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -16.956 -23.660 6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -18.586 -24.202 6.842 1.00 0.00 H new ATOM 1709 N SER A 113 -20.276 -21.610 8.797 1.00 0.00 N ATOM 1710 CA SER A 113 -21.131 -22.203 9.818 1.00 0.00 C ATOM 1711 C SER A 113 -22.598 -21.878 9.554 1.00 0.00 C ATOM 1712 O SER A 113 -23.015 -20.723 9.633 1.00 0.00 O ATOM 1713 CB SER A 113 -20.728 -21.700 11.206 1.00 0.00 C ATOM 1714 OG SER A 113 -21.103 -20.345 11.386 1.00 0.00 O ATOM 0 H SER A 113 -20.582 -20.693 8.471 1.00 0.00 H new ATOM 0 HA SER A 113 -21.004 -23.285 9.780 1.00 0.00 H new ATOM 0 HB2 SER A 113 -21.201 -22.316 11.971 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.651 -21.803 11.335 1.00 0.00 H new ATOM 0 HG SER A 113 -21.748 -20.089 10.694 1.00 0.00 H new ATOM 1720 N GLY A 114 -23.378 -22.908 9.239 1.00 0.00 N ATOM 1721 CA GLY A 114 -24.790 -22.714 8.968 1.00 0.00 C ATOM 1722 C GLY A 114 -25.099 -22.700 7.484 1.00 0.00 C ATOM 1723 O GLY A 114 -24.222 -22.481 6.647 1.00 0.00 O ATOM 0 H GLY A 114 -23.057 -23.873 9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -25.361 -23.509 9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -25.116 -21.774 9.413 1.00 0.00 H new ATOM 1727 N PRO A 115 -26.373 -22.941 7.138 1.00 0.00 N ATOM 1728 CA PRO A 115 -26.824 -22.962 5.743 1.00 0.00 C ATOM 1729 C PRO A 115 -26.810 -21.576 5.108 1.00 0.00 C ATOM 1730 O PRO A 115 -27.204 -21.408 3.954 1.00 0.00 O ATOM 1731 CB PRO A 115 -28.257 -23.491 5.842 1.00 0.00 C ATOM 1732 CG PRO A 115 -28.699 -23.132 7.218 1.00 0.00 C ATOM 1733 CD PRO A 115 -27.470 -23.210 8.082 1.00 0.00 C ATOM 0 HA PRO A 115 -26.173 -23.569 5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -28.900 -23.036 5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -28.293 -24.569 5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -29.129 -22.131 7.241 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -29.469 -23.818 7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -27.497 -22.475 8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -27.368 -24.190 8.548 1.00 0.00 H new ATOM 1741 N SER A 116 -26.355 -20.586 5.869 1.00 0.00 N ATOM 1742 CA SER A 116 -26.293 -19.213 5.381 1.00 0.00 C ATOM 1743 C SER A 116 -25.964 -19.180 3.892 1.00 0.00 C ATOM 1744 O SER A 116 -25.048 -19.861 3.432 1.00 0.00 O ATOM 1745 CB SER A 116 -25.246 -18.418 6.164 1.00 0.00 C ATOM 1746 OG SER A 116 -25.328 -17.035 5.865 1.00 0.00 O ATOM 0 H SER A 116 -26.024 -20.709 6.826 1.00 0.00 H new ATOM 0 HA SER A 116 -27.272 -18.756 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 116 -25.393 -18.572 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 116 -24.249 -18.787 5.923 1.00 0.00 H new ATOM 0 HG SER A 116 -24.650 -16.548 6.379 1.00 0.00 H new ATOM 1752 N SER A 117 -26.720 -18.383 3.143 1.00 0.00 N ATOM 1753 CA SER A 117 -26.512 -18.263 1.705 1.00 0.00 C ATOM 1754 C SER A 117 -25.024 -18.244 1.370 1.00 0.00 C ATOM 1755 O SER A 117 -24.228 -17.613 2.064 1.00 0.00 O ATOM 1756 CB SER A 117 -27.182 -16.993 1.176 1.00 0.00 C ATOM 1757 OG SER A 117 -26.364 -15.857 1.394 1.00 0.00 O ATOM 0 H SER A 117 -27.482 -17.811 3.508 1.00 0.00 H new ATOM 0 HA SER A 117 -26.963 -19.131 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 117 -27.383 -17.101 0.110 1.00 0.00 H new ATOM 0 HB3 SER A 117 -28.144 -16.853 1.669 1.00 0.00 H new ATOM 0 HG SER A 117 -26.813 -15.059 1.046 1.00 0.00 H new ATOM 1763 N GLY A 118 -24.655 -18.942 0.300 1.00 0.00 N ATOM 1764 CA GLY A 118 -23.263 -18.993 -0.109 1.00 0.00 C ATOM 1765 C GLY A 118 -22.915 -17.913 -1.114 1.00 0.00 C ATOM 1766 O GLY A 118 -22.665 -16.767 -0.743 1.00 0.00 O ATOM 0 H GLY A 118 -25.295 -19.473 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -22.625 -18.888 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -23.050 -19.970 -0.542 1.00 0.00 H new TER 1770 GLY A 118