USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 840 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 122 GLN : amide:sc= 1.79 K(o=3,f=-2.8) USER MOD Set 1.2: A 123 TYR OH : rot 84:sc= 1.21 USER MOD Set 2.1: A 112 SER OG : rot 180:sc= 0.647 USER MOD Set 2.2: A 115 GLN :FLIP amide:sc= 0.433 F(o=-2.1!,f=1.1) USER MOD Set 3.1: A 84 HIS : no HE2:sc= -4.56! K(o=-4!,f=-6.5) USER MOD Set 3.2: A 93 TYR OH : rot -112:sc= 0.595 USER MOD Set 4.1: A 19 SER OG : rot 117:sc= 1.26 USER MOD Set 4.2: A 21 ASN : amide:sc= 1.03 K(o=2.3,f=0.18) USER MOD Single : A 17 LYS NZ :NH3+ -134:sc= -0.379 (180deg=-1.99!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -110:sc= -0.271 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 156:sc= 0.131 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 120:sc= -0.178 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.043) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -169:sc= -1.36 USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= -1.03 (180deg=-1.35!) USER MOD Single : A 58 CYS SG : rot -61:sc= -0.126 USER MOD Single : A 65 THR OG1 : rot 97:sc= 0.955 USER MOD Single : A 68 THR OG1 : rot -175:sc= 0.0896 USER MOD Single : A 71 SER OG : rot -40:sc= 1.63 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -120:sc= 0.021 (180deg=-0.0556) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -42:sc= 1.26 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0.841 K(o=0.84,f=-0.017) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -170:sc= 0 (180deg=-0.264) USER MOD Single : A 117 ASN : amide:sc= -0.988 K(o=-0.99,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 62 N GLY A 11 -12.159 7.480 -1.385 1.00 0.00 N ATOM 63 CA GLY A 11 -12.272 6.091 -1.833 1.00 0.00 C ATOM 64 C GLY A 11 -10.941 5.608 -2.370 1.00 0.00 C ATOM 65 O GLY A 11 -10.873 4.775 -3.267 1.00 0.00 O ATOM 0 HA2 GLY A 11 -12.590 5.458 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.036 6.011 -2.607 1.00 0.00 H new ATOM 69 N LEU A 12 -9.841 6.157 -1.796 1.00 0.00 N ATOM 70 CA LEU A 12 -8.405 5.973 -1.993 1.00 0.00 C ATOM 71 C LEU A 12 -7.855 4.538 -1.750 1.00 0.00 C ATOM 72 O LEU A 12 -8.547 3.657 -1.249 1.00 0.00 O ATOM 73 CB LEU A 12 -7.823 7.261 -1.290 1.00 0.00 C ATOM 74 CG LEU A 12 -6.417 7.512 -0.741 1.00 0.00 C ATOM 75 CD1 LEU A 12 -6.541 7.071 0.719 1.00 0.00 C ATOM 76 CD2 LEU A 12 -5.427 6.924 -1.681 1.00 0.00 C ATOM 0 H LEU A 12 -9.984 6.853 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.041 5.946 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.990 8.067 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.488 7.441 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.018 8.525 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.584 7.206 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.301 7.673 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.827 6.020 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.419 7.095 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.603 5.852 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.531 7.393 -2.660 1.00 0.00 H new ATOM 88 N ARG A 13 -6.591 4.274 -2.182 1.00 0.00 N ATOM 89 CA ARG A 13 -5.811 3.036 -2.217 1.00 0.00 C ATOM 90 C ARG A 13 -4.764 3.150 -1.113 1.00 0.00 C ATOM 91 O ARG A 13 -3.967 4.081 -1.151 1.00 0.00 O ATOM 92 CB ARG A 13 -5.110 2.911 -3.595 1.00 0.00 C ATOM 93 CG ARG A 13 -6.079 2.780 -4.789 1.00 0.00 C ATOM 94 CD ARG A 13 -5.319 2.585 -6.109 1.00 0.00 C ATOM 95 NE ARG A 13 -6.291 2.440 -7.245 1.00 0.00 N ATOM 96 CZ ARG A 13 -5.911 2.038 -8.498 1.00 0.00 C ATOM 97 NH1 ARG A 13 -4.624 1.664 -8.757 1.00 0.00 N ATOM 98 NH2 ARG A 13 -6.836 2.008 -9.502 1.00 0.00 N ATOM 0 H ARG A 13 -6.034 5.039 -2.562 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.442 2.160 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.478 3.786 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.453 2.042 -3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.749 1.936 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.701 3.673 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.661 3.436 -6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.686 1.700 -6.046 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.275 2.650 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.928 1.681 -8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.358 1.367 -9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.800 2.284 -9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.563 1.710 -10.438 1.00 0.00 H new ATOM 112 N VAL A 14 -4.712 2.304 -0.047 1.00 0.00 N ATOM 113 CA VAL A 14 -3.846 2.585 1.113 1.00 0.00 C ATOM 114 C VAL A 14 -2.832 1.530 1.487 1.00 0.00 C ATOM 115 O VAL A 14 -2.793 0.395 1.018 1.00 0.00 O ATOM 116 CB VAL A 14 -4.582 3.203 2.331 1.00 0.00 C ATOM 117 CG1 VAL A 14 -5.313 4.427 1.817 1.00 0.00 C ATOM 118 CG2 VAL A 14 -5.664 2.430 3.066 1.00 0.00 C ATOM 0 H VAL A 14 -5.251 1.441 0.025 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.214 3.379 0.715 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.772 3.315 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.850 4.902 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.594 5.131 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.022 4.130 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.052 3.036 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.473 2.191 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.244 1.507 3.466 1.00 0.00 H new ATOM 128 N VAL A 15 -1.897 1.915 2.376 1.00 0.00 N ATOM 129 CA VAL A 15 -0.804 1.127 2.934 1.00 0.00 C ATOM 130 C VAL A 15 -1.058 1.062 4.404 1.00 0.00 C ATOM 131 O VAL A 15 -1.626 2.007 4.937 1.00 0.00 O ATOM 132 CB VAL A 15 0.564 1.718 2.685 1.00 0.00 C ATOM 133 CG1 VAL A 15 0.994 1.243 1.281 1.00 0.00 C ATOM 134 CG2 VAL A 15 0.484 3.243 2.868 1.00 0.00 C ATOM 0 H VAL A 15 -1.895 2.865 2.747 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.788 0.149 2.453 1.00 0.00 H new ATOM 0 HB VAL A 15 1.328 1.389 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.981 1.643 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.030 0.154 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.276 1.596 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.466 3.683 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.232 3.657 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.162 3.471 3.884 1.00 0.00 H new ATOM 144 N ALA A 16 -0.653 -0.060 5.043 1.00 0.00 N ATOM 145 CA ALA A 16 -0.945 -0.417 6.403 1.00 0.00 C ATOM 146 C ALA A 16 0.291 -0.772 7.214 1.00 0.00 C ATOM 147 O ALA A 16 0.895 -1.833 7.085 1.00 0.00 O ATOM 148 CB ALA A 16 -1.939 -1.605 6.321 1.00 0.00 C ATOM 0 H ALA A 16 -0.083 -0.764 4.574 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.371 0.435 6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.204 -1.928 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.839 -1.291 5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.474 -2.432 5.785 1.00 0.00 H new ATOM 154 N LYS A 17 0.650 0.140 8.131 1.00 0.00 N ATOM 155 CA LYS A 17 1.740 0.072 9.069 1.00 0.00 C ATOM 156 C LYS A 17 1.100 0.446 10.396 1.00 0.00 C ATOM 157 O LYS A 17 0.506 1.502 10.477 1.00 0.00 O ATOM 158 CB LYS A 17 2.870 1.108 8.720 1.00 0.00 C ATOM 159 CG LYS A 17 2.744 1.941 7.416 1.00 0.00 C ATOM 160 CD LYS A 17 3.354 3.347 7.575 1.00 0.00 C ATOM 161 CE LYS A 17 4.745 3.474 6.961 1.00 0.00 C ATOM 162 NZ LYS A 17 5.296 4.838 7.107 1.00 0.00 N ATOM 0 H LYS A 17 0.129 1.012 8.229 1.00 0.00 H new ATOM 0 HA LYS A 17 2.214 -0.910 9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.945 1.808 9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.814 0.564 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.244 1.418 6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.693 2.030 7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.691 4.078 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.408 3.594 8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.417 2.759 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.699 3.214 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.703 5.147 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.536 5.491 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.037 4.837 7.837 1.00 0.00 H new ATOM 176 N TRP A 18 1.176 -0.338 11.494 1.00 0.00 N ATOM 177 CA TRP A 18 0.672 0.096 12.812 1.00 0.00 C ATOM 178 C TRP A 18 1.769 0.805 13.631 1.00 0.00 C ATOM 179 O TRP A 18 1.630 1.946 14.070 1.00 0.00 O ATOM 180 CB TRP A 18 -0.066 -1.038 13.568 1.00 0.00 C ATOM 181 CG TRP A 18 -1.293 -1.537 12.832 1.00 0.00 C ATOM 182 CD1 TRP A 18 -1.558 -2.680 12.122 1.00 0.00 C ATOM 183 CD2 TRP A 18 -2.502 -0.783 12.867 1.00 0.00 C ATOM 184 NE1 TRP A 18 -2.882 -2.681 11.713 1.00 0.00 N ATOM 185 CE2 TRP A 18 -3.469 -1.520 12.178 1.00 0.00 C ATOM 186 CE3 TRP A 18 -2.780 0.412 13.459 1.00 0.00 C ATOM 187 CZ2 TRP A 18 -4.747 -1.063 12.077 1.00 0.00 C ATOM 188 CZ3 TRP A 18 -4.086 0.807 13.447 1.00 0.00 C ATOM 189 CH2 TRP A 18 -5.049 0.100 12.757 1.00 0.00 C ATOM 0 H TRP A 18 1.582 -1.274 11.492 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.097 0.850 12.644 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.621 -1.870 13.725 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.361 -0.678 14.554 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.843 -3.462 11.913 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.341 -3.409 11.166 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.008 1.015 13.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.490 -1.585 11.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.373 1.695 13.991 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.065 0.466 12.749 1.00 0.00 H new ATOM 200 N SER A 19 2.938 0.150 13.807 1.00 0.00 N ATOM 201 CA SER A 19 4.145 0.713 14.392 1.00 0.00 C ATOM 202 C SER A 19 5.150 0.778 13.252 1.00 0.00 C ATOM 203 O SER A 19 5.149 -0.091 12.376 1.00 0.00 O ATOM 204 CB SER A 19 4.689 -0.138 15.595 1.00 0.00 C ATOM 205 OG SER A 19 4.858 -1.534 15.303 1.00 0.00 O ATOM 0 H SER A 19 3.057 -0.824 13.529 1.00 0.00 H new ATOM 0 HA SER A 19 3.948 1.696 14.820 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.647 0.273 15.912 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.004 -0.035 16.437 1.00 0.00 H new ATOM 0 HG SER A 19 5.806 -1.771 15.375 1.00 0.00 H new ATOM 211 N SER A 20 6.083 1.786 13.209 1.00 0.00 N ATOM 212 CA SER A 20 7.115 1.799 12.153 1.00 0.00 C ATOM 213 C SER A 20 8.245 0.872 12.584 1.00 0.00 C ATOM 214 O SER A 20 9.020 1.134 13.496 1.00 0.00 O ATOM 215 CB SER A 20 7.688 3.213 11.833 1.00 0.00 C ATOM 216 OG SER A 20 6.761 3.922 11.014 1.00 0.00 O ATOM 0 H SER A 20 6.130 2.562 13.870 1.00 0.00 H new ATOM 0 HA SER A 20 6.639 1.462 11.232 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.869 3.762 12.757 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.647 3.123 11.323 1.00 0.00 H new ATOM 0 HG SER A 20 7.117 4.812 10.812 1.00 0.00 H new ATOM 222 N ASN A 21 8.275 -0.270 11.870 1.00 0.00 N ATOM 223 CA ASN A 21 9.082 -1.451 12.117 1.00 0.00 C ATOM 224 C ASN A 21 9.836 -1.864 10.874 1.00 0.00 C ATOM 225 O ASN A 21 10.462 -2.918 10.792 1.00 0.00 O ATOM 226 CB ASN A 21 8.075 -2.555 12.542 1.00 0.00 C ATOM 227 CG ASN A 21 8.127 -2.788 14.053 1.00 0.00 C ATOM 228 OD1 ASN A 21 7.299 -2.306 14.830 1.00 0.00 O ATOM 229 ND2 ASN A 21 9.155 -3.557 14.497 1.00 0.00 N ATOM 0 H ASN A 21 7.686 -0.386 11.045 1.00 0.00 H new ATOM 0 HA ASN A 21 9.835 -1.269 12.884 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.066 -2.265 12.249 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.304 -3.483 12.019 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.256 -3.748 15.494 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.826 -3.944 13.833 1.00 0.00 H new ATOM 236 N GLY A 22 9.766 -0.970 9.885 1.00 0.00 N ATOM 237 CA GLY A 22 10.450 -1.002 8.617 1.00 0.00 C ATOM 238 C GLY A 22 9.686 -1.463 7.420 1.00 0.00 C ATOM 239 O GLY A 22 10.148 -1.112 6.352 1.00 0.00 O ATOM 0 H GLY A 22 9.177 -0.142 9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.819 0.003 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.323 -1.646 8.725 1.00 0.00 H new ATOM 243 N TYR A 23 8.536 -2.189 7.497 1.00 0.00 N ATOM 244 CA TYR A 23 7.669 -2.577 6.365 1.00 0.00 C ATOM 245 C TYR A 23 6.161 -2.427 6.560 1.00 0.00 C ATOM 246 O TYR A 23 5.662 -2.554 7.674 1.00 0.00 O ATOM 247 CB TYR A 23 8.054 -3.893 5.641 1.00 0.00 C ATOM 248 CG TYR A 23 8.672 -4.922 6.529 1.00 0.00 C ATOM 249 CD1 TYR A 23 7.918 -5.614 7.460 1.00 0.00 C ATOM 250 CD2 TYR A 23 9.996 -5.260 6.341 1.00 0.00 C ATOM 251 CE1 TYR A 23 8.481 -6.657 8.168 1.00 0.00 C ATOM 252 CE2 TYR A 23 10.550 -6.319 7.028 1.00 0.00 C ATOM 253 CZ TYR A 23 9.791 -7.022 7.941 1.00 0.00 C ATOM 254 OH TYR A 23 10.318 -8.156 8.584 1.00 0.00 O ATOM 0 H TYR A 23 8.180 -2.530 8.390 1.00 0.00 H new ATOM 0 HA TYR A 23 7.918 -1.778 5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.161 -4.316 5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.749 -3.661 4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.888 -5.338 7.633 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.602 -4.692 5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.893 -7.189 8.902 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.578 -6.598 6.852 1.00 0.00 H new ATOM 0 HH TYR A 23 11.253 -8.278 8.317 1.00 0.00 H new ATOM 264 N PHE A 24 5.393 -2.159 5.451 1.00 0.00 N ATOM 265 CA PHE A 24 3.934 -1.948 5.375 1.00 0.00 C ATOM 266 C PHE A 24 3.272 -3.002 4.505 1.00 0.00 C ATOM 267 O PHE A 24 3.792 -3.460 3.485 1.00 0.00 O ATOM 268 CB PHE A 24 3.361 -0.537 4.891 1.00 0.00 C ATOM 269 CG PHE A 24 4.354 0.588 4.682 1.00 0.00 C ATOM 270 CD1 PHE A 24 5.421 0.715 5.545 1.00 0.00 C ATOM 271 CD2 PHE A 24 4.237 1.519 3.640 1.00 0.00 C ATOM 272 CE1 PHE A 24 6.510 1.467 5.225 1.00 0.00 C ATOM 273 CE2 PHE A 24 5.330 2.291 3.319 1.00 0.00 C ATOM 274 CZ PHE A 24 6.458 2.234 4.093 1.00 0.00 C ATOM 0 H PHE A 24 5.825 -2.083 4.530 1.00 0.00 H new ATOM 0 HA PHE A 24 3.685 -2.007 6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.829 -0.694 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.625 -0.204 5.623 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.393 0.206 6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.308 1.628 3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.392 1.458 5.848 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.298 2.941 2.457 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.326 2.807 3.804 1.00 0.00 H new ATOM 284 N TYR A 25 2.021 -3.287 4.909 1.00 0.00 N ATOM 285 CA TYR A 25 0.980 -4.122 4.358 1.00 0.00 C ATOM 286 C TYR A 25 0.044 -3.229 3.550 1.00 0.00 C ATOM 287 O TYR A 25 0.307 -2.058 3.307 1.00 0.00 O ATOM 288 CB TYR A 25 0.282 -4.907 5.508 1.00 0.00 C ATOM 289 CG TYR A 25 1.315 -5.875 6.020 1.00 0.00 C ATOM 290 CD1 TYR A 25 1.548 -7.030 5.299 1.00 0.00 C ATOM 291 CD2 TYR A 25 2.154 -5.561 7.079 1.00 0.00 C ATOM 292 CE1 TYR A 25 2.647 -7.817 5.564 1.00 0.00 C ATOM 293 CE2 TYR A 25 3.261 -6.347 7.345 1.00 0.00 C ATOM 294 CZ TYR A 25 3.519 -7.456 6.567 1.00 0.00 C ATOM 295 OH TYR A 25 4.679 -8.223 6.780 1.00 0.00 O ATOM 0 H TYR A 25 1.683 -2.857 5.770 1.00 0.00 H new ATOM 0 HA TYR A 25 1.372 -4.880 3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.050 -4.233 6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.602 -5.432 5.145 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.860 -7.319 4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.943 -4.701 7.697 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.824 -8.713 4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.922 -6.093 8.160 1.00 0.00 H new ATOM 0 HH TYR A 25 5.193 -7.840 7.522 1.00 0.00 H new ATOM 305 N SER A 26 -1.068 -3.764 3.022 1.00 0.00 N ATOM 306 CA SER A 26 -2.063 -3.039 2.240 1.00 0.00 C ATOM 307 C SER A 26 -3.421 -2.820 2.936 1.00 0.00 C ATOM 308 O SER A 26 -3.880 -3.619 3.752 1.00 0.00 O ATOM 309 CB SER A 26 -2.286 -3.825 0.951 1.00 0.00 C ATOM 310 OG SER A 26 -3.049 -3.100 -0.015 1.00 0.00 O ATOM 0 H SER A 26 -1.301 -4.750 3.136 1.00 0.00 H new ATOM 0 HA SER A 26 -1.666 -2.037 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.320 -4.089 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.797 -4.759 1.184 1.00 0.00 H new ATOM 0 HG SER A 26 -3.934 -3.511 -0.108 1.00 0.00 H new ATOM 316 N GLY A 27 -4.074 -1.687 2.570 1.00 0.00 N ATOM 317 CA GLY A 27 -5.364 -1.150 2.980 1.00 0.00 C ATOM 318 C GLY A 27 -6.149 -0.534 1.825 1.00 0.00 C ATOM 319 O GLY A 27 -5.599 -0.280 0.760 1.00 0.00 O ATOM 0 H GLY A 27 -3.637 -1.061 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.956 -1.947 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.208 -0.394 3.750 1.00 0.00 H new ATOM 323 N LYS A 28 -7.468 -0.238 1.991 1.00 0.00 N ATOM 324 CA LYS A 28 -8.255 0.593 1.051 1.00 0.00 C ATOM 325 C LYS A 28 -9.139 1.629 1.784 1.00 0.00 C ATOM 326 O LYS A 28 -9.778 1.241 2.761 1.00 0.00 O ATOM 327 CB LYS A 28 -9.093 -0.280 0.085 1.00 0.00 C ATOM 328 CG LYS A 28 -10.049 -1.286 0.753 1.00 0.00 C ATOM 329 CD LYS A 28 -10.733 -2.208 -0.267 1.00 0.00 C ATOM 330 CE LYS A 28 -11.616 -3.278 0.387 1.00 0.00 C ATOM 331 NZ LYS A 28 -12.214 -4.170 -0.634 1.00 0.00 N ATOM 0 H LYS A 28 -8.013 -0.573 2.786 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.537 1.155 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.679 0.379 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.411 -0.830 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.493 -1.890 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.809 -0.743 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.342 -1.606 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.971 -2.696 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.022 -3.867 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.407 -2.799 0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.807 -4.885 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.798 -3.609 -1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.457 -4.643 -1.168 1.00 0.00 H new ATOM 345 N ILE A 29 -9.252 2.976 1.424 1.00 0.00 N ATOM 346 CA ILE A 29 -10.206 3.823 2.221 1.00 0.00 C ATOM 347 C ILE A 29 -11.696 3.792 1.818 1.00 0.00 C ATOM 348 O ILE A 29 -12.059 3.474 0.690 1.00 0.00 O ATOM 349 CB ILE A 29 -9.765 5.213 2.679 1.00 0.00 C ATOM 350 CG1 ILE A 29 -10.066 6.365 1.710 1.00 0.00 C ATOM 351 CG2 ILE A 29 -8.284 5.127 3.068 1.00 0.00 C ATOM 352 CD1 ILE A 29 -9.738 7.713 2.349 1.00 0.00 C ATOM 0 H ILE A 29 -8.748 3.443 0.670 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.128 3.222 3.127 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.376 5.486 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.484 6.239 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.117 6.340 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.938 6.106 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.161 4.405 3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.699 4.809 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.960 8.514 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.339 7.845 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.681 7.743 2.612 1.00 0.00 H new ATOM 364 N THR A 30 -12.570 4.119 2.813 1.00 0.00 N ATOM 365 CA THR A 30 -14.032 4.210 2.735 1.00 0.00 C ATOM 366 C THR A 30 -14.505 5.661 2.861 1.00 0.00 C ATOM 367 O THR A 30 -15.504 6.047 2.248 1.00 0.00 O ATOM 368 CB THR A 30 -14.724 3.348 3.799 1.00 0.00 C ATOM 369 OG1 THR A 30 -14.248 2.014 3.708 1.00 0.00 O ATOM 370 CG2 THR A 30 -16.253 3.273 3.615 1.00 0.00 C ATOM 0 H THR A 30 -12.233 4.339 3.750 1.00 0.00 H new ATOM 0 HA THR A 30 -14.312 3.827 1.754 1.00 0.00 H new ATOM 0 HB THR A 30 -14.500 3.815 4.758 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.362 1.566 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.684 2.649 4.398 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.676 4.276 3.676 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.481 2.841 2.641 1.00 0.00 H new ATOM 378 N ARG A 31 -13.820 6.508 3.699 1.00 0.00 N ATOM 379 CA ARG A 31 -14.202 7.904 3.873 1.00 0.00 C ATOM 380 C ARG A 31 -12.933 8.564 4.370 1.00 0.00 C ATOM 381 O ARG A 31 -12.022 7.878 4.836 1.00 0.00 O ATOM 382 CB ARG A 31 -15.319 8.162 4.948 1.00 0.00 C ATOM 383 CG ARG A 31 -16.719 7.588 4.648 1.00 0.00 C ATOM 384 CD ARG A 31 -17.732 7.918 5.752 1.00 0.00 C ATOM 385 NE ARG A 31 -19.043 7.276 5.391 1.00 0.00 N ATOM 386 CZ ARG A 31 -20.163 7.365 6.175 1.00 0.00 C ATOM 387 NH1 ARG A 31 -20.143 8.057 7.350 1.00 0.00 N ATOM 388 NH2 ARG A 31 -21.315 6.753 5.769 1.00 0.00 N ATOM 0 H ARG A 31 -13.009 6.225 4.250 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.611 8.280 2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.979 7.749 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.416 9.239 5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -17.077 7.986 3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.649 6.506 4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -17.380 7.548 6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.851 8.997 5.849 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.101 6.749 4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -19.286 8.517 7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.985 8.114 7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -21.335 6.236 4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.155 6.813 6.345 1.00 0.00 H new ATOM 402 N ASP A 32 -12.835 9.919 4.365 1.00 0.00 N ATOM 403 CA ASP A 32 -11.710 10.638 4.990 1.00 0.00 C ATOM 404 C ASP A 32 -12.103 11.094 6.410 1.00 0.00 C ATOM 405 O ASP A 32 -13.176 11.661 6.602 1.00 0.00 O ATOM 406 CB ASP A 32 -11.283 11.859 4.114 1.00 0.00 C ATOM 407 CG ASP A 32 -9.957 12.501 4.550 1.00 0.00 C ATOM 408 OD1 ASP A 32 -8.911 11.805 4.464 1.00 0.00 O ATOM 409 OD2 ASP A 32 -9.979 13.687 4.971 1.00 0.00 O ATOM 0 H ASP A 32 -13.527 10.531 3.932 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.857 9.963 5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.196 11.537 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.070 12.613 4.149 1.00 0.00 H new ATOM 414 N VAL A 33 -11.236 10.865 7.440 1.00 0.00 N ATOM 415 CA VAL A 33 -11.456 11.320 8.820 1.00 0.00 C ATOM 416 C VAL A 33 -10.476 12.464 9.020 1.00 0.00 C ATOM 417 O VAL A 33 -9.299 12.289 8.767 1.00 0.00 O ATOM 418 CB VAL A 33 -11.379 10.243 9.954 1.00 0.00 C ATOM 419 CG1 VAL A 33 -12.824 9.764 10.198 1.00 0.00 C ATOM 420 CG2 VAL A 33 -10.435 9.032 9.711 1.00 0.00 C ATOM 0 H VAL A 33 -10.362 10.354 7.320 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.498 11.622 8.923 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.924 10.725 10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.829 9.008 10.983 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.441 10.609 10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.225 9.336 9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.474 8.362 10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.754 8.495 8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.414 9.388 9.575 1.00 0.00 H new ATOM 430 N GLY A 34 -10.930 13.672 9.457 1.00 0.00 N ATOM 431 CA GLY A 34 -10.173 14.913 9.750 1.00 0.00 C ATOM 432 C GLY A 34 -8.958 15.335 8.922 1.00 0.00 C ATOM 433 O GLY A 34 -8.873 15.115 7.720 1.00 0.00 O ATOM 0 H GLY A 34 -11.926 13.809 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.887 15.735 9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.839 14.840 10.785 1.00 0.00 H new ATOM 437 N ALA A 35 -7.956 15.961 9.583 1.00 0.00 N ATOM 438 CA ALA A 35 -6.667 16.333 9.014 1.00 0.00 C ATOM 439 C ALA A 35 -5.621 15.371 9.529 1.00 0.00 C ATOM 440 O ALA A 35 -5.313 15.323 10.718 1.00 0.00 O ATOM 441 CB ALA A 35 -6.326 17.800 9.352 1.00 0.00 C ATOM 0 H ALA A 35 -8.040 16.225 10.565 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.700 16.266 7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.360 18.058 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.094 18.456 8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.282 17.923 10.434 1.00 0.00 H new ATOM 447 N GLY A 36 -5.084 14.554 8.592 1.00 0.00 N ATOM 448 CA GLY A 36 -4.086 13.536 8.825 1.00 0.00 C ATOM 449 C GLY A 36 -4.653 12.156 8.879 1.00 0.00 C ATOM 450 O GLY A 36 -3.889 11.202 8.843 1.00 0.00 O ATOM 0 H GLY A 36 -5.363 14.606 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.337 13.583 8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.573 13.748 9.763 1.00 0.00 H new ATOM 454 N LYS A 37 -5.989 11.974 9.012 1.00 0.00 N ATOM 455 CA LYS A 37 -6.587 10.659 9.195 1.00 0.00 C ATOM 456 C LYS A 37 -7.297 10.131 7.947 1.00 0.00 C ATOM 457 O LYS A 37 -7.578 10.836 6.978 1.00 0.00 O ATOM 458 CB LYS A 37 -7.341 10.544 10.571 1.00 0.00 C ATOM 459 CG LYS A 37 -7.601 11.848 11.349 1.00 0.00 C ATOM 460 CD LYS A 37 -8.456 11.604 12.599 1.00 0.00 C ATOM 461 CE LYS A 37 -8.773 12.900 13.354 1.00 0.00 C ATOM 462 NZ LYS A 37 -9.646 12.636 14.521 1.00 0.00 N ATOM 0 H LYS A 37 -6.665 12.738 8.994 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.784 9.928 9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.302 10.063 10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.768 9.877 11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.650 12.293 11.640 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.103 12.565 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.388 11.119 12.309 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.933 10.918 13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.846 13.367 13.687 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.262 13.606 12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.845 13.529 15.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.539 12.212 14.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.167 11.981 15.171 1.00 0.00 H new ATOM 476 N TYR A 38 -7.581 8.799 7.956 1.00 0.00 N ATOM 477 CA TYR A 38 -8.217 8.001 6.911 1.00 0.00 C ATOM 478 C TYR A 38 -9.167 6.984 7.595 1.00 0.00 C ATOM 479 O TYR A 38 -8.799 6.434 8.638 1.00 0.00 O ATOM 480 CB TYR A 38 -7.112 7.291 6.081 1.00 0.00 C ATOM 481 CG TYR A 38 -6.274 8.335 5.358 1.00 0.00 C ATOM 482 CD1 TYR A 38 -6.820 9.136 4.375 1.00 0.00 C ATOM 483 CD2 TYR A 38 -4.984 8.615 5.772 1.00 0.00 C ATOM 484 CE1 TYR A 38 -6.110 10.209 3.869 1.00 0.00 C ATOM 485 CE2 TYR A 38 -4.218 9.614 5.186 1.00 0.00 C ATOM 486 CZ TYR A 38 -4.809 10.456 4.259 1.00 0.00 C ATOM 487 OH TYR A 38 -4.124 11.582 3.722 1.00 0.00 O ATOM 0 H TYR A 38 -7.346 8.226 8.766 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.801 8.620 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -6.480 6.690 6.735 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.564 6.609 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.809 8.923 3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.558 8.037 6.579 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.582 10.867 3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.177 9.732 5.449 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.860 12.182 4.450 1.00 0.00 H new ATOM 497 N LYS A 39 -10.431 6.733 7.072 1.00 0.00 N ATOM 498 CA LYS A 39 -11.463 5.793 7.585 1.00 0.00 C ATOM 499 C LYS A 39 -11.448 4.743 6.534 1.00 0.00 C ATOM 500 O LYS A 39 -11.757 4.921 5.351 1.00 0.00 O ATOM 501 CB LYS A 39 -12.864 6.451 7.768 1.00 0.00 C ATOM 502 CG LYS A 39 -14.111 5.554 7.589 1.00 0.00 C ATOM 503 CD LYS A 39 -14.261 4.381 8.567 1.00 0.00 C ATOM 504 CE LYS A 39 -15.438 3.482 8.177 1.00 0.00 C ATOM 505 NZ LYS A 39 -16.735 4.184 8.296 1.00 0.00 N ATOM 0 H LYS A 39 -10.754 7.219 6.235 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.254 5.420 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.903 6.883 8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.941 7.277 7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.997 6.183 7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.099 5.153 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.342 3.796 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.411 4.763 9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.306 3.136 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.445 2.597 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.510 3.513 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.829 4.580 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.779 4.953 7.597 1.00 0.00 H new ATOM 519 N LEU A 40 -10.885 3.622 6.991 1.00 0.00 N ATOM 520 CA LEU A 40 -10.388 2.618 6.103 1.00 0.00 C ATOM 521 C LEU A 40 -10.715 1.219 6.404 1.00 0.00 C ATOM 522 O LEU A 40 -11.002 0.820 7.525 1.00 0.00 O ATOM 523 CB LEU A 40 -8.868 2.822 6.007 1.00 0.00 C ATOM 524 CG LEU A 40 -8.038 2.422 7.252 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.667 2.590 8.631 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.477 1.000 7.081 1.00 0.00 C ATOM 0 H LEU A 40 -10.771 3.404 7.981 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.907 2.764 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.500 2.252 5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.678 3.874 5.793 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.249 3.174 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.960 2.267 9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.919 3.638 8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.572 1.985 8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.895 0.730 7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.300 0.296 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.837 0.965 6.199 1.00 0.00 H new ATOM 538 N LEU A 41 -10.634 0.363 5.390 1.00 0.00 N ATOM 539 CA LEU A 41 -10.798 -1.041 5.625 1.00 0.00 C ATOM 540 C LEU A 41 -9.656 -1.726 4.985 1.00 0.00 C ATOM 541 O LEU A 41 -9.258 -1.296 3.920 1.00 0.00 O ATOM 542 CB LEU A 41 -12.225 -1.231 5.119 1.00 0.00 C ATOM 543 CG LEU A 41 -12.923 -2.594 5.272 1.00 0.00 C ATOM 544 CD1 LEU A 41 -14.456 -2.460 5.321 1.00 0.00 C ATOM 545 CD2 LEU A 41 -12.640 -3.468 4.059 1.00 0.00 C ATOM 0 H LEU A 41 -10.459 0.624 4.420 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.746 -1.464 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.848 -0.490 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.228 -0.983 4.058 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.541 -3.021 6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.904 -3.448 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.740 -1.837 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.811 -2.000 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.139 -4.430 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.012 -2.975 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.565 -3.626 3.967 1.00 0.00 H new ATOM 557 N PHE A 42 -9.045 -2.818 5.522 1.00 0.00 N ATOM 558 CA PHE A 42 -7.949 -3.525 4.809 1.00 0.00 C ATOM 559 C PHE A 42 -8.453 -4.213 3.520 1.00 0.00 C ATOM 560 O PHE A 42 -9.611 -4.600 3.449 1.00 0.00 O ATOM 561 CB PHE A 42 -7.185 -4.605 5.661 1.00 0.00 C ATOM 562 CG PHE A 42 -6.193 -4.030 6.657 1.00 0.00 C ATOM 563 CD1 PHE A 42 -6.426 -2.905 7.443 1.00 0.00 C ATOM 564 CD2 PHE A 42 -4.981 -4.685 6.819 1.00 0.00 C ATOM 565 CE1 PHE A 42 -5.467 -2.437 8.320 1.00 0.00 C ATOM 566 CE2 PHE A 42 -4.025 -4.225 7.700 1.00 0.00 C ATOM 567 CZ PHE A 42 -4.261 -3.089 8.444 1.00 0.00 C ATOM 0 H PHE A 42 -9.288 -3.220 6.428 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.244 -2.725 4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.915 -5.208 6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.655 -5.276 4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.372 -2.390 7.366 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.781 -5.576 6.242 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.664 -1.555 8.911 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.090 -4.755 7.807 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.506 -2.713 9.119 1.00 0.00 H new ATOM 577 N ASP A 43 -7.617 -4.443 2.466 1.00 0.00 N ATOM 578 CA ASP A 43 -7.965 -5.090 1.171 1.00 0.00 C ATOM 579 C ASP A 43 -8.550 -6.516 1.246 1.00 0.00 C ATOM 580 O ASP A 43 -9.077 -7.099 0.301 1.00 0.00 O ATOM 581 CB ASP A 43 -6.761 -5.043 0.171 1.00 0.00 C ATOM 582 CG ASP A 43 -5.550 -5.916 0.552 1.00 0.00 C ATOM 583 OD1 ASP A 43 -5.049 -5.788 1.699 1.00 0.00 O ATOM 584 OD2 ASP A 43 -5.121 -6.727 -0.312 1.00 0.00 O ATOM 0 H ASP A 43 -6.635 -4.168 2.501 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.790 -4.482 0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.115 -5.352 -0.812 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.427 -4.009 0.079 1.00 0.00 H new ATOM 589 N ASP A 44 -8.439 -7.044 2.475 1.00 0.00 N ATOM 590 CA ASP A 44 -8.836 -8.300 3.023 1.00 0.00 C ATOM 591 C ASP A 44 -9.931 -8.171 4.122 1.00 0.00 C ATOM 592 O ASP A 44 -10.363 -9.190 4.651 1.00 0.00 O ATOM 593 CB ASP A 44 -7.503 -9.018 3.418 1.00 0.00 C ATOM 594 CG ASP A 44 -6.729 -8.353 4.572 1.00 0.00 C ATOM 595 OD1 ASP A 44 -7.171 -8.476 5.745 1.00 0.00 O ATOM 596 OD2 ASP A 44 -5.673 -7.725 4.286 1.00 0.00 O ATOM 0 H ASP A 44 -7.992 -6.486 3.203 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.367 -8.928 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.730 -10.047 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.856 -9.060 2.542 1.00 0.00 H new ATOM 601 N GLY A 45 -10.470 -6.947 4.466 1.00 0.00 N ATOM 602 CA GLY A 45 -11.667 -6.774 5.304 1.00 0.00 C ATOM 603 C GLY A 45 -11.520 -6.475 6.774 1.00 0.00 C ATOM 604 O GLY A 45 -12.305 -6.976 7.571 1.00 0.00 O ATOM 0 H GLY A 45 -10.067 -6.063 4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.256 -5.968 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.259 -7.685 5.216 1.00 0.00 H new ATOM 608 N TYR A 46 -10.550 -5.632 7.203 1.00 0.00 N ATOM 609 CA TYR A 46 -10.372 -5.280 8.619 1.00 0.00 C ATOM 610 C TYR A 46 -10.487 -3.766 8.723 1.00 0.00 C ATOM 611 O TYR A 46 -9.554 -3.053 8.362 1.00 0.00 O ATOM 612 CB TYR A 46 -9.007 -5.827 9.160 1.00 0.00 C ATOM 613 CG TYR A 46 -8.866 -5.757 10.669 1.00 0.00 C ATOM 614 CD1 TYR A 46 -9.466 -6.712 11.472 1.00 0.00 C ATOM 615 CD2 TYR A 46 -8.116 -4.760 11.275 1.00 0.00 C ATOM 616 CE1 TYR A 46 -9.329 -6.666 12.846 1.00 0.00 C ATOM 617 CE2 TYR A 46 -7.970 -4.715 12.653 1.00 0.00 C ATOM 618 CZ TYR A 46 -8.586 -5.670 13.440 1.00 0.00 C ATOM 619 OH TYR A 46 -8.463 -5.660 14.848 1.00 0.00 O ATOM 0 H TYR A 46 -9.879 -5.185 6.579 1.00 0.00 H new ATOM 0 HA TYR A 46 -11.138 -5.741 9.243 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.892 -6.863 8.843 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.195 -5.262 8.703 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.047 -7.502 11.019 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.639 -4.008 10.665 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.808 -7.416 13.458 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.377 -3.937 13.110 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.909 -4.900 15.123 1.00 0.00 H new ATOM 629 N GLU A 47 -11.647 -3.218 9.187 1.00 0.00 N ATOM 630 CA GLU A 47 -11.921 -1.775 9.257 1.00 0.00 C ATOM 631 C GLU A 47 -11.729 -1.083 10.572 1.00 0.00 C ATOM 632 O GLU A 47 -11.828 -1.657 11.657 1.00 0.00 O ATOM 633 CB GLU A 47 -13.268 -1.397 8.586 1.00 0.00 C ATOM 634 CG GLU A 47 -13.789 0.062 8.678 1.00 0.00 C ATOM 635 CD GLU A 47 -14.950 0.225 7.703 1.00 0.00 C ATOM 636 OE1 GLU A 47 -16.077 -0.225 8.046 1.00 0.00 O ATOM 637 OE2 GLU A 47 -14.727 0.788 6.600 1.00 0.00 O ATOM 0 H GLU A 47 -12.423 -3.787 9.526 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.100 -1.366 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.187 -1.648 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.036 -2.045 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.114 0.284 9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.991 0.765 8.438 1.00 0.00 H new ATOM 644 N CYS A 48 -11.394 0.234 10.439 1.00 0.00 N ATOM 645 CA CYS A 48 -11.035 1.061 11.553 1.00 0.00 C ATOM 646 C CYS A 48 -11.093 2.488 11.072 1.00 0.00 C ATOM 647 O CYS A 48 -11.295 2.741 9.885 1.00 0.00 O ATOM 648 CB CYS A 48 -9.590 0.692 12.049 1.00 0.00 C ATOM 649 SG CYS A 48 -8.354 0.114 10.824 1.00 0.00 S ATOM 0 H CYS A 48 -11.376 0.720 9.542 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.714 0.916 12.394 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.177 1.571 12.544 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.690 -0.084 12.808 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.313 -0.355 11.446 1.00 0.00 H new ATOM 655 N ASP A 49 -10.829 3.464 11.975 1.00 0.00 N ATOM 656 CA ASP A 49 -10.529 4.836 11.590 1.00 0.00 C ATOM 657 C ASP A 49 -9.206 5.022 12.305 1.00 0.00 C ATOM 658 O ASP A 49 -9.061 4.578 13.451 1.00 0.00 O ATOM 659 CB ASP A 49 -11.425 5.998 12.127 1.00 0.00 C ATOM 660 CG ASP A 49 -12.925 5.706 12.036 1.00 0.00 C ATOM 661 OD1 ASP A 49 -13.403 4.773 12.733 1.00 0.00 O ATOM 662 OD2 ASP A 49 -13.620 6.443 11.286 1.00 0.00 O ATOM 0 H ASP A 49 -10.822 3.308 12.983 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.623 4.912 10.507 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.164 6.196 13.167 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.205 6.905 11.564 1.00 0.00 H new ATOM 667 N VAL A 50 -8.208 5.640 11.647 1.00 0.00 N ATOM 668 CA VAL A 50 -6.879 5.801 12.199 1.00 0.00 C ATOM 669 C VAL A 50 -6.273 7.066 11.712 1.00 0.00 C ATOM 670 O VAL A 50 -6.725 7.621 10.711 1.00 0.00 O ATOM 671 CB VAL A 50 -5.907 4.719 11.724 1.00 0.00 C ATOM 672 CG1 VAL A 50 -6.262 3.422 12.434 1.00 0.00 C ATOM 673 CG2 VAL A 50 -5.950 4.577 10.182 1.00 0.00 C ATOM 0 H VAL A 50 -8.316 6.038 10.714 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.012 5.765 13.280 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.881 4.991 11.973 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.582 2.633 12.112 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.173 3.561 13.511 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.286 3.141 12.188 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.251 3.802 9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.958 4.304 9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.672 5.525 9.721 1.00 0.00 H new ATOM 683 N LEU A 51 -5.143 7.494 12.352 1.00 0.00 N ATOM 684 CA LEU A 51 -4.294 8.577 11.888 1.00 0.00 C ATOM 685 C LEU A 51 -3.318 8.011 10.879 1.00 0.00 C ATOM 686 O LEU A 51 -2.957 6.837 10.897 1.00 0.00 O ATOM 687 CB LEU A 51 -3.661 9.289 13.114 1.00 0.00 C ATOM 688 CG LEU A 51 -3.230 10.769 12.984 1.00 0.00 C ATOM 689 CD1 LEU A 51 -2.042 11.054 12.051 1.00 0.00 C ATOM 690 CD2 LEU A 51 -4.414 11.659 12.617 1.00 0.00 C ATOM 0 H LEU A 51 -4.812 7.071 13.219 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.847 9.358 11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.375 9.225 13.936 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.782 8.716 13.410 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.862 11.014 13.980 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.835 12.124 12.043 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.163 10.517 12.407 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.285 10.724 11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.080 12.693 12.533 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.832 11.334 11.664 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.178 11.587 13.392 1.00 0.00 H new ATOM 702 N GLY A 52 -3.080 8.813 9.817 1.00 0.00 N ATOM 703 CA GLY A 52 -2.743 8.339 8.491 1.00 0.00 C ATOM 704 C GLY A 52 -1.367 7.821 8.305 1.00 0.00 C ATOM 705 O GLY A 52 -1.161 6.921 7.520 1.00 0.00 O ATOM 0 H GLY A 52 -3.123 9.830 9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.444 7.549 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.898 9.156 7.787 1.00 0.00 H new ATOM 709 N LYS A 53 -0.344 8.307 9.062 1.00 0.00 N ATOM 710 CA LYS A 53 1.090 7.925 9.006 1.00 0.00 C ATOM 711 C LYS A 53 1.392 6.424 9.318 1.00 0.00 C ATOM 712 O LYS A 53 2.530 5.966 9.309 1.00 0.00 O ATOM 713 CB LYS A 53 1.901 8.839 9.994 1.00 0.00 C ATOM 714 CG LYS A 53 1.378 9.043 11.452 1.00 0.00 C ATOM 715 CD LYS A 53 0.977 7.767 12.229 1.00 0.00 C ATOM 716 CE LYS A 53 0.825 7.831 13.758 1.00 0.00 C ATOM 717 NZ LYS A 53 -0.124 8.879 14.183 1.00 0.00 N ATOM 0 H LYS A 53 -0.513 9.021 9.771 1.00 0.00 H new ATOM 0 HA LYS A 53 1.396 8.071 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.910 8.433 10.062 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.984 9.824 9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.150 9.560 12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.513 9.705 11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.028 7.420 11.820 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.720 7.001 12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.484 6.864 14.128 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.799 8.020 14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.480 8.659 15.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.359 9.800 14.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.921 8.917 13.516 1.00 0.00 H new ATOM 731 N ASP A 54 0.287 5.690 9.589 1.00 0.00 N ATOM 732 CA ASP A 54 0.015 4.303 9.817 1.00 0.00 C ATOM 733 C ASP A 54 -0.753 3.800 8.591 1.00 0.00 C ATOM 734 O ASP A 54 -0.219 3.085 7.754 1.00 0.00 O ATOM 735 CB ASP A 54 -0.858 4.093 11.099 1.00 0.00 C ATOM 736 CG ASP A 54 -0.066 4.352 12.384 1.00 0.00 C ATOM 737 OD1 ASP A 54 1.191 4.416 12.329 1.00 0.00 O ATOM 738 OD2 ASP A 54 -0.724 4.465 13.453 1.00 0.00 O ATOM 0 H ASP A 54 -0.596 6.197 9.659 1.00 0.00 H new ATOM 0 HA ASP A 54 0.948 3.760 9.968 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.719 4.760 11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.244 3.074 11.111 1.00 0.00 H new ATOM 743 N ILE A 55 -2.067 4.124 8.422 1.00 0.00 N ATOM 744 CA ILE A 55 -2.861 3.670 7.259 1.00 0.00 C ATOM 745 C ILE A 55 -3.319 4.866 6.389 1.00 0.00 C ATOM 746 O ILE A 55 -4.237 5.603 6.743 1.00 0.00 O ATOM 747 CB ILE A 55 -4.003 2.695 7.567 1.00 0.00 C ATOM 748 CG1 ILE A 55 -3.648 1.325 8.239 1.00 0.00 C ATOM 749 CG2 ILE A 55 -4.675 2.339 6.219 1.00 0.00 C ATOM 750 CD1 ILE A 55 -2.611 1.216 9.370 1.00 0.00 C ATOM 0 H ILE A 55 -2.592 4.699 9.081 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.169 3.062 6.676 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.613 3.227 8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.580 0.914 8.627 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.314 0.661 7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.496 1.644 6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.060 3.246 5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.942 1.875 5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.524 0.176 9.685 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.644 1.569 9.012 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.929 1.826 10.215 1.00 0.00 H new ATOM 762 N LEU A 56 -2.606 5.080 5.240 1.00 0.00 N ATOM 763 CA LEU A 56 -2.685 6.261 4.344 1.00 0.00 C ATOM 764 C LEU A 56 -2.750 6.110 2.858 1.00 0.00 C ATOM 765 O LEU A 56 -2.321 5.086 2.335 1.00 0.00 O ATOM 766 CB LEU A 56 -1.679 7.390 4.603 1.00 0.00 C ATOM 767 CG LEU A 56 -0.206 6.986 4.452 1.00 0.00 C ATOM 768 CD1 LEU A 56 0.262 6.793 2.982 1.00 0.00 C ATOM 769 CD2 LEU A 56 0.642 8.026 5.185 1.00 0.00 C ATOM 0 H LEU A 56 -1.929 4.395 4.904 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.693 6.504 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.889 8.209 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.835 7.772 5.612 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.080 5.998 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.314 6.509 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.331 6.009 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.132 7.726 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.696 7.765 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.473 9.009 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.362 8.047 6.238 1.00 0.00 H new ATOM 781 N LEU A 57 -3.206 7.202 2.160 1.00 0.00 N ATOM 782 CA LEU A 57 -3.277 7.491 0.738 1.00 0.00 C ATOM 783 C LEU A 57 -2.047 7.307 -0.091 1.00 0.00 C ATOM 784 O LEU A 57 -1.079 8.033 -0.112 1.00 0.00 O ATOM 785 CB LEU A 57 -3.733 8.991 0.623 1.00 0.00 C ATOM 786 CG LEU A 57 -2.833 10.245 0.933 1.00 0.00 C ATOM 787 CD1 LEU A 57 -1.883 10.135 2.132 1.00 0.00 C ATOM 788 CD2 LEU A 57 -2.162 10.891 -0.303 1.00 0.00 C ATOM 0 H LEU A 57 -3.578 7.994 2.685 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.960 6.748 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.078 9.119 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.607 9.086 1.267 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.590 10.954 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.321 11.063 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.461 9.956 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.191 9.308 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.564 11.746 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.519 10.159 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.930 11.224 -1.002 1.00 0.00 H new ATOM 800 N CYS A 58 -2.066 6.196 -0.793 1.00 0.00 N ATOM 801 CA CYS A 58 -1.050 5.671 -1.592 1.00 0.00 C ATOM 802 C CYS A 58 -1.641 5.455 -2.985 1.00 0.00 C ATOM 803 O CYS A 58 -2.828 5.609 -3.258 1.00 0.00 O ATOM 804 CB CYS A 58 -0.553 4.461 -0.747 1.00 0.00 C ATOM 805 SG CYS A 58 1.257 4.505 -0.469 1.00 0.00 S ATOM 0 H CYS A 58 -2.892 5.598 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.169 6.271 -1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.066 4.457 0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.818 3.533 -1.254 1.00 0.00 H new ATOM 0 HG CYS A 58 1.873 4.445 -1.612 1.00 0.00 H new ATOM 811 N ASP A 59 -0.757 5.041 -3.892 1.00 0.00 N ATOM 812 CA ASP A 59 -1.001 4.455 -5.221 1.00 0.00 C ATOM 813 C ASP A 59 -1.227 2.927 -5.018 1.00 0.00 C ATOM 814 O ASP A 59 -2.157 2.416 -5.634 1.00 0.00 O ATOM 815 CB ASP A 59 0.075 4.749 -6.345 1.00 0.00 C ATOM 816 CG ASP A 59 -0.550 4.749 -7.753 1.00 0.00 C ATOM 817 OD1 ASP A 59 -1.042 3.679 -8.194 1.00 0.00 O ATOM 818 OD2 ASP A 59 -0.534 5.829 -8.402 1.00 0.00 O ATOM 0 H ASP A 59 0.243 5.111 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.881 4.954 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.543 5.715 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.864 3.998 -6.298 1.00 0.00 H new ATOM 823 N PRO A 60 -0.490 2.110 -4.192 1.00 0.00 N ATOM 824 CA PRO A 60 0.616 2.407 -3.271 1.00 0.00 C ATOM 825 C PRO A 60 1.812 3.095 -3.837 1.00 0.00 C ATOM 826 O PRO A 60 1.961 4.280 -3.542 1.00 0.00 O ATOM 827 CB PRO A 60 0.936 1.091 -2.505 1.00 0.00 C ATOM 828 CG PRO A 60 0.200 0.014 -3.297 1.00 0.00 C ATOM 829 CD PRO A 60 -0.984 0.766 -3.917 1.00 0.00 C ATOM 0 HA PRO A 60 0.277 3.186 -2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.008 0.899 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.588 1.135 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.839 -0.428 -4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.135 -0.799 -2.653 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.324 0.278 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.833 0.792 -3.234 1.00 0.00 H new ATOM 837 N ILE A 61 2.722 2.407 -4.529 1.00 0.00 N ATOM 838 CA ILE A 61 4.068 2.928 -4.702 1.00 0.00 C ATOM 839 C ILE A 61 4.519 3.047 -6.150 1.00 0.00 C ATOM 840 O ILE A 61 3.879 2.446 -7.007 1.00 0.00 O ATOM 841 CB ILE A 61 4.929 2.138 -3.701 1.00 0.00 C ATOM 842 CG1 ILE A 61 4.677 2.792 -2.312 1.00 0.00 C ATOM 843 CG2 ILE A 61 6.436 2.036 -4.006 1.00 0.00 C ATOM 844 CD1 ILE A 61 5.918 3.079 -1.476 1.00 0.00 C ATOM 0 H ILE A 61 2.551 1.503 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 61 4.161 3.986 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 61 4.620 1.094 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.141 3.729 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.019 2.139 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.927 1.455 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.580 1.545 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.869 3.036 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.623 3.534 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.448 2.147 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.572 3.762 -2.018 1.00 0.00 H new ATOM 856 N PRO A 62 5.572 3.857 -6.503 1.00 0.00 N ATOM 857 CA PRO A 62 5.976 4.271 -7.845 1.00 0.00 C ATOM 858 C PRO A 62 6.202 3.193 -8.908 1.00 0.00 C ATOM 859 O PRO A 62 6.971 2.272 -8.702 1.00 0.00 O ATOM 860 CB PRO A 62 7.391 4.878 -7.519 1.00 0.00 C ATOM 861 CG PRO A 62 7.366 5.374 -6.069 1.00 0.00 C ATOM 862 CD PRO A 62 6.006 4.920 -5.589 1.00 0.00 C ATOM 0 HA PRO A 62 5.190 4.885 -8.285 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.169 4.126 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.621 5.698 -8.199 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.171 4.938 -5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.477 6.457 -6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.060 4.552 -4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.297 5.748 -5.593 1.00 0.00 H new ATOM 870 N LEU A 63 5.555 3.306 -10.084 1.00 0.00 N ATOM 871 CA LEU A 63 5.468 2.535 -11.347 1.00 0.00 C ATOM 872 C LEU A 63 6.689 1.978 -12.090 1.00 0.00 C ATOM 873 O LEU A 63 6.706 1.666 -13.282 1.00 0.00 O ATOM 874 CB LEU A 63 4.322 3.151 -12.164 1.00 0.00 C ATOM 875 CG LEU A 63 3.020 3.104 -11.311 1.00 0.00 C ATOM 876 CD1 LEU A 63 2.524 4.454 -10.730 1.00 0.00 C ATOM 877 CD2 LEU A 63 1.990 2.337 -12.136 1.00 0.00 C ATOM 0 H LEU A 63 4.950 4.121 -10.187 1.00 0.00 H new ATOM 0 HA LEU A 63 5.268 1.507 -11.045 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.560 4.180 -12.433 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.184 2.602 -13.095 1.00 0.00 H new ATOM 0 HG LEU A 63 3.228 2.583 -10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.612 4.290 -10.157 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.291 4.874 -10.079 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.320 5.148 -11.545 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.054 2.274 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.819 2.856 -13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.360 1.332 -12.337 1.00 0.00 H new ATOM 889 N ASP A 64 7.757 1.994 -11.313 1.00 0.00 N ATOM 890 CA ASP A 64 9.149 1.724 -11.528 1.00 0.00 C ATOM 891 C ASP A 64 9.708 1.047 -10.284 1.00 0.00 C ATOM 892 O ASP A 64 10.873 1.258 -9.948 1.00 0.00 O ATOM 893 CB ASP A 64 9.751 3.154 -11.500 1.00 0.00 C ATOM 894 CG ASP A 64 9.530 3.871 -12.833 1.00 0.00 C ATOM 895 OD1 ASP A 64 10.088 3.397 -13.858 1.00 0.00 O ATOM 896 OD2 ASP A 64 8.802 4.900 -12.841 1.00 0.00 O ATOM 0 H ASP A 64 7.624 2.247 -10.334 1.00 0.00 H new ATOM 0 HA ASP A 64 9.344 1.124 -12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.294 3.729 -10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.818 3.098 -11.286 1.00 0.00 H new ATOM 901 N THR A 65 8.892 0.301 -9.485 1.00 0.00 N ATOM 902 CA THR A 65 9.335 -0.017 -8.125 1.00 0.00 C ATOM 903 C THR A 65 9.595 -1.422 -7.922 1.00 0.00 C ATOM 904 O THR A 65 8.720 -2.208 -7.606 1.00 0.00 O ATOM 905 CB THR A 65 8.513 0.444 -6.899 1.00 0.00 C ATOM 906 OG1 THR A 65 8.525 1.846 -6.795 1.00 0.00 O ATOM 907 CG2 THR A 65 9.136 0.062 -5.545 1.00 0.00 C ATOM 0 H THR A 65 7.978 -0.066 -9.751 1.00 0.00 H new ATOM 0 HA THR A 65 10.227 0.609 -8.132 1.00 0.00 H new ATOM 0 HB THR A 65 7.541 -0.020 -7.065 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.714 2.212 -7.207 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.499 0.421 -4.737 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.228 -1.022 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.123 0.516 -5.458 1.00 0.00 H new ATOM 915 N GLU A 66 10.897 -1.723 -7.849 1.00 0.00 N ATOM 916 CA GLU A 66 11.439 -2.941 -7.247 1.00 0.00 C ATOM 917 C GLU A 66 11.162 -2.908 -5.718 1.00 0.00 C ATOM 918 O GLU A 66 11.918 -2.337 -4.946 1.00 0.00 O ATOM 919 CB GLU A 66 12.974 -2.883 -7.528 1.00 0.00 C ATOM 920 CG GLU A 66 13.861 -4.038 -7.015 1.00 0.00 C ATOM 921 CD GLU A 66 13.856 -5.218 -7.985 1.00 0.00 C ATOM 922 OE1 GLU A 66 12.755 -5.754 -8.272 1.00 0.00 O ATOM 923 OE2 GLU A 66 14.961 -5.598 -8.458 1.00 0.00 O ATOM 0 H GLU A 66 11.621 -1.107 -8.218 1.00 0.00 H new ATOM 0 HA GLU A 66 10.995 -3.852 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.111 -2.814 -8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.355 -1.956 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.882 -3.682 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.505 -4.366 -6.039 1.00 0.00 H new ATOM 930 N VAL A 67 10.020 -3.545 -5.346 1.00 0.00 N ATOM 931 CA VAL A 67 9.281 -3.733 -4.101 1.00 0.00 C ATOM 932 C VAL A 67 9.477 -5.138 -3.747 1.00 0.00 C ATOM 933 O VAL A 67 10.048 -5.910 -4.497 1.00 0.00 O ATOM 934 CB VAL A 67 7.764 -3.464 -4.051 1.00 0.00 C ATOM 935 CG1 VAL A 67 7.521 -2.290 -3.092 1.00 0.00 C ATOM 936 CG2 VAL A 67 7.125 -3.283 -5.411 1.00 0.00 C ATOM 0 H VAL A 67 9.509 -4.031 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 67 9.679 -2.971 -3.431 1.00 0.00 H new ATOM 0 HB VAL A 67 7.260 -4.351 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.453 -2.079 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.890 -2.549 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.047 -1.408 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.058 -3.098 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.585 -2.435 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.272 -4.185 -6.005 1.00 0.00 H new ATOM 946 N THR A 68 9.005 -5.509 -2.551 1.00 0.00 N ATOM 947 CA THR A 68 9.186 -6.860 -2.053 1.00 0.00 C ATOM 948 C THR A 68 7.905 -7.645 -2.305 1.00 0.00 C ATOM 949 O THR A 68 6.806 -7.095 -2.277 1.00 0.00 O ATOM 950 CB THR A 68 9.763 -6.798 -0.649 1.00 0.00 C ATOM 951 OG1 THR A 68 9.905 -8.046 0.000 1.00 0.00 O ATOM 952 CG2 THR A 68 8.834 -5.962 0.189 1.00 0.00 C ATOM 0 H THR A 68 8.498 -4.889 -1.919 1.00 0.00 H new ATOM 0 HA THR A 68 9.936 -7.445 -2.585 1.00 0.00 H new ATOM 0 HB THR A 68 10.767 -6.386 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 68 10.202 -7.903 0.923 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.220 -5.897 1.206 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.762 -4.961 -0.236 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.846 -6.421 0.205 1.00 0.00 H new ATOM 960 N ALA A 69 8.043 -8.949 -2.615 1.00 0.00 N ATOM 961 CA ALA A 69 6.995 -9.889 -2.953 1.00 0.00 C ATOM 962 C ALA A 69 6.874 -10.943 -1.867 1.00 0.00 C ATOM 963 O ALA A 69 7.891 -11.358 -1.305 1.00 0.00 O ATOM 964 CB ALA A 69 7.353 -10.496 -4.311 1.00 0.00 C ATOM 0 H ALA A 69 8.963 -9.389 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 69 6.023 -9.400 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.585 -11.213 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.414 -9.705 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.315 -11.004 -4.240 1.00 0.00 H new ATOM 970 N LEU A 70 5.636 -11.394 -1.499 1.00 0.00 N ATOM 971 CA LEU A 70 5.414 -12.314 -0.370 1.00 0.00 C ATOM 972 C LEU A 70 5.995 -13.728 -0.498 1.00 0.00 C ATOM 973 O LEU A 70 5.491 -14.684 -1.086 1.00 0.00 O ATOM 974 CB LEU A 70 3.973 -12.375 0.138 1.00 0.00 C ATOM 975 CG LEU A 70 3.783 -12.542 1.680 1.00 0.00 C ATOM 976 CD1 LEU A 70 4.536 -13.684 2.395 1.00 0.00 C ATOM 977 CD2 LEU A 70 4.049 -11.235 2.445 1.00 0.00 C ATOM 0 H LEU A 70 4.779 -11.124 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 70 6.020 -11.819 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.463 -11.463 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.471 -13.205 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 70 2.733 -12.833 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.299 -13.666 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.232 -14.641 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.610 -13.553 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.904 -11.402 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.074 -10.910 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.358 -10.465 2.101 1.00 0.00 H new ATOM 989 N SER A 71 7.160 -13.745 0.140 1.00 0.00 N ATOM 990 CA SER A 71 8.191 -14.695 0.435 1.00 0.00 C ATOM 991 C SER A 71 8.446 -14.313 1.887 1.00 0.00 C ATOM 992 O SER A 71 7.901 -13.310 2.346 1.00 0.00 O ATOM 993 CB SER A 71 9.406 -14.651 -0.547 1.00 0.00 C ATOM 994 OG SER A 71 9.748 -13.338 -0.996 1.00 0.00 O ATOM 0 H SER A 71 7.449 -12.859 0.555 1.00 0.00 H new ATOM 0 HA SER A 71 7.939 -15.747 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.273 -15.092 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.181 -15.272 -1.414 1.00 0.00 H new ATOM 0 HG SER A 71 8.929 -12.830 -1.176 1.00 0.00 H new ATOM 1063 N PHE A 76 12.209 -12.044 2.527 1.00 0.00 N ATOM 1064 CA PHE A 76 11.486 -11.760 1.272 1.00 0.00 C ATOM 1065 C PHE A 76 12.266 -11.113 0.117 1.00 0.00 C ATOM 1066 O PHE A 76 13.291 -10.456 0.286 1.00 0.00 O ATOM 1067 CB PHE A 76 10.113 -11.022 1.423 1.00 0.00 C ATOM 1068 CG PHE A 76 9.874 -10.072 2.566 1.00 0.00 C ATOM 1069 CD1 PHE A 76 10.798 -9.153 3.031 1.00 0.00 C ATOM 1070 CD2 PHE A 76 8.603 -10.072 3.119 1.00 0.00 C ATOM 1071 CE1 PHE A 76 10.439 -8.252 4.015 1.00 0.00 C ATOM 1072 CE2 PHE A 76 8.237 -9.178 4.095 1.00 0.00 C ATOM 1073 CZ PHE A 76 9.157 -8.253 4.534 1.00 0.00 C ATOM 0 HA PHE A 76 11.307 -12.796 0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.945 -10.464 0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.340 -11.789 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.799 -9.140 2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.880 -10.796 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.165 -7.541 4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.241 -9.200 4.512 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.878 -7.528 5.284 1.00 0.00 H new ATOM 1083 N SER A 77 11.796 -11.371 -1.132 1.00 0.00 N ATOM 1084 CA SER A 77 12.525 -11.029 -2.367 1.00 0.00 C ATOM 1085 C SER A 77 11.797 -10.011 -3.228 1.00 0.00 C ATOM 1086 O SER A 77 10.578 -9.903 -3.160 1.00 0.00 O ATOM 1087 CB SER A 77 12.832 -12.313 -3.188 1.00 0.00 C ATOM 1088 OG SER A 77 13.639 -13.201 -2.416 1.00 0.00 O ATOM 0 H SER A 77 10.898 -11.823 -1.303 1.00 0.00 H new ATOM 0 HA SER A 77 13.460 -10.562 -2.057 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.902 -12.806 -3.471 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.347 -12.050 -4.112 1.00 0.00 H new ATOM 0 HG SER A 77 13.828 -14.009 -2.938 1.00 0.00 H new ATOM 1094 N ALA A 78 12.537 -9.210 -4.052 1.00 0.00 N ATOM 1095 CA ALA A 78 12.004 -8.110 -4.865 1.00 0.00 C ATOM 1096 C ALA A 78 11.612 -8.367 -6.327 1.00 0.00 C ATOM 1097 O ALA A 78 12.134 -9.245 -7.010 1.00 0.00 O ATOM 1098 CB ALA A 78 12.851 -6.813 -4.689 1.00 0.00 C ATOM 0 H ALA A 78 13.544 -9.328 -4.161 1.00 0.00 H new ATOM 0 HA ALA A 78 11.013 -7.981 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.430 -6.017 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.837 -6.509 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.879 -7.005 -4.997 1.00 0.00 H new ATOM 1104 N GLY A 79 10.621 -7.555 -6.796 1.00 0.00 N ATOM 1105 CA GLY A 79 10.006 -7.553 -8.118 1.00 0.00 C ATOM 1106 C GLY A 79 9.385 -6.202 -8.257 1.00 0.00 C ATOM 1107 O GLY A 79 9.306 -5.459 -7.291 1.00 0.00 O ATOM 0 H GLY A 79 10.214 -6.836 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.747 -7.728 -8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.258 -8.341 -8.206 1.00 0.00 H new ATOM 1111 N VAL A 80 9.000 -5.815 -9.480 1.00 0.00 N ATOM 1112 CA VAL A 80 8.683 -4.456 -9.854 1.00 0.00 C ATOM 1113 C VAL A 80 7.232 -4.105 -10.035 1.00 0.00 C ATOM 1114 O VAL A 80 6.620 -4.645 -10.945 1.00 0.00 O ATOM 1115 CB VAL A 80 9.434 -4.209 -11.171 1.00 0.00 C ATOM 1116 CG1 VAL A 80 9.182 -2.833 -11.837 1.00 0.00 C ATOM 1117 CG2 VAL A 80 10.926 -4.251 -10.825 1.00 0.00 C ATOM 0 H VAL A 80 8.901 -6.472 -10.254 1.00 0.00 H new ATOM 0 HA VAL A 80 8.981 -3.821 -9.019 1.00 0.00 H new ATOM 0 HB VAL A 80 9.086 -4.964 -11.876 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.760 -2.764 -12.759 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.121 -2.728 -12.065 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.487 -2.038 -11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.514 -4.081 -11.727 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.152 -3.475 -10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.176 -5.227 -10.408 1.00 0.00 H new ATOM 1127 N VAL A 81 6.635 -3.117 -9.285 1.00 0.00 N ATOM 1128 CA VAL A 81 5.312 -2.560 -9.717 1.00 0.00 C ATOM 1129 C VAL A 81 5.402 -1.809 -11.070 1.00 0.00 C ATOM 1130 O VAL A 81 6.306 -0.970 -11.214 1.00 0.00 O ATOM 1131 CB VAL A 81 4.572 -1.618 -8.729 1.00 0.00 C ATOM 1132 CG1 VAL A 81 4.914 -2.003 -7.303 1.00 0.00 C ATOM 1133 CG2 VAL A 81 4.864 -0.100 -8.854 1.00 0.00 C ATOM 0 H VAL A 81 7.023 -2.714 -8.432 1.00 0.00 H new ATOM 0 HA VAL A 81 4.722 -3.474 -9.783 1.00 0.00 H new ATOM 0 HB VAL A 81 3.523 -1.757 -8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.393 -1.340 -6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.606 -3.032 -7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.990 -1.914 -7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.285 0.445 -8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.927 0.081 -8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.586 0.243 -9.850 1.00 0.00 H new ATOM 1143 N LYS A 82 4.504 -2.169 -12.040 1.00 0.00 N ATOM 1144 CA LYS A 82 4.430 -1.592 -13.385 1.00 0.00 C ATOM 1145 C LYS A 82 2.997 -1.251 -13.773 1.00 0.00 C ATOM 1146 O LYS A 82 2.744 -0.139 -14.229 1.00 0.00 O ATOM 1147 CB LYS A 82 5.001 -2.513 -14.504 1.00 0.00 C ATOM 1148 CG LYS A 82 6.517 -2.730 -14.430 1.00 0.00 C ATOM 1149 CD LYS A 82 7.038 -3.553 -15.614 1.00 0.00 C ATOM 1150 CE LYS A 82 8.562 -3.722 -15.596 1.00 0.00 C ATOM 1151 NZ LYS A 82 9.018 -4.537 -16.745 1.00 0.00 N ATOM 0 H LYS A 82 3.800 -2.891 -11.884 1.00 0.00 H new ATOM 0 HA LYS A 82 5.047 -0.696 -13.320 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.504 -3.482 -14.450 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.754 -2.082 -15.474 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.021 -1.764 -14.410 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.765 -3.238 -13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.568 -4.536 -15.602 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.742 -3.070 -16.545 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.041 -2.743 -15.627 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.868 -4.197 -14.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.505 -5.387 -16.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.197 -4.819 -17.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.672 -3.978 -17.329 1.00 0.00 H new ATOM 1165 N GLY A 83 1.998 -2.164 -13.591 1.00 0.00 N ATOM 1166 CA GLY A 83 0.607 -1.854 -13.945 1.00 0.00 C ATOM 1167 C GLY A 83 -0.332 -2.319 -12.873 1.00 0.00 C ATOM 1168 O GLY A 83 -0.268 -3.471 -12.441 1.00 0.00 O ATOM 0 H GLY A 83 2.140 -3.099 -13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.495 -0.780 -14.092 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.352 -2.333 -14.890 1.00 0.00 H new ATOM 1172 N HIS A 84 -1.267 -1.460 -12.404 1.00 0.00 N ATOM 1173 CA HIS A 84 -2.202 -1.837 -11.359 1.00 0.00 C ATOM 1174 C HIS A 84 -3.557 -1.213 -11.512 1.00 0.00 C ATOM 1175 O HIS A 84 -3.744 -0.211 -12.206 1.00 0.00 O ATOM 1176 CB HIS A 84 -1.651 -1.583 -9.947 1.00 0.00 C ATOM 1177 CG HIS A 84 -0.563 -0.572 -9.792 1.00 0.00 C ATOM 1178 ND1 HIS A 84 -0.709 0.794 -9.699 1.00 0.00 N ATOM 1179 CD2 HIS A 84 0.743 -0.829 -9.523 1.00 0.00 C ATOM 1180 CE1 HIS A 84 0.512 1.296 -9.393 1.00 0.00 C ATOM 1181 NE2 HIS A 84 1.417 0.345 -9.255 1.00 0.00 N ATOM 0 H HIS A 84 -1.381 -0.505 -12.743 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.328 -2.913 -11.483 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.484 -1.278 -9.313 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.284 -2.532 -9.556 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.569 1.325 -9.834 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.190 -1.812 -9.519 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.720 2.349 -9.276 1.00 0.00 H new ATOM 1302 N TYR A 92 -6.011 -5.927 -8.432 1.00 0.00 N ATOM 1303 CA TYR A 92 -4.803 -6.586 -8.931 1.00 0.00 C ATOM 1304 C TYR A 92 -3.656 -5.620 -9.165 1.00 0.00 C ATOM 1305 O TYR A 92 -3.795 -4.596 -9.832 1.00 0.00 O ATOM 1306 CB TYR A 92 -5.002 -7.709 -10.022 1.00 0.00 C ATOM 1307 CG TYR A 92 -6.077 -7.527 -11.080 1.00 0.00 C ATOM 1308 CD1 TYR A 92 -7.406 -7.830 -10.824 1.00 0.00 C ATOM 1309 CD2 TYR A 92 -5.738 -7.236 -12.390 1.00 0.00 C ATOM 1310 CE1 TYR A 92 -8.350 -7.813 -11.836 1.00 0.00 C ATOM 1311 CE2 TYR A 92 -6.663 -7.261 -13.412 1.00 0.00 C ATOM 1312 CZ TYR A 92 -7.977 -7.554 -13.134 1.00 0.00 C ATOM 1313 OH TYR A 92 -8.944 -7.593 -14.158 1.00 0.00 O ATOM 0 HA TYR A 92 -4.479 -7.207 -8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.051 -7.838 -10.538 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.210 -8.642 -9.499 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.709 -8.083 -9.819 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.714 -6.981 -12.619 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.387 -8.005 -11.605 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.357 -7.051 -14.426 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.520 -7.386 -15.017 1.00 0.00 H new ATOM 1323 N TYR A 93 -2.482 -5.962 -8.581 1.00 0.00 N ATOM 1324 CA TYR A 93 -1.211 -5.275 -8.661 1.00 0.00 C ATOM 1325 C TYR A 93 -0.298 -6.149 -9.504 1.00 0.00 C ATOM 1326 O TYR A 93 -0.048 -7.286 -9.095 1.00 0.00 O ATOM 1327 CB TYR A 93 -0.591 -5.113 -7.219 1.00 0.00 C ATOM 1328 CG TYR A 93 -0.309 -3.687 -6.861 1.00 0.00 C ATOM 1329 CD1 TYR A 93 -1.319 -2.749 -6.992 1.00 0.00 C ATOM 1330 CD2 TYR A 93 0.944 -3.272 -6.418 1.00 0.00 C ATOM 1331 CE1 TYR A 93 -1.029 -1.407 -6.823 1.00 0.00 C ATOM 1332 CE2 TYR A 93 1.225 -1.941 -6.279 1.00 0.00 C ATOM 1333 CZ TYR A 93 0.259 -1.017 -6.534 1.00 0.00 C ATOM 1334 OH TYR A 93 0.680 0.312 -6.641 1.00 0.00 O ATOM 0 H TYR A 93 -2.416 -6.797 -7.999 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.332 -4.282 -9.095 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.276 -5.538 -6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.334 -5.686 -7.161 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.326 -3.063 -7.224 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.700 -4.007 -6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.811 -0.668 -6.918 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.210 -1.624 -5.968 1.00 0.00 H new ATOM 0 HH TYR A 93 1.316 0.395 -7.382 1.00 0.00 H new ATOM 1344 N SER A 94 0.232 -5.684 -10.686 1.00 0.00 N ATOM 1345 CA SER A 94 1.175 -6.457 -11.512 1.00 0.00 C ATOM 1346 C SER A 94 2.580 -6.104 -11.111 1.00 0.00 C ATOM 1347 O SER A 94 3.103 -5.000 -11.302 1.00 0.00 O ATOM 1348 CB SER A 94 1.051 -6.498 -13.069 1.00 0.00 C ATOM 1349 OG SER A 94 1.126 -5.236 -13.714 1.00 0.00 O ATOM 0 H SER A 94 0.007 -4.768 -11.073 1.00 0.00 H new ATOM 0 HA SER A 94 0.876 -7.478 -11.277 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.840 -7.137 -13.464 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.102 -6.966 -13.330 1.00 0.00 H new ATOM 0 HG SER A 94 0.604 -4.579 -13.208 1.00 0.00 H new ATOM 1355 N ILE A 95 3.166 -7.127 -10.473 1.00 0.00 N ATOM 1356 CA ILE A 95 4.485 -7.156 -9.892 1.00 0.00 C ATOM 1357 C ILE A 95 5.319 -7.874 -10.929 1.00 0.00 C ATOM 1358 O ILE A 95 5.056 -9.043 -11.210 1.00 0.00 O ATOM 1359 CB ILE A 95 4.441 -7.892 -8.543 1.00 0.00 C ATOM 1360 CG1 ILE A 95 3.153 -7.569 -7.742 1.00 0.00 C ATOM 1361 CG2 ILE A 95 5.677 -7.550 -7.683 1.00 0.00 C ATOM 1362 CD1 ILE A 95 2.975 -6.095 -7.367 1.00 0.00 C ATOM 0 H ILE A 95 2.680 -8.015 -10.349 1.00 0.00 H new ATOM 0 HA ILE A 95 4.898 -6.172 -9.669 1.00 0.00 H new ATOM 0 HB ILE A 95 4.443 -8.957 -8.773 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.290 -7.886 -8.328 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.153 -8.163 -6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.620 -8.084 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.582 -7.847 -8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.703 -6.477 -7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.046 -5.971 -6.810 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.814 -5.773 -6.751 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.938 -5.491 -8.274 1.00 0.00 H new ATOM 1374 N GLU A 96 6.327 -7.219 -11.574 1.00 0.00 N ATOM 1375 CA GLU A 96 7.148 -7.873 -12.605 1.00 0.00 C ATOM 1376 C GLU A 96 8.309 -8.571 -11.949 1.00 0.00 C ATOM 1377 O GLU A 96 9.179 -7.973 -11.324 1.00 0.00 O ATOM 1378 CB GLU A 96 7.550 -6.986 -13.801 1.00 0.00 C ATOM 1379 CG GLU A 96 8.208 -7.779 -14.955 1.00 0.00 C ATOM 1380 CD GLU A 96 9.732 -7.859 -14.823 1.00 0.00 C ATOM 1381 OE1 GLU A 96 10.382 -6.780 -14.763 1.00 0.00 O ATOM 1382 OE2 GLU A 96 10.265 -9.000 -14.781 1.00 0.00 O ATOM 0 H GLU A 96 6.579 -6.248 -11.392 1.00 0.00 H new ATOM 0 HA GLU A 96 6.514 -8.617 -13.088 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.665 -6.474 -14.179 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.241 -6.216 -13.458 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.796 -8.788 -14.978 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.954 -7.309 -15.905 1.00 0.00 H new ATOM 1389 N LYS A 97 8.227 -9.906 -11.993 1.00 0.00 N ATOM 1390 CA LYS A 97 8.995 -10.746 -11.102 1.00 0.00 C ATOM 1391 C LYS A 97 9.457 -12.000 -11.786 1.00 0.00 C ATOM 1392 O LYS A 97 8.668 -12.694 -12.428 1.00 0.00 O ATOM 1393 CB LYS A 97 7.976 -11.174 -10.017 1.00 0.00 C ATOM 1394 CG LYS A 97 8.401 -12.204 -8.956 1.00 0.00 C ATOM 1395 CD LYS A 97 9.503 -11.736 -8.003 1.00 0.00 C ATOM 1396 CE LYS A 97 10.116 -12.932 -7.268 1.00 0.00 C ATOM 1397 NZ LYS A 97 11.210 -12.506 -6.368 1.00 0.00 N ATOM 0 H LYS A 97 7.631 -10.418 -12.643 1.00 0.00 H new ATOM 0 HA LYS A 97 9.873 -10.217 -10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.658 -10.274 -9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.099 -11.572 -10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.526 -12.479 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.740 -13.107 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.276 -11.209 -8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.093 -11.029 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.344 -13.441 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.498 -13.651 -7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.605 -13.338 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.956 -12.042 -6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.839 -11.839 -5.662 1.00 0.00 H new ATOM 1411 N GLU A 98 10.767 -12.356 -11.680 1.00 0.00 N ATOM 1412 CA GLU A 98 11.400 -13.573 -12.216 1.00 0.00 C ATOM 1413 C GLU A 98 11.448 -13.640 -13.760 1.00 0.00 C ATOM 1414 O GLU A 98 11.946 -14.573 -14.383 1.00 0.00 O ATOM 1415 CB GLU A 98 10.754 -14.825 -11.522 1.00 0.00 C ATOM 1416 CG GLU A 98 11.372 -16.207 -11.797 1.00 0.00 C ATOM 1417 CD GLU A 98 12.871 -16.215 -11.490 1.00 0.00 C ATOM 1418 OE1 GLU A 98 13.237 -15.950 -10.314 1.00 0.00 O ATOM 1419 OE2 GLU A 98 13.667 -16.492 -12.427 1.00 0.00 O ATOM 0 H GLU A 98 11.437 -11.763 -11.190 1.00 0.00 H new ATOM 0 HA GLU A 98 12.460 -13.554 -11.964 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.777 -14.658 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.705 -14.865 -11.816 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.870 -16.960 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.210 -16.479 -12.840 1.00 0.00 H new ATOM 1426 N GLY A 99 10.969 -12.538 -14.385 1.00 0.00 N ATOM 1427 CA GLY A 99 10.929 -12.286 -15.822 1.00 0.00 C ATOM 1428 C GLY A 99 9.513 -12.208 -16.320 1.00 0.00 C ATOM 1429 O GLY A 99 9.272 -11.925 -17.488 1.00 0.00 O ATOM 0 H GLY A 99 10.578 -11.760 -13.854 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.448 -11.354 -16.045 1.00 0.00 H new ATOM 0 HA3 GLY A 99 11.459 -13.080 -16.348 1.00 0.00 H new ATOM 1433 N GLN A 100 8.518 -12.462 -15.431 1.00 0.00 N ATOM 1434 CA GLN A 100 7.101 -12.482 -15.757 1.00 0.00 C ATOM 1435 C GLN A 100 6.278 -11.664 -14.802 1.00 0.00 C ATOM 1436 O GLN A 100 6.756 -11.169 -13.794 1.00 0.00 O ATOM 1437 CB GLN A 100 6.577 -13.937 -15.991 1.00 0.00 C ATOM 1438 CG GLN A 100 6.945 -15.033 -14.948 1.00 0.00 C ATOM 1439 CD GLN A 100 6.038 -15.059 -13.714 1.00 0.00 C ATOM 1440 OE1 GLN A 100 4.973 -15.688 -13.682 1.00 0.00 O ATOM 1441 NE2 GLN A 100 6.464 -14.339 -12.643 1.00 0.00 N ATOM 0 H GLN A 100 8.702 -12.661 -14.448 1.00 0.00 H new ATOM 0 HA GLN A 100 6.977 -11.979 -16.716 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.490 -13.892 -16.056 1.00 0.00 H new ATOM 0 HB3 GLN A 100 6.941 -14.269 -16.964 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.906 -16.008 -15.434 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.974 -14.879 -14.625 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.345 -13.828 -12.690 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.903 -14.310 -11.792 1.00 0.00 H new ATOM 1450 N ARG A 101 4.983 -11.436 -15.110 1.00 0.00 N ATOM 1451 CA ARG A 101 4.117 -10.578 -14.328 1.00 0.00 C ATOM 1452 C ARG A 101 3.248 -11.372 -13.395 1.00 0.00 C ATOM 1453 O ARG A 101 2.519 -12.269 -13.807 1.00 0.00 O ATOM 1454 CB ARG A 101 3.234 -9.639 -15.209 1.00 0.00 C ATOM 1455 CG ARG A 101 4.009 -8.744 -16.200 1.00 0.00 C ATOM 1456 CD ARG A 101 4.349 -9.412 -17.546 1.00 0.00 C ATOM 1457 NE ARG A 101 5.099 -8.424 -18.404 1.00 0.00 N ATOM 1458 CZ ARG A 101 6.464 -8.397 -18.537 1.00 0.00 C ATOM 1459 NH1 ARG A 101 7.252 -9.329 -17.929 1.00 0.00 N ATOM 1460 NH2 ARG A 101 7.042 -7.416 -19.290 1.00 0.00 N ATOM 0 H ARG A 101 4.522 -11.854 -15.918 1.00 0.00 H new ATOM 0 HA ARG A 101 4.782 -9.945 -13.740 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.530 -10.252 -15.772 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.645 -9.000 -14.552 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.421 -7.847 -16.394 1.00 0.00 H new ATOM 0 HG3 ARG A 101 4.936 -8.421 -15.727 1.00 0.00 H new ATOM 0 HD2 ARG A 101 4.953 -10.304 -17.382 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.437 -9.732 -18.049 1.00 0.00 H new ATOM 0 HE ARG A 101 4.556 -7.731 -18.919 1.00 0.00 H new ATOM 0 HH11 ARG A 101 6.828 -10.064 -17.363 1.00 0.00 H new ATOM 0 HH12 ARG A 101 8.265 -9.291 -18.041 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.460 -6.714 -19.746 1.00 0.00 H new ATOM 0 HH22 ARG A 101 8.056 -7.385 -19.396 1.00 0.00 H new ATOM 1474 N LYS A 102 3.311 -11.042 -12.088 1.00 0.00 N ATOM 1475 CA LYS A 102 2.461 -11.678 -11.093 1.00 0.00 C ATOM 1476 C LYS A 102 1.402 -10.662 -10.758 1.00 0.00 C ATOM 1477 O LYS A 102 1.700 -9.586 -10.251 1.00 0.00 O ATOM 1478 CB LYS A 102 3.291 -12.139 -9.861 1.00 0.00 C ATOM 1479 CG LYS A 102 3.857 -13.554 -10.118 1.00 0.00 C ATOM 1480 CD LYS A 102 5.173 -13.884 -9.398 1.00 0.00 C ATOM 1481 CE LYS A 102 5.447 -15.393 -9.321 1.00 0.00 C ATOM 1482 NZ LYS A 102 6.741 -15.662 -8.652 1.00 0.00 N ATOM 0 H LYS A 102 3.945 -10.338 -11.710 1.00 0.00 H new ATOM 0 HA LYS A 102 1.997 -12.592 -11.464 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.105 -11.439 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.665 -12.143 -8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.107 -14.286 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.010 -13.675 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.998 -13.396 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.143 -13.473 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.642 -15.885 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.457 -15.816 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.904 -16.688 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.509 -15.210 -9.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.719 -15.277 -7.686 1.00 0.00 H new ATOM 1496 N TRP A 103 0.111 -10.979 -11.032 1.00 0.00 N ATOM 1497 CA TRP A 103 -1.018 -10.117 -10.748 1.00 0.00 C ATOM 1498 C TRP A 103 -1.613 -10.636 -9.439 1.00 0.00 C ATOM 1499 O TRP A 103 -2.216 -11.709 -9.388 1.00 0.00 O ATOM 1500 CB TRP A 103 -2.113 -10.169 -11.870 1.00 0.00 C ATOM 1501 CG TRP A 103 -1.850 -9.419 -13.177 1.00 0.00 C ATOM 1502 CD1 TRP A 103 -1.610 -9.914 -14.430 1.00 0.00 C ATOM 1503 CD2 TRP A 103 -2.037 -7.999 -13.345 1.00 0.00 C ATOM 1504 NE1 TRP A 103 -1.651 -8.891 -15.360 1.00 0.00 N ATOM 1505 CE2 TRP A 103 -1.931 -7.717 -14.705 1.00 0.00 C ATOM 1506 CE3 TRP A 103 -2.273 -7.004 -12.441 1.00 0.00 C ATOM 1507 CZ2 TRP A 103 -2.094 -6.446 -15.182 1.00 0.00 C ATOM 1508 CZ3 TRP A 103 -2.454 -5.721 -12.919 1.00 0.00 C ATOM 1509 CH2 TRP A 103 -2.374 -5.446 -14.272 1.00 0.00 C ATOM 0 H TRP A 103 -0.158 -11.863 -11.465 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.688 -9.080 -10.689 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -2.286 -11.216 -12.117 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -3.041 -9.784 -11.447 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.417 -10.952 -14.659 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.499 -8.992 -16.364 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.317 -7.214 -11.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.007 -6.231 -16.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.661 -4.920 -12.225 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.533 -4.436 -14.621 1.00 0.00 H new ATOM 1520 N TYR A 104 -1.409 -9.871 -8.355 1.00 0.00 N ATOM 1521 CA TYR A 104 -1.834 -10.217 -7.010 1.00 0.00 C ATOM 1522 C TYR A 104 -2.661 -9.110 -6.461 1.00 0.00 C ATOM 1523 O TYR A 104 -2.277 -7.959 -6.601 1.00 0.00 O ATOM 1524 CB TYR A 104 -0.631 -10.318 -6.041 1.00 0.00 C ATOM 1525 CG TYR A 104 0.426 -11.326 -6.435 1.00 0.00 C ATOM 1526 CD1 TYR A 104 0.096 -12.624 -6.793 1.00 0.00 C ATOM 1527 CD2 TYR A 104 1.761 -11.012 -6.231 1.00 0.00 C ATOM 1528 CE1 TYR A 104 1.069 -13.607 -6.874 1.00 0.00 C ATOM 1529 CE2 TYR A 104 2.725 -11.998 -6.276 1.00 0.00 C ATOM 1530 CZ TYR A 104 2.376 -13.299 -6.561 1.00 0.00 C ATOM 1531 OH TYR A 104 3.358 -14.308 -6.493 1.00 0.00 O ATOM 0 H TYR A 104 -0.930 -8.972 -8.403 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.365 -11.166 -7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.164 -9.336 -5.963 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -1.003 -10.574 -5.049 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.932 -12.872 -7.011 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.048 -9.989 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 104 0.805 -14.608 -7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 104 3.758 -11.748 -6.087 1.00 0.00 H new ATOM 0 HH TYR A 104 4.222 -13.908 -6.261 1.00 0.00 H new ATOM 1541 N LYS A 105 -3.738 -9.383 -5.655 1.00 0.00 N ATOM 1542 CA LYS A 105 -4.352 -8.376 -4.801 1.00 0.00 C ATOM 1543 C LYS A 105 -3.347 -8.011 -3.704 1.00 0.00 C ATOM 1544 O LYS A 105 -2.693 -8.878 -3.126 1.00 0.00 O ATOM 1545 CB LYS A 105 -5.696 -8.832 -4.175 1.00 0.00 C ATOM 1546 CG LYS A 105 -5.732 -10.160 -3.405 1.00 0.00 C ATOM 1547 CD LYS A 105 -6.997 -10.262 -2.539 1.00 0.00 C ATOM 1548 CE LYS A 105 -7.124 -11.616 -1.829 1.00 0.00 C ATOM 1549 NZ LYS A 105 -8.299 -11.634 -0.926 1.00 0.00 N ATOM 0 H LYS A 105 -4.180 -10.301 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.596 -7.511 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.029 -8.046 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.431 -8.894 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.700 -10.993 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.847 -10.242 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.987 -9.466 -1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.874 -10.102 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.217 -12.411 -2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.218 -11.817 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.363 -12.560 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.196 -10.889 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.164 -11.465 -1.478 1.00 0.00 H new ATOM 1563 N ARG A 106 -3.125 -6.689 -3.546 1.00 0.00 N ATOM 1564 CA ARG A 106 -2.034 -5.963 -2.913 1.00 0.00 C ATOM 1565 C ARG A 106 -1.273 -6.523 -1.730 1.00 0.00 C ATOM 1566 O ARG A 106 -0.106 -6.207 -1.570 1.00 0.00 O ATOM 1567 CB ARG A 106 -2.561 -4.570 -2.532 1.00 0.00 C ATOM 1568 CG ARG A 106 -2.828 -3.681 -3.757 1.00 0.00 C ATOM 1569 CD ARG A 106 -2.842 -2.175 -3.456 1.00 0.00 C ATOM 1570 NE ARG A 106 -4.056 -1.795 -2.650 1.00 0.00 N ATOM 1571 CZ ARG A 106 -5.066 -0.994 -3.113 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -5.073 -0.546 -4.401 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -6.093 -0.659 -2.279 1.00 0.00 N ATOM 0 H ARG A 106 -3.809 -6.028 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.267 -6.012 -3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.482 -4.679 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.838 -4.078 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.066 -3.882 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.787 -3.961 -4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.939 -1.902 -2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.832 -1.614 -4.390 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.131 -2.157 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.318 -0.807 -5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.833 0.050 -4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -6.104 -1.005 -1.319 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.849 -0.063 -2.615 1.00 0.00 H new ATOM 1587 N MET A 107 -1.881 -7.433 -0.934 1.00 0.00 N ATOM 1588 CA MET A 107 -1.319 -8.161 0.197 1.00 0.00 C ATOM 1589 C MET A 107 -0.182 -9.148 -0.150 1.00 0.00 C ATOM 1590 O MET A 107 0.593 -9.518 0.734 1.00 0.00 O ATOM 1591 CB MET A 107 -2.451 -8.831 1.031 1.00 0.00 C ATOM 1592 CG MET A 107 -3.208 -9.951 0.280 1.00 0.00 C ATOM 1593 SD MET A 107 -4.834 -10.345 0.981 1.00 0.00 S ATOM 1594 CE MET A 107 -4.238 -10.903 2.600 1.00 0.00 C ATOM 0 H MET A 107 -2.856 -7.688 -1.090 1.00 0.00 H new ATOM 0 HA MET A 107 -0.822 -7.409 0.811 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.020 -9.246 1.942 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.165 -8.066 1.336 1.00 0.00 H new ATOM 0 HG2 MET A 107 -3.335 -9.654 -0.761 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.596 -10.853 0.281 1.00 0.00 H new ATOM 0 HE1 MET A 107 -5.057 -11.366 3.150 1.00 0.00 H new ATOM 0 HE2 MET A 107 -3.437 -11.629 2.462 1.00 0.00 H new ATOM 0 HE3 MET A 107 -3.861 -10.049 3.163 1.00 0.00 H new ATOM 1604 N ALA A 108 0.012 -9.552 -1.465 1.00 0.00 N ATOM 1605 CA ALA A 108 1.151 -10.386 -1.871 1.00 0.00 C ATOM 1606 C ALA A 108 2.366 -9.597 -2.298 1.00 0.00 C ATOM 1607 O ALA A 108 3.363 -10.141 -2.765 1.00 0.00 O ATOM 1608 CB ALA A 108 0.805 -11.453 -2.933 1.00 0.00 C ATOM 0 H ALA A 108 -0.614 -9.301 -2.230 1.00 0.00 H new ATOM 0 HA ALA A 108 1.409 -10.914 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.699 -12.026 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.041 -12.124 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.430 -10.964 -3.832 1.00 0.00 H new ATOM 1614 N VAL A 109 2.301 -8.276 -2.072 1.00 0.00 N ATOM 1615 CA VAL A 109 3.352 -7.316 -2.085 1.00 0.00 C ATOM 1616 C VAL A 109 3.298 -6.651 -0.751 1.00 0.00 C ATOM 1617 O VAL A 109 2.286 -6.495 -0.070 1.00 0.00 O ATOM 1618 CB VAL A 109 3.541 -6.356 -3.256 1.00 0.00 C ATOM 1619 CG1 VAL A 109 4.013 -7.197 -4.445 1.00 0.00 C ATOM 1620 CG2 VAL A 109 2.289 -5.514 -3.556 1.00 0.00 C ATOM 0 H VAL A 109 1.407 -7.835 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 109 4.266 -7.879 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 109 4.291 -5.604 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.163 -6.552 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 109 4.952 -7.689 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.261 -7.950 -4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.489 -4.852 -4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.457 -6.174 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.033 -4.918 -2.680 1.00 0.00 H new ATOM 1630 N ILE A 110 4.506 -6.271 -0.403 1.00 0.00 N ATOM 1631 CA ILE A 110 4.915 -5.545 0.782 1.00 0.00 C ATOM 1632 C ILE A 110 5.846 -4.446 0.264 1.00 0.00 C ATOM 1633 O ILE A 110 6.362 -4.474 -0.861 1.00 0.00 O ATOM 1634 CB ILE A 110 5.614 -6.409 1.877 1.00 0.00 C ATOM 1635 CG1 ILE A 110 5.351 -7.933 1.782 1.00 0.00 C ATOM 1636 CG2 ILE A 110 5.204 -5.982 3.301 1.00 0.00 C ATOM 1637 CD1 ILE A 110 6.302 -8.677 0.850 1.00 0.00 C ATOM 0 H ILE A 110 5.306 -6.482 -1.000 1.00 0.00 H new ATOM 0 HA ILE A 110 4.035 -5.162 1.299 1.00 0.00 H new ATOM 0 HB ILE A 110 6.671 -6.226 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 110 5.426 -8.366 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.328 -8.093 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.715 -6.611 4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.481 -4.940 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.126 -6.093 3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.048 -9.737 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.212 -8.275 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.327 -8.552 1.200 1.00 0.00 H new ATOM 1649 N LEU A 111 6.139 -3.462 1.133 1.00 0.00 N ATOM 1650 CA LEU A 111 7.138 -2.424 0.879 1.00 0.00 C ATOM 1651 C LEU A 111 7.809 -2.073 2.193 1.00 0.00 C ATOM 1652 O LEU A 111 7.204 -2.247 3.251 1.00 0.00 O ATOM 1653 CB LEU A 111 6.551 -1.156 0.204 1.00 0.00 C ATOM 1654 CG LEU A 111 5.066 -0.870 0.513 1.00 0.00 C ATOM 1655 CD1 LEU A 111 4.770 -0.809 1.979 1.00 0.00 C ATOM 1656 CD2 LEU A 111 4.699 0.484 -0.036 1.00 0.00 C ATOM 0 H LEU A 111 5.680 -3.370 2.039 1.00 0.00 H new ATOM 0 HA LEU A 111 7.864 -2.822 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.142 -0.294 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.668 -1.252 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 111 4.502 -1.687 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.710 -0.605 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.025 -1.763 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.360 -0.015 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.651 0.692 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.323 1.247 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.857 0.494 -1.114 1.00 0.00 H new ATOM 1668 N SER A 112 9.062 -1.549 2.149 1.00 0.00 N ATOM 1669 CA SER A 112 9.799 -1.120 3.344 1.00 0.00 C ATOM 1670 C SER A 112 9.718 0.404 3.493 1.00 0.00 C ATOM 1671 O SER A 112 9.361 1.069 2.524 1.00 0.00 O ATOM 1672 CB SER A 112 11.246 -1.692 3.386 1.00 0.00 C ATOM 1673 OG SER A 112 12.080 -1.254 2.314 1.00 0.00 O ATOM 0 H SER A 112 9.580 -1.417 1.280 1.00 0.00 H new ATOM 0 HA SER A 112 9.320 -1.547 4.225 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.709 -1.408 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.195 -2.781 3.370 1.00 0.00 H new ATOM 0 HG SER A 112 12.970 -1.652 2.409 1.00 0.00 H new ATOM 1679 N LEU A 113 10.049 1.039 4.680 1.00 0.00 N ATOM 1680 CA LEU A 113 9.976 2.509 4.921 1.00 0.00 C ATOM 1681 C LEU A 113 10.721 3.335 3.932 1.00 0.00 C ATOM 1682 O LEU A 113 10.121 4.221 3.385 1.00 0.00 O ATOM 1683 CB LEU A 113 10.437 3.118 6.269 1.00 0.00 C ATOM 1684 CG LEU A 113 9.883 2.469 7.544 1.00 0.00 C ATOM 1685 CD1 LEU A 113 10.967 2.552 8.624 1.00 0.00 C ATOM 1686 CD2 LEU A 113 8.564 3.043 8.078 1.00 0.00 C ATOM 0 H LEU A 113 10.376 0.523 5.497 1.00 0.00 H new ATOM 0 HA LEU A 113 8.889 2.557 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.525 3.071 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.163 4.173 6.277 1.00 0.00 H new ATOM 0 HG LEU A 113 9.631 1.443 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.600 2.097 9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.858 2.021 8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.216 3.597 8.810 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.272 2.506 8.980 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.695 4.100 8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.786 2.932 7.322 1.00 0.00 H new ATOM 1698 N GLU A 114 12.012 3.114 3.631 1.00 0.00 N ATOM 1699 CA GLU A 114 12.741 3.961 2.656 1.00 0.00 C ATOM 1700 C GLU A 114 12.320 3.927 1.184 1.00 0.00 C ATOM 1701 O GLU A 114 12.516 4.893 0.454 1.00 0.00 O ATOM 1702 CB GLU A 114 14.250 4.185 2.900 1.00 0.00 C ATOM 1703 CG GLU A 114 14.448 5.669 3.293 1.00 0.00 C ATOM 1704 CD GLU A 114 15.926 5.983 3.479 1.00 0.00 C ATOM 1705 OE1 GLU A 114 16.679 5.908 2.471 1.00 0.00 O ATOM 1706 OE2 GLU A 114 16.325 6.305 4.630 1.00 0.00 O ATOM 0 H GLU A 114 12.572 2.366 4.041 1.00 0.00 H new ATOM 0 HA GLU A 114 12.297 4.908 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.611 3.528 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.822 3.947 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.028 6.314 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.907 5.882 4.215 1.00 0.00 H new ATOM 1713 N GLN A 115 11.574 2.859 0.784 1.00 0.00 N ATOM 1714 CA GLN A 115 10.835 2.750 -0.478 1.00 0.00 C ATOM 1715 C GLN A 115 9.466 3.446 -0.402 1.00 0.00 C ATOM 1716 O GLN A 115 8.830 3.697 -1.417 1.00 0.00 O ATOM 1717 CB GLN A 115 10.588 1.278 -0.859 1.00 0.00 C ATOM 1718 CG GLN A 115 11.896 0.490 -0.997 1.00 0.00 C ATOM 1719 CD GLN A 115 11.551 -0.939 -1.386 1.00 0.00 C ATOM 1720 OE1 GLN A 115 11.213 -1.153 -2.683 1.00 0.00 O flip ATOM 1721 NE2 GLN A 115 11.555 -1.835 -0.528 1.00 0.00 N flip ATOM 0 H GLN A 115 11.476 2.026 1.364 1.00 0.00 H new ATOM 0 HA GLN A 115 11.456 3.237 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 115 9.961 0.808 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 115 10.038 1.235 -1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 115 12.536 0.946 -1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 115 12.450 0.505 -0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.818 -1.619 0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 115 11.296 -2.788 -0.784 1.00 0.00 H new ATOM 1730 N GLY A 116 9.064 3.797 0.838 1.00 0.00 N ATOM 1731 CA GLY A 116 7.930 4.564 1.323 1.00 0.00 C ATOM 1732 C GLY A 116 8.286 6.027 1.546 1.00 0.00 C ATOM 1733 O GLY A 116 7.509 6.909 1.226 1.00 0.00 O ATOM 0 H GLY A 116 9.627 3.493 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.112 4.495 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.572 4.131 2.257 1.00 0.00 H new ATOM 1737 N ASN A 117 9.488 6.337 2.125 1.00 0.00 N ATOM 1738 CA ASN A 117 10.043 7.647 2.517 1.00 0.00 C ATOM 1739 C ASN A 117 10.488 8.518 1.383 1.00 0.00 C ATOM 1740 O ASN A 117 10.449 9.746 1.445 1.00 0.00 O ATOM 1741 CB ASN A 117 11.204 7.617 3.549 1.00 0.00 C ATOM 1742 CG ASN A 117 10.811 6.847 4.801 1.00 0.00 C ATOM 1743 OD1 ASN A 117 11.624 6.140 5.391 1.00 0.00 O ATOM 1744 ND2 ASN A 117 9.530 6.983 5.214 1.00 0.00 N ATOM 0 H ASN A 117 10.148 5.591 2.345 1.00 0.00 H new ATOM 0 HA ASN A 117 9.160 8.077 2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.083 7.157 3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.481 8.636 3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 117 9.207 6.488 6.045 1.00 0.00 H new ATOM 0 HD22 ASN A 117 8.887 7.581 4.694 1.00 0.00 H new ATOM 1751 N ARG A 118 10.857 7.862 0.257 1.00 0.00 N ATOM 1752 CA ARG A 118 11.226 8.496 -0.991 1.00 0.00 C ATOM 1753 C ARG A 118 10.025 9.280 -1.615 1.00 0.00 C ATOM 1754 O ARG A 118 10.153 10.334 -2.230 1.00 0.00 O ATOM 1755 CB ARG A 118 11.678 7.429 -2.018 1.00 0.00 C ATOM 1756 CG ARG A 118 10.651 6.307 -2.265 1.00 0.00 C ATOM 1757 CD ARG A 118 10.852 5.575 -3.596 1.00 0.00 C ATOM 1758 NE ARG A 118 12.109 4.749 -3.525 1.00 0.00 N ATOM 1759 CZ ARG A 118 12.285 3.577 -4.214 1.00 0.00 C ATOM 1760 NH1 ARG A 118 11.314 3.091 -5.039 1.00 0.00 N ATOM 1761 NH2 ARG A 118 13.451 2.882 -4.063 1.00 0.00 N ATOM 0 H ARG A 118 10.901 6.844 0.211 1.00 0.00 H new ATOM 0 HA ARG A 118 12.037 9.190 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.893 7.923 -2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.610 6.982 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 118 10.710 5.585 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.648 6.732 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.994 4.936 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.921 6.294 -4.413 1.00 0.00 H new ATOM 0 HE ARG A 118 12.871 5.079 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 118 10.438 3.601 -5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 118 11.464 2.217 -5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.179 3.236 -3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.594 2.009 -4.570 1.00 0.00 H new ATOM 1775 N LEU A 119 8.820 8.672 -1.379 1.00 0.00 N ATOM 1776 CA LEU A 119 7.426 8.922 -1.691 1.00 0.00 C ATOM 1777 C LEU A 119 6.776 9.777 -0.658 1.00 0.00 C ATOM 1778 O LEU A 119 6.011 10.647 -1.045 1.00 0.00 O ATOM 1779 CB LEU A 119 6.606 7.583 -1.820 1.00 0.00 C ATOM 1780 CG LEU A 119 5.072 7.703 -1.957 1.00 0.00 C ATOM 1781 CD1 LEU A 119 4.459 6.472 -2.637 1.00 0.00 C ATOM 1782 CD2 LEU A 119 4.350 7.746 -0.618 1.00 0.00 C ATOM 0 H LEU A 119 8.855 7.805 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 119 7.421 9.442 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 119 6.981 7.040 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.820 6.971 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 119 4.943 8.624 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.379 6.598 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.882 6.359 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.680 5.583 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.276 7.831 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.559 6.832 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.697 8.606 -0.045 1.00 0.00 H new ATOM 1794 N ARG A 120 6.963 9.519 0.666 1.00 0.00 N ATOM 1795 CA ARG A 120 6.251 10.074 1.822 1.00 0.00 C ATOM 1796 C ARG A 120 5.861 11.563 1.842 1.00 0.00 C ATOM 1797 O ARG A 120 4.840 11.959 2.388 1.00 0.00 O ATOM 1798 CB ARG A 120 6.991 9.701 3.181 1.00 0.00 C ATOM 1799 CG ARG A 120 8.233 10.562 3.542 1.00 0.00 C ATOM 1800 CD ARG A 120 7.980 11.720 4.526 1.00 0.00 C ATOM 1801 NE ARG A 120 9.245 12.530 4.617 1.00 0.00 N ATOM 1802 CZ ARG A 120 9.300 13.780 5.172 1.00 0.00 C ATOM 1803 NH1 ARG A 120 8.192 14.354 5.722 1.00 0.00 N ATOM 1804 NH2 ARG A 120 10.484 14.463 5.168 1.00 0.00 N ATOM 0 H ARG A 120 7.681 8.858 0.963 1.00 0.00 H new ATOM 0 HA ARG A 120 5.284 9.582 1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.271 9.779 3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.301 8.657 3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.994 9.908 3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.646 10.975 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.153 12.341 4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.702 11.334 5.507 1.00 0.00 H new ATOM 0 HE ARG A 120 10.105 12.127 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.305 13.851 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.251 15.286 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.315 14.041 4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.536 15.395 5.579 1.00 0.00 H new ATOM 1818 N GLU A 121 6.712 12.383 1.184 1.00 0.00 N ATOM 1819 CA GLU A 121 6.655 13.808 0.968 1.00 0.00 C ATOM 1820 C GLU A 121 5.888 14.212 -0.300 1.00 0.00 C ATOM 1821 O GLU A 121 5.284 15.282 -0.339 1.00 0.00 O ATOM 1822 CB GLU A 121 8.128 14.322 0.931 1.00 0.00 C ATOM 1823 CG GLU A 121 9.071 13.560 -0.034 1.00 0.00 C ATOM 1824 CD GLU A 121 10.491 14.107 0.111 1.00 0.00 C ATOM 1825 OE1 GLU A 121 11.071 13.956 1.219 1.00 0.00 O ATOM 1826 OE2 GLU A 121 11.014 14.676 -0.884 1.00 0.00 O ATOM 0 H GLU A 121 7.548 11.993 0.748 1.00 0.00 H new ATOM 0 HA GLU A 121 6.093 14.268 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.121 15.375 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.541 14.264 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.055 12.493 0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.728 13.675 -1.062 1.00 0.00 H new ATOM 1833 N GLN A 122 5.917 13.358 -1.362 1.00 0.00 N ATOM 1834 CA GLN A 122 5.314 13.538 -2.672 1.00 0.00 C ATOM 1835 C GLN A 122 3.985 12.810 -2.857 1.00 0.00 C ATOM 1836 O GLN A 122 3.085 13.388 -3.464 1.00 0.00 O ATOM 1837 CB GLN A 122 6.311 13.202 -3.843 1.00 0.00 C ATOM 1838 CG GLN A 122 7.029 11.827 -3.781 1.00 0.00 C ATOM 1839 CD GLN A 122 8.019 11.615 -4.949 1.00 0.00 C ATOM 1840 OE1 GLN A 122 7.726 11.859 -6.125 1.00 0.00 O ATOM 1841 NE2 GLN A 122 9.243 11.122 -4.632 1.00 0.00 N ATOM 0 H GLN A 122 6.405 12.465 -1.297 1.00 0.00 H new ATOM 0 HA GLN A 122 5.082 14.602 -2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 122 5.761 13.256 -4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.072 13.981 -3.874 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.566 11.745 -2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.283 11.032 -3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.477 10.923 -3.659 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.929 10.950 -5.367 1.00 0.00 H new ATOM 1850 N TYR A 123 3.804 11.528 -2.394 1.00 0.00 N ATOM 1851 CA TYR A 123 2.536 10.837 -2.703 1.00 0.00 C ATOM 1852 C TYR A 123 1.803 10.188 -1.557 1.00 0.00 C ATOM 1853 O TYR A 123 0.835 9.506 -1.881 1.00 0.00 O ATOM 1854 CB TYR A 123 2.588 9.711 -3.809 1.00 0.00 C ATOM 1855 CG TYR A 123 3.498 10.011 -4.950 1.00 0.00 C ATOM 1856 CD1 TYR A 123 3.331 11.073 -5.815 1.00 0.00 C ATOM 1857 CD2 TYR A 123 4.556 9.163 -5.151 1.00 0.00 C ATOM 1858 CE1 TYR A 123 4.231 11.262 -6.847 1.00 0.00 C ATOM 1859 CE2 TYR A 123 5.477 9.361 -6.131 1.00 0.00 C ATOM 1860 CZ TYR A 123 5.303 10.406 -7.017 1.00 0.00 C ATOM 1861 OH TYR A 123 6.279 10.711 -7.986 1.00 0.00 O ATOM 0 H TYR A 123 4.478 10.996 -1.844 1.00 0.00 H new ATOM 0 HA TYR A 123 2.005 11.722 -3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 123 2.903 8.777 -3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 123 1.581 9.551 -4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.502 11.753 -5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 123 4.662 8.304 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.095 12.088 -7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 123 6.334 8.709 -6.216 1.00 0.00 H new ATOM 0 HH TYR A 123 6.932 11.336 -7.607 1.00 0.00 H new ATOM 1871 N GLY A 124 2.132 10.273 -0.230 1.00 0.00 N ATOM 1872 CA GLY A 124 1.276 9.502 0.612 1.00 0.00 C ATOM 1873 C GLY A 124 1.883 9.412 1.937 1.00 0.00 C ATOM 1874 O GLY A 124 1.326 10.063 2.805 1.00 0.00 O ATOM 0 H GLY A 124 2.889 10.804 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.292 9.966 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 124 1.131 8.506 0.194 1.00 0.00 H new ATOM 1878 N LEU A 125 3.000 8.619 2.142 1.00 0.00 N ATOM 1879 CA LEU A 125 3.613 8.090 3.405 1.00 0.00 C ATOM 1880 C LEU A 125 3.879 9.009 4.608 1.00 0.00 C ATOM 1881 O LEU A 125 4.496 8.600 5.590 1.00 0.00 O ATOM 1882 CB LEU A 125 4.604 6.835 3.280 1.00 0.00 C ATOM 1883 CG LEU A 125 3.939 5.441 3.446 1.00 0.00 C ATOM 1884 CD1 LEU A 125 2.920 5.286 4.617 1.00 0.00 C ATOM 1885 CD2 LEU A 125 3.473 4.972 2.050 1.00 0.00 C ATOM 0 H LEU A 125 3.542 8.308 1.336 1.00 0.00 H new ATOM 0 HA LEU A 125 2.665 7.673 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.090 6.873 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.388 6.936 4.031 1.00 0.00 H new ATOM 0 HG LEU A 125 4.687 4.739 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.527 4.269 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.420 5.490 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.100 5.991 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.001 3.993 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.756 5.687 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.333 4.904 1.383 1.00 0.00 H new ATOM 1897 N GLY A 126 3.269 10.227 4.584 1.00 0.00 N ATOM 1898 CA GLY A 126 3.023 11.026 5.792 1.00 0.00 C ATOM 1899 C GLY A 126 2.288 12.341 5.586 1.00 0.00 C ATOM 1900 O GLY A 126 2.985 13.294 5.255 1.00 0.00 O ATOM 0 H GLY A 126 2.940 10.670 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.451 10.419 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.982 11.239 6.263 1.00 0.00 H new ATOM 1904 N PRO A 127 0.957 12.598 5.757 1.00 0.00 N ATOM 1905 CA PRO A 127 0.399 13.958 5.618 1.00 0.00 C ATOM 1906 C PRO A 127 0.580 14.802 6.908 1.00 0.00 C ATOM 1907 O PRO A 127 0.550 16.030 6.854 1.00 0.00 O ATOM 1908 CB PRO A 127 -1.092 13.660 5.346 1.00 0.00 C ATOM 1909 CG PRO A 127 -1.397 12.440 6.230 1.00 0.00 C ATOM 1910 CD PRO A 127 -0.086 11.623 6.126 1.00 0.00 C ATOM 0 HA PRO A 127 0.886 14.548 4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -1.723 14.510 5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -1.270 13.444 4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.617 12.727 7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.257 11.878 5.865 1.00 0.00 H new ATOM 0 HD2 PRO A 127 0.149 11.136 7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.172 10.837 5.376 1.00 0.00 H new