USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.203 K(o=0.42,f=-0.86) USER MOD Set 1.3: A 81 THR OG1 : rot -123:sc= 0.214 USER MOD Set 2.1: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -28:sc= 0.026 USER MOD Single : A 17 SER OG : rot 180:sc= -0.369 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.732 K(o=0.73,f=-0.23) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0212 F(o=-1.1,f=-0.021) USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.814 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0061) USER MOD Single : A 39 SER OG : rot -167:sc= -1.55 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 72:sc= 1.2 USER MOD Single : A 49 ASN : amide:sc= -0.542 K(o=-0.54,f=-3.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.546 K(o=0.55,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= -1.44 (180deg=-3.18!) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.982 F(o=-2.5!,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 6 -8.203 9.110 3.332 1.00 0.00 N ATOM 82 CA PRO A 6 -7.029 9.341 4.178 1.00 0.00 C ATOM 83 C PRO A 6 -6.472 8.053 4.774 1.00 0.00 C ATOM 84 O PRO A 6 -7.210 7.098 5.036 1.00 0.00 O ATOM 85 CB PRO A 6 -7.540 10.266 5.288 1.00 0.00 C ATOM 86 CG PRO A 6 -9.024 10.133 5.267 1.00 0.00 C ATOM 87 CD PRO A 6 -9.399 9.792 3.853 1.00 0.00 C ATOM 0 HA PRO A 6 -6.207 9.767 3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.134 9.977 6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.236 11.298 5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.354 9.354 5.955 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.502 11.061 5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.277 9.147 3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.635 10.685 3.274 1.00 0.00 H new ATOM 95 N ILE A 7 -5.166 8.046 5.015 1.00 0.00 N ATOM 96 CA ILE A 7 -4.476 6.845 5.466 1.00 0.00 C ATOM 97 C ILE A 7 -4.898 6.462 6.882 1.00 0.00 C ATOM 98 O ILE A 7 -4.888 5.290 7.242 1.00 0.00 O ATOM 99 CB ILE A 7 -2.938 7.006 5.394 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.241 5.678 5.697 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.456 8.085 6.350 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.607 4.568 4.736 1.00 0.00 C ATOM 0 H ILE A 7 -4.563 8.861 4.905 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.765 6.042 4.788 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.681 7.310 4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.162 5.829 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.494 5.368 6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.372 8.177 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.919 9.036 6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.731 7.817 7.370 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.075 3.657 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.681 4.388 4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.328 4.857 3.723 1.00 0.00 H new ATOM 114 N THR A 8 -5.310 7.451 7.667 1.00 0.00 N ATOM 115 CA THR A 8 -5.762 7.203 9.030 1.00 0.00 C ATOM 116 C THR A 8 -7.001 6.299 9.032 1.00 0.00 C ATOM 117 O THR A 8 -7.323 5.667 10.037 1.00 0.00 O ATOM 118 CB THR A 8 -6.065 8.529 9.770 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.410 8.274 11.137 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.193 9.295 9.094 1.00 0.00 C ATOM 0 H THR A 8 -5.340 8.430 7.383 1.00 0.00 H new ATOM 0 HA THR A 8 -4.956 6.695 9.560 1.00 0.00 H new ATOM 0 HB THR A 8 -5.162 9.139 9.733 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.818 7.386 11.211 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.381 10.221 9.638 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.910 9.528 8.067 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.097 8.685 9.092 1.00 0.00 H new ATOM 128 N GLU A 9 -7.669 6.225 7.887 1.00 0.00 N ATOM 129 CA GLU A 9 -8.838 5.378 7.733 1.00 0.00 C ATOM 130 C GLU A 9 -8.474 4.083 7.010 1.00 0.00 C ATOM 131 O GLU A 9 -8.832 2.983 7.453 1.00 0.00 O ATOM 132 CB GLU A 9 -9.926 6.125 6.957 1.00 0.00 C ATOM 133 CG GLU A 9 -10.468 7.343 7.687 1.00 0.00 C ATOM 134 CD GLU A 9 -11.247 6.973 8.934 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.632 6.462 9.897 1.00 0.00 O ATOM 136 OE2 GLU A 9 -12.474 7.166 8.951 1.00 0.00 O ATOM 0 H GLU A 9 -7.416 6.747 7.048 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.215 5.125 8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.523 6.439 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.748 5.440 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.640 7.997 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.113 7.909 7.014 1.00 0.00 H new ATOM 143 N VAL A 10 -7.743 4.218 5.911 1.00 0.00 N ATOM 144 CA VAL A 10 -7.421 3.080 5.062 1.00 0.00 C ATOM 145 C VAL A 10 -6.450 2.119 5.742 1.00 0.00 C ATOM 146 O VAL A 10 -6.605 0.913 5.621 1.00 0.00 O ATOM 147 CB VAL A 10 -6.841 3.534 3.704 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.423 2.343 2.854 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.859 4.381 2.958 1.00 0.00 C ATOM 0 H VAL A 10 -7.361 5.107 5.587 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.358 2.552 4.885 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.952 4.133 3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.019 2.697 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.661 1.769 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.289 1.709 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.440 4.696 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.762 3.795 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.107 5.260 3.553 1.00 0.00 H new ATOM 159 N LEU A 11 -5.475 2.654 6.473 1.00 0.00 N ATOM 160 CA LEU A 11 -4.470 1.824 7.142 1.00 0.00 C ATOM 161 C LEU A 11 -5.109 0.728 8.013 1.00 0.00 C ATOM 162 O LEU A 11 -4.903 -0.460 7.751 1.00 0.00 O ATOM 163 CB LEU A 11 -3.522 2.707 7.964 1.00 0.00 C ATOM 164 CG LEU A 11 -2.746 1.995 9.073 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.847 0.914 8.502 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.943 2.997 9.882 1.00 0.00 C ATOM 0 H LEU A 11 -5.357 3.657 6.618 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.893 1.311 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.806 3.170 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.103 3.513 8.412 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.463 1.512 9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.307 0.424 9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.453 0.179 7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.134 1.362 7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.396 2.476 10.668 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.238 3.511 9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.618 3.725 10.332 1.00 0.00 H new ATOM 178 N PRO A 12 -5.893 1.085 9.052 1.00 0.00 N ATOM 179 CA PRO A 12 -6.529 0.090 9.921 1.00 0.00 C ATOM 180 C PRO A 12 -7.551 -0.768 9.179 1.00 0.00 C ATOM 181 O PRO A 12 -7.752 -1.934 9.517 1.00 0.00 O ATOM 182 CB PRO A 12 -7.210 0.929 11.003 1.00 0.00 C ATOM 183 CG PRO A 12 -7.371 2.279 10.402 1.00 0.00 C ATOM 184 CD PRO A 12 -6.204 2.460 9.480 1.00 0.00 C ATOM 0 HA PRO A 12 -5.803 -0.620 10.317 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.174 0.504 11.283 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.605 0.970 11.909 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.313 2.355 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.384 3.050 11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.456 3.098 8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.358 2.924 9.988 1.00 0.00 H new ATOM 192 N ARG A 13 -8.189 -0.198 8.159 1.00 0.00 N ATOM 193 CA ARG A 13 -9.189 -0.926 7.391 1.00 0.00 C ATOM 194 C ARG A 13 -8.559 -1.741 6.261 1.00 0.00 C ATOM 195 O ARG A 13 -9.265 -2.385 5.486 1.00 0.00 O ATOM 196 CB ARG A 13 -10.214 0.050 6.820 1.00 0.00 C ATOM 197 CG ARG A 13 -11.100 0.690 7.876 1.00 0.00 C ATOM 198 CD ARG A 13 -11.981 1.774 7.276 1.00 0.00 C ATOM 199 NE ARG A 13 -12.877 2.377 8.264 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.542 3.396 9.054 1.00 0.00 C ATOM 201 NH1 ARG A 13 -11.296 3.848 9.066 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.447 3.939 9.853 1.00 0.00 N ATOM 0 H ARG A 13 -8.031 0.761 7.849 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.682 -1.625 8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.691 0.834 6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.842 -0.476 6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.724 -0.073 8.341 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.480 1.117 8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.351 2.550 6.840 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.572 1.350 6.465 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.818 1.993 8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.591 3.415 8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.042 4.628 9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.401 3.577 9.864 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.191 4.719 10.458 1.00 0.00 H new ATOM 216 N ALA A 14 -7.235 -1.713 6.165 1.00 0.00 N ATOM 217 CA ALA A 14 -6.530 -2.445 5.121 1.00 0.00 C ATOM 218 C ALA A 14 -6.082 -3.809 5.620 1.00 0.00 C ATOM 219 O ALA A 14 -5.771 -3.981 6.801 1.00 0.00 O ATOM 220 CB ALA A 14 -5.329 -1.654 4.623 1.00 0.00 C ATOM 0 H ALA A 14 -6.628 -1.191 6.798 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.223 -2.589 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.818 -2.220 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.665 -0.700 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.643 -1.475 5.451 1.00 0.00 H new ATOM 226 N VAL A 15 -6.039 -4.769 4.712 1.00 0.00 N ATOM 227 CA VAL A 15 -5.645 -6.131 5.041 1.00 0.00 C ATOM 228 C VAL A 15 -4.359 -6.514 4.312 1.00 0.00 C ATOM 229 O VAL A 15 -3.887 -7.647 4.399 1.00 0.00 O ATOM 230 CB VAL A 15 -6.757 -7.137 4.677 1.00 0.00 C ATOM 231 CG1 VAL A 15 -7.969 -6.946 5.577 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.154 -6.989 3.216 1.00 0.00 C ATOM 0 H VAL A 15 -6.275 -4.629 3.730 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.474 -6.169 6.117 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.369 -8.144 4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.742 -7.665 5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.679 -7.102 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.356 -5.934 5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.939 -7.707 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.521 -5.978 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.287 -7.176 2.583 1.00 0.00 H new ATOM 242 N GLY A 16 -3.800 -5.563 3.581 1.00 0.00 N ATOM 243 CA GLY A 16 -2.561 -5.798 2.876 1.00 0.00 C ATOM 244 C GLY A 16 -1.923 -4.502 2.438 1.00 0.00 C ATOM 245 O GLY A 16 -2.581 -3.464 2.428 1.00 0.00 O ATOM 0 H GLY A 16 -4.187 -4.626 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.872 -6.345 3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.750 -6.425 2.005 1.00 0.00 H new ATOM 249 N SER A 17 -0.652 -4.550 2.080 1.00 0.00 N ATOM 250 CA SER A 17 0.052 -3.357 1.643 1.00 0.00 C ATOM 251 C SER A 17 1.275 -3.712 0.807 1.00 0.00 C ATOM 252 O SER A 17 1.975 -4.689 1.082 1.00 0.00 O ATOM 253 CB SER A 17 0.458 -2.515 2.853 1.00 0.00 C ATOM 254 OG SER A 17 1.156 -3.295 3.808 1.00 0.00 O ATOM 0 H SER A 17 -0.087 -5.400 2.083 1.00 0.00 H new ATOM 0 HA SER A 17 -0.623 -2.775 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.086 -1.685 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.430 -2.082 3.313 1.00 0.00 H new ATOM 0 HG SER A 17 1.406 -2.732 4.571 1.00 0.00 H new ATOM 260 N LEU A 18 1.510 -2.923 -0.228 1.00 0.00 N ATOM 261 CA LEU A 18 2.691 -3.068 -1.052 1.00 0.00 C ATOM 262 C LEU A 18 3.555 -1.823 -0.947 1.00 0.00 C ATOM 263 O LEU A 18 3.123 -0.728 -1.308 1.00 0.00 O ATOM 264 CB LEU A 18 2.303 -3.313 -2.505 1.00 0.00 C ATOM 265 CG LEU A 18 1.993 -4.768 -2.846 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.438 -4.883 -4.254 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.242 -5.616 -2.710 1.00 0.00 C ATOM 0 H LEU A 18 0.888 -2.168 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 18 3.259 -3.927 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.430 -2.705 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.114 -2.969 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 18 1.240 -5.130 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.224 -5.928 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.520 -4.300 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.171 -4.503 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.007 -6.652 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.009 -5.246 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.609 -5.561 -1.685 1.00 0.00 H new ATOM 279 N THR A 19 4.761 -1.987 -0.440 1.00 0.00 N ATOM 280 CA THR A 19 5.667 -0.870 -0.256 1.00 0.00 C ATOM 281 C THR A 19 6.573 -0.701 -1.470 1.00 0.00 C ATOM 282 O THR A 19 7.389 -1.566 -1.765 1.00 0.00 O ATOM 283 CB THR A 19 6.527 -1.065 1.006 1.00 0.00 C ATOM 284 OG1 THR A 19 5.675 -1.313 2.130 1.00 0.00 O ATOM 285 CG2 THR A 19 7.389 0.160 1.278 1.00 0.00 C ATOM 0 H THR A 19 5.138 -2.888 -0.147 1.00 0.00 H new ATOM 0 HA THR A 19 5.063 0.029 -0.137 1.00 0.00 H new ATOM 0 HB THR A 19 7.187 -1.917 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.222 -1.439 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.985 -0.007 2.175 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.051 0.335 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.749 1.030 1.424 1.00 0.00 H new ATOM 293 N PHE A 20 6.399 0.402 -2.176 1.00 0.00 N ATOM 294 CA PHE A 20 7.229 0.739 -3.327 1.00 0.00 C ATOM 295 C PHE A 20 8.210 1.844 -2.954 1.00 0.00 C ATOM 296 O PHE A 20 7.999 2.570 -1.977 1.00 0.00 O ATOM 297 CB PHE A 20 6.356 1.214 -4.496 1.00 0.00 C ATOM 298 CG PHE A 20 5.555 0.139 -5.167 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.541 -0.516 -4.496 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.811 -0.199 -6.484 1.00 0.00 C ATOM 301 CE1 PHE A 20 3.797 -1.493 -5.124 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.073 -1.176 -7.117 1.00 0.00 C ATOM 303 CZ PHE A 20 4.065 -1.825 -6.436 1.00 0.00 C ATOM 0 H PHE A 20 5.678 1.093 -1.970 1.00 0.00 H new ATOM 0 HA PHE A 20 7.778 -0.153 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.673 1.981 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.997 1.686 -5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.328 -0.260 -3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.598 0.308 -7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.006 -1.997 -4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.284 -1.433 -8.145 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.486 -2.592 -6.929 1.00 0.00 H new ATOM 313 N ASP A 21 9.279 1.976 -3.724 1.00 0.00 N ATOM 314 CA ASP A 21 10.249 3.035 -3.489 1.00 0.00 C ATOM 315 C ASP A 21 9.925 4.240 -4.364 1.00 0.00 C ATOM 316 O ASP A 21 8.921 4.239 -5.078 1.00 0.00 O ATOM 317 CB ASP A 21 11.682 2.539 -3.745 1.00 0.00 C ATOM 318 CG ASP A 21 12.085 2.560 -5.207 1.00 0.00 C ATOM 319 OD1 ASP A 21 11.321 2.075 -6.055 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.180 3.080 -5.513 1.00 0.00 O ATOM 0 H ASP A 21 9.497 1.367 -4.513 1.00 0.00 H new ATOM 0 HA ASP A 21 10.188 3.336 -2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.377 3.157 -3.177 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.777 1.521 -3.366 1.00 0.00 H new ATOM 325 N GLU A 22 10.766 5.262 -4.308 1.00 0.00 N ATOM 326 CA GLU A 22 10.542 6.488 -5.062 1.00 0.00 C ATOM 327 C GLU A 22 10.662 6.252 -6.567 1.00 0.00 C ATOM 328 O GLU A 22 10.175 7.048 -7.369 1.00 0.00 O ATOM 329 CB GLU A 22 11.526 7.575 -4.620 1.00 0.00 C ATOM 330 CG GLU A 22 12.982 7.138 -4.639 1.00 0.00 C ATOM 331 CD GLU A 22 13.439 6.549 -3.318 1.00 0.00 C ATOM 332 OE1 GLU A 22 13.073 5.395 -3.014 1.00 0.00 O ATOM 333 OE2 GLU A 22 14.166 7.241 -2.575 1.00 0.00 O ATOM 0 H GLU A 22 11.616 5.267 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 22 9.525 6.821 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.409 8.442 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.267 7.896 -3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.124 6.400 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.610 7.994 -4.886 1.00 0.00 H new ATOM 340 N ASN A 23 11.310 5.158 -6.944 1.00 0.00 N ATOM 341 CA ASN A 23 11.454 4.795 -8.342 1.00 0.00 C ATOM 342 C ASN A 23 10.352 3.820 -8.746 1.00 0.00 C ATOM 343 O ASN A 23 10.392 3.224 -9.823 1.00 0.00 O ATOM 344 CB ASN A 23 12.826 4.173 -8.587 1.00 0.00 C ATOM 345 CG ASN A 23 13.969 5.087 -8.187 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.432 5.912 -8.977 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.438 4.940 -6.957 1.00 0.00 N ATOM 0 H ASN A 23 11.746 4.504 -6.294 1.00 0.00 H new ATOM 0 HA ASN A 23 11.366 5.695 -8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.901 3.240 -8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.922 3.921 -9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.211 5.522 -6.633 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.027 4.245 -6.334 1.00 0.00 H new ATOM 354 N TYR A 24 9.378 3.661 -7.847 1.00 0.00 N ATOM 355 CA TYR A 24 8.182 2.853 -8.093 1.00 0.00 C ATOM 356 C TYR A 24 8.510 1.367 -8.261 1.00 0.00 C ATOM 357 O TYR A 24 7.864 0.661 -9.035 1.00 0.00 O ATOM 358 CB TYR A 24 7.428 3.379 -9.316 1.00 0.00 C ATOM 359 CG TYR A 24 7.005 4.826 -9.183 1.00 0.00 C ATOM 360 CD1 TYR A 24 5.893 5.177 -8.434 1.00 0.00 C ATOM 361 CD2 TYR A 24 7.719 5.837 -9.811 1.00 0.00 C ATOM 362 CE1 TYR A 24 5.502 6.496 -8.313 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.337 7.160 -9.695 1.00 0.00 C ATOM 364 CZ TYR A 24 6.228 7.484 -8.945 1.00 0.00 C ATOM 365 OH TYR A 24 5.836 8.800 -8.830 1.00 0.00 O ATOM 0 H TYR A 24 9.397 4.092 -6.923 1.00 0.00 H new ATOM 0 HA TYR A 24 7.544 2.942 -7.214 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.060 3.272 -10.197 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.544 2.763 -9.482 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.323 4.406 -7.937 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.588 5.585 -10.401 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.632 6.753 -7.727 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.904 7.935 -10.189 1.00 0.00 H new ATOM 0 HH TYR A 24 6.454 9.371 -9.333 1.00 0.00 H new ATOM 375 N ASN A 25 9.503 0.895 -7.522 1.00 0.00 N ATOM 376 CA ASN A 25 9.826 -0.527 -7.492 1.00 0.00 C ATOM 377 C ASN A 25 9.355 -1.128 -6.178 1.00 0.00 C ATOM 378 O ASN A 25 9.386 -0.461 -5.143 1.00 0.00 O ATOM 379 CB ASN A 25 11.332 -0.757 -7.645 1.00 0.00 C ATOM 380 CG ASN A 25 11.874 -0.262 -8.966 1.00 0.00 C ATOM 381 OD1 ASN A 25 12.319 0.980 -8.985 1.00 0.00 O flip ATOM 382 ND2 ASN A 25 11.899 -0.991 -9.958 1.00 0.00 N flip ATOM 0 H ASN A 25 10.101 1.475 -6.934 1.00 0.00 H new ATOM 0 HA ASN A 25 9.318 -1.009 -8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.855 -0.253 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.543 -1.822 -7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.544 -1.945 -9.899 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.275 -0.640 -10.839 1.00 0.00 H new ATOM 389 N LEU A 26 8.915 -2.373 -6.214 1.00 0.00 N ATOM 390 CA LEU A 26 8.423 -3.033 -5.018 1.00 0.00 C ATOM 391 C LEU A 26 9.560 -3.318 -4.041 1.00 0.00 C ATOM 392 O LEU A 26 10.607 -3.849 -4.418 1.00 0.00 O ATOM 393 CB LEU A 26 7.703 -4.329 -5.382 1.00 0.00 C ATOM 394 CG LEU A 26 7.176 -5.126 -4.189 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.274 -4.255 -3.328 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.434 -6.363 -4.663 1.00 0.00 C ATOM 0 H LEU A 26 8.888 -2.947 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 26 7.716 -2.362 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.867 -4.091 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.386 -4.961 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 26 8.023 -5.447 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.906 -4.836 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.838 -3.398 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.430 -3.906 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.065 -6.919 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.593 -6.065 -5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.110 -6.994 -5.240 1.00 0.00 H new ATOM 408 N LEU A 27 9.342 -2.952 -2.792 1.00 0.00 N ATOM 409 CA LEU A 27 10.299 -3.193 -1.729 1.00 0.00 C ATOM 410 C LEU A 27 9.798 -4.296 -0.803 1.00 0.00 C ATOM 411 O LEU A 27 10.449 -5.324 -0.636 1.00 0.00 O ATOM 412 CB LEU A 27 10.521 -1.915 -0.920 1.00 0.00 C ATOM 413 CG LEU A 27 11.025 -0.712 -1.712 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.056 0.521 -0.826 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.404 -0.993 -2.286 1.00 0.00 C ATOM 0 H LEU A 27 8.493 -2.477 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 27 11.241 -3.505 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.581 -1.643 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.235 -2.129 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 27 10.342 -0.527 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.417 1.373 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.051 0.731 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.722 0.345 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.748 -0.125 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.101 -1.199 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.353 -1.857 -2.949 1.00 0.00 H new ATOM 427 N ASP A 28 8.625 -4.078 -0.217 1.00 0.00 N ATOM 428 CA ASP A 28 8.083 -4.998 0.778 1.00 0.00 C ATOM 429 C ASP A 28 6.631 -5.344 0.483 1.00 0.00 C ATOM 430 O ASP A 28 5.832 -4.474 0.134 1.00 0.00 O ATOM 431 CB ASP A 28 8.201 -4.387 2.177 1.00 0.00 C ATOM 432 CG ASP A 28 7.659 -5.295 3.267 1.00 0.00 C ATOM 433 OD1 ASP A 28 8.366 -6.247 3.658 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.534 -5.051 3.749 1.00 0.00 O ATOM 0 H ASP A 28 8.031 -3.272 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 28 8.664 -5.919 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.248 -4.165 2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.663 -3.439 2.200 1.00 0.00 H new ATOM 439 N THR A 29 6.306 -6.616 0.624 1.00 0.00 N ATOM 440 CA THR A 29 4.958 -7.102 0.387 1.00 0.00 C ATOM 441 C THR A 29 4.346 -7.598 1.697 1.00 0.00 C ATOM 442 O THR A 29 4.887 -8.504 2.332 1.00 0.00 O ATOM 443 CB THR A 29 4.979 -8.249 -0.640 1.00 0.00 C ATOM 444 OG1 THR A 29 5.783 -7.874 -1.766 1.00 0.00 O ATOM 445 CG2 THR A 29 3.574 -8.595 -1.104 1.00 0.00 C ATOM 0 H THR A 29 6.967 -7.340 0.905 1.00 0.00 H new ATOM 0 HA THR A 29 4.355 -6.284 -0.006 1.00 0.00 H new ATOM 0 HB THR A 29 5.406 -9.130 -0.161 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.669 -8.532 -2.483 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.620 -9.408 -1.829 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.974 -8.905 -0.248 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.119 -7.720 -1.568 1.00 0.00 H new ATOM 453 N SER A 30 3.235 -7.006 2.109 1.00 0.00 N ATOM 454 CA SER A 30 2.641 -7.341 3.392 1.00 0.00 C ATOM 455 C SER A 30 1.146 -7.640 3.246 1.00 0.00 C ATOM 456 O SER A 30 0.463 -7.051 2.408 1.00 0.00 O ATOM 457 CB SER A 30 2.858 -6.177 4.364 1.00 0.00 C ATOM 458 OG SER A 30 2.880 -6.616 5.715 1.00 0.00 O ATOM 0 H SER A 30 2.731 -6.297 1.577 1.00 0.00 H new ATOM 0 HA SER A 30 3.122 -8.239 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.798 -5.677 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.064 -5.441 4.234 1.00 0.00 H new ATOM 0 HG SER A 30 3.022 -5.848 6.306 1.00 0.00 H new ATOM 464 N GLY A 31 0.657 -8.577 4.048 1.00 0.00 N ATOM 465 CA GLY A 31 -0.766 -8.867 4.091 1.00 0.00 C ATOM 466 C GLY A 31 -1.253 -9.634 2.881 1.00 0.00 C ATOM 467 O GLY A 31 -0.499 -10.394 2.272 1.00 0.00 O ATOM 0 H GLY A 31 1.225 -9.147 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.986 -9.442 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.319 -7.931 4.167 1.00 0.00 H new ATOM 471 N VAL A 32 -2.516 -9.423 2.523 1.00 0.00 N ATOM 472 CA VAL A 32 -3.128 -10.097 1.377 1.00 0.00 C ATOM 473 C VAL A 32 -2.397 -9.756 0.076 1.00 0.00 C ATOM 474 O VAL A 32 -2.493 -10.479 -0.914 1.00 0.00 O ATOM 475 CB VAL A 32 -4.618 -9.717 1.236 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.280 -10.519 0.128 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.351 -9.924 2.550 1.00 0.00 C ATOM 0 H VAL A 32 -3.142 -8.785 3.014 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.048 -11.169 1.559 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.672 -8.661 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.329 -10.233 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.776 -10.318 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.210 -11.582 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.399 -9.650 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.281 -10.971 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.900 -9.299 3.321 1.00 0.00 H new ATOM 487 N ALA A 33 -1.638 -8.668 0.093 1.00 0.00 N ATOM 488 CA ALA A 33 -0.883 -8.240 -1.079 1.00 0.00 C ATOM 489 C ALA A 33 0.147 -9.291 -1.495 1.00 0.00 C ATOM 490 O ALA A 33 0.687 -9.238 -2.596 1.00 0.00 O ATOM 491 CB ALA A 33 -0.203 -6.908 -0.803 1.00 0.00 C ATOM 0 H ALA A 33 -1.528 -8.064 0.908 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.582 -8.118 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.358 -6.597 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.957 -6.156 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.478 -7.015 0.042 1.00 0.00 H new ATOM 497 N LYS A 34 0.409 -10.247 -0.605 1.00 0.00 N ATOM 498 CA LYS A 34 1.357 -11.314 -0.884 1.00 0.00 C ATOM 499 C LYS A 34 0.757 -12.360 -1.821 1.00 0.00 C ATOM 500 O LYS A 34 1.482 -13.044 -2.543 1.00 0.00 O ATOM 501 CB LYS A 34 1.800 -11.974 0.422 1.00 0.00 C ATOM 502 CG LYS A 34 2.501 -11.023 1.379 1.00 0.00 C ATOM 503 CD LYS A 34 2.920 -11.720 2.665 1.00 0.00 C ATOM 504 CE LYS A 34 1.724 -12.292 3.414 1.00 0.00 C ATOM 505 NZ LYS A 34 2.114 -12.851 4.735 1.00 0.00 N ATOM 0 H LYS A 34 -0.025 -10.301 0.316 1.00 0.00 H new ATOM 0 HA LYS A 34 2.223 -10.875 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.927 -12.398 0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.470 -12.803 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.380 -10.600 0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.837 -10.192 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.620 -12.522 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.446 -11.013 3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.977 -11.511 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.258 -13.073 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.272 -13.230 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.808 -13.614 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.535 -12.101 5.319 1.00 0.00 H new ATOM 519 N VAL A 35 -0.567 -12.484 -1.811 1.00 0.00 N ATOM 520 CA VAL A 35 -1.241 -13.462 -2.662 1.00 0.00 C ATOM 521 C VAL A 35 -1.821 -12.793 -3.907 1.00 0.00 C ATOM 522 O VAL A 35 -2.086 -13.451 -4.916 1.00 0.00 O ATOM 523 CB VAL A 35 -2.359 -14.224 -1.908 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.803 -14.882 -0.658 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.523 -13.307 -1.557 1.00 0.00 C ATOM 0 H VAL A 35 -1.191 -11.925 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.485 -14.188 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.739 -14.999 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.602 -15.413 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.019 -15.587 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.388 -14.119 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.288 -13.876 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.169 -12.497 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.947 -12.891 -2.471 1.00 0.00 H new ATOM 535 N ILE A 36 -2.017 -11.483 -3.826 1.00 0.00 N ATOM 536 CA ILE A 36 -2.483 -10.703 -4.962 1.00 0.00 C ATOM 537 C ILE A 36 -1.320 -10.447 -5.919 1.00 0.00 C ATOM 538 O ILE A 36 -0.173 -10.326 -5.486 1.00 0.00 O ATOM 539 CB ILE A 36 -3.093 -9.358 -4.492 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.329 -9.612 -3.625 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.455 -8.475 -5.679 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.831 -8.376 -2.909 1.00 0.00 C ATOM 0 H ILE A 36 -1.859 -10.937 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.260 -11.267 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.343 -8.836 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.128 -10.008 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.094 -10.379 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.881 -7.538 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.559 -8.266 -6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.185 -8.988 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.708 -8.631 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.048 -7.991 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.098 -7.615 -3.642 1.00 0.00 H new ATOM 554 N GLU A 37 -1.607 -10.402 -7.215 1.00 0.00 N ATOM 555 CA GLU A 37 -0.576 -10.144 -8.214 1.00 0.00 C ATOM 556 C GLU A 37 -0.055 -8.715 -8.090 1.00 0.00 C ATOM 557 O GLU A 37 -0.739 -7.837 -7.563 1.00 0.00 O ATOM 558 CB GLU A 37 -1.116 -10.390 -9.626 1.00 0.00 C ATOM 559 CG GLU A 37 -2.256 -9.469 -10.023 1.00 0.00 C ATOM 560 CD GLU A 37 -2.777 -9.765 -11.411 1.00 0.00 C ATOM 561 OE1 GLU A 37 -2.225 -9.226 -12.391 1.00 0.00 O ATOM 562 OE2 GLU A 37 -3.735 -10.550 -11.532 1.00 0.00 O ATOM 0 H GLU A 37 -2.542 -10.540 -7.598 1.00 0.00 H new ATOM 0 HA GLU A 37 0.250 -10.833 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.302 -10.271 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.456 -11.423 -9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.069 -9.570 -9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.916 -8.434 -9.978 1.00 0.00 H new ATOM 569 N LYS A 38 1.153 -8.487 -8.580 1.00 0.00 N ATOM 570 CA LYS A 38 1.788 -7.183 -8.463 1.00 0.00 C ATOM 571 C LYS A 38 1.261 -6.241 -9.534 1.00 0.00 C ATOM 572 O LYS A 38 0.955 -5.088 -9.246 1.00 0.00 O ATOM 573 CB LYS A 38 3.313 -7.314 -8.554 1.00 0.00 C ATOM 574 CG LYS A 38 3.989 -7.676 -7.232 1.00 0.00 C ATOM 575 CD LYS A 38 3.322 -8.862 -6.549 1.00 0.00 C ATOM 576 CE LYS A 38 4.041 -9.257 -5.269 1.00 0.00 C ATOM 577 NZ LYS A 38 5.330 -9.947 -5.542 1.00 0.00 N ATOM 0 H LYS A 38 1.714 -9.188 -9.063 1.00 0.00 H new ATOM 0 HA LYS A 38 1.543 -6.764 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.558 -8.075 -9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.727 -6.373 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.038 -7.907 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.964 -6.814 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.285 -8.614 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.304 -9.711 -7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.227 -8.367 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.398 -9.911 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.762 -10.244 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.157 -10.783 -6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.973 -9.297 -6.038 1.00 0.00 H new ATOM 591 N SER A 39 1.154 -6.750 -10.765 1.00 0.00 N ATOM 592 CA SER A 39 0.580 -6.012 -11.902 1.00 0.00 C ATOM 593 C SER A 39 1.268 -4.640 -12.118 1.00 0.00 C ATOM 594 O SER A 39 2.228 -4.305 -11.420 1.00 0.00 O ATOM 595 CB SER A 39 -0.948 -5.871 -11.716 1.00 0.00 C ATOM 596 OG SER A 39 -1.287 -5.124 -10.563 1.00 0.00 O ATOM 0 H SER A 39 1.464 -7.691 -11.006 1.00 0.00 H new ATOM 0 HA SER A 39 0.767 -6.585 -12.810 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.375 -5.389 -12.596 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.395 -6.863 -11.647 1.00 0.00 H new ATOM 0 HG SER A 39 -2.243 -5.230 -10.374 1.00 0.00 H new ATOM 602 N PRO A 40 0.836 -3.841 -13.123 1.00 0.00 N ATOM 603 CA PRO A 40 1.376 -2.493 -13.358 1.00 0.00 C ATOM 604 C PRO A 40 0.835 -1.451 -12.374 1.00 0.00 C ATOM 605 O PRO A 40 0.476 -0.340 -12.771 1.00 0.00 O ATOM 606 CB PRO A 40 0.912 -2.153 -14.786 1.00 0.00 C ATOM 607 CG PRO A 40 0.306 -3.402 -15.331 1.00 0.00 C ATOM 608 CD PRO A 40 -0.160 -4.187 -14.145 1.00 0.00 C ATOM 0 HA PRO A 40 2.458 -2.477 -13.225 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.187 -1.339 -14.777 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.750 -1.826 -15.401 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.525 -3.173 -15.998 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.035 -3.968 -15.912 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.168 -3.904 -13.842 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.177 -5.258 -14.349 1.00 0.00 H new ATOM 616 N ILE A 41 0.800 -1.798 -11.090 1.00 0.00 N ATOM 617 CA ILE A 41 0.316 -0.883 -10.059 1.00 0.00 C ATOM 618 C ILE A 41 1.187 0.369 -9.988 1.00 0.00 C ATOM 619 O ILE A 41 0.684 1.470 -9.765 1.00 0.00 O ATOM 620 CB ILE A 41 0.265 -1.558 -8.669 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.800 -2.652 -8.651 1.00 0.00 C ATOM 622 CG2 ILE A 41 -0.011 -0.536 -7.574 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.937 -3.354 -7.317 1.00 0.00 C ATOM 0 H ILE A 41 1.101 -2.707 -10.738 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.698 -0.599 -10.339 1.00 0.00 H new ATOM 0 HB ILE A 41 1.239 -2.008 -8.475 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.761 -2.214 -8.920 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.561 -3.391 -9.416 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.042 -1.038 -6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.780 0.214 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.969 -0.051 -7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.713 -4.117 -7.385 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.011 -3.823 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.208 -2.628 -6.550 1.00 0.00 H new ATOM 635 N ALA A 42 2.486 0.194 -10.212 1.00 0.00 N ATOM 636 CA ALA A 42 3.441 1.299 -10.149 1.00 0.00 C ATOM 637 C ALA A 42 3.048 2.428 -11.096 1.00 0.00 C ATOM 638 O ALA A 42 3.211 3.608 -10.776 1.00 0.00 O ATOM 639 CB ALA A 42 4.840 0.803 -10.476 1.00 0.00 C ATOM 0 H ALA A 42 2.905 -0.708 -10.440 1.00 0.00 H new ATOM 0 HA ALA A 42 3.430 1.694 -9.133 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.542 1.635 -10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.132 0.038 -9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.850 0.380 -11.480 1.00 0.00 H new ATOM 645 N GLU A 43 2.514 2.055 -12.254 1.00 0.00 N ATOM 646 CA GLU A 43 2.048 3.025 -13.240 1.00 0.00 C ATOM 647 C GLU A 43 0.910 3.862 -12.662 1.00 0.00 C ATOM 648 O GLU A 43 0.819 5.069 -12.888 1.00 0.00 O ATOM 649 CB GLU A 43 1.566 2.305 -14.501 1.00 0.00 C ATOM 650 CG GLU A 43 1.248 3.235 -15.659 1.00 0.00 C ATOM 651 CD GLU A 43 2.490 3.865 -16.251 1.00 0.00 C ATOM 652 OE1 GLU A 43 3.215 3.163 -16.984 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.746 5.062 -16.000 1.00 0.00 O ATOM 0 H GLU A 43 2.392 1.082 -12.534 1.00 0.00 H new ATOM 0 HA GLU A 43 2.878 3.682 -13.498 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.331 1.596 -14.817 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.675 1.726 -14.258 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.721 2.678 -16.434 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.574 4.020 -15.316 1.00 0.00 H new ATOM 660 N ILE A 44 0.046 3.218 -11.899 1.00 0.00 N ATOM 661 CA ILE A 44 -1.090 3.900 -11.314 1.00 0.00 C ATOM 662 C ILE A 44 -0.652 4.666 -10.067 1.00 0.00 C ATOM 663 O ILE A 44 -1.238 5.692 -9.714 1.00 0.00 O ATOM 664 CB ILE A 44 -2.224 2.914 -10.955 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.406 1.863 -12.061 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.527 3.673 -10.738 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.764 2.445 -13.413 1.00 0.00 C ATOM 0 H ILE A 44 0.110 2.226 -11.671 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.478 4.599 -12.055 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.951 2.399 -10.034 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.485 1.289 -12.157 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.187 1.165 -11.759 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.320 2.969 -10.485 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.401 4.386 -9.923 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.793 4.207 -11.650 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.875 1.639 -14.138 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.702 2.995 -13.336 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.973 3.120 -13.739 1.00 0.00 H new ATOM 679 N ILE A 45 0.401 4.174 -9.413 1.00 0.00 N ATOM 680 CA ILE A 45 0.957 4.842 -8.242 1.00 0.00 C ATOM 681 C ILE A 45 1.454 6.233 -8.610 1.00 0.00 C ATOM 682 O ILE A 45 1.150 7.211 -7.923 1.00 0.00 O ATOM 683 CB ILE A 45 2.121 4.046 -7.598 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.628 2.699 -7.070 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.759 4.851 -6.473 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.724 1.859 -6.447 1.00 0.00 C ATOM 0 H ILE A 45 0.884 3.315 -9.677 1.00 0.00 H new ATOM 0 HA ILE A 45 0.150 4.909 -7.512 1.00 0.00 H new ATOM 0 HB ILE A 45 2.873 3.862 -8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.847 2.871 -6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.173 2.141 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.574 4.277 -6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.149 5.788 -6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.011 5.065 -5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.304 0.917 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.494 1.656 -7.191 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.163 2.398 -5.608 1.00 0.00 H new ATOM 698 N ARG A 46 2.209 6.318 -9.700 1.00 0.00 N ATOM 699 CA ARG A 46 2.739 7.591 -10.160 1.00 0.00 C ATOM 700 C ARG A 46 1.616 8.523 -10.603 1.00 0.00 C ATOM 701 O ARG A 46 1.636 9.713 -10.292 1.00 0.00 O ATOM 702 CB ARG A 46 3.754 7.390 -11.287 1.00 0.00 C ATOM 703 CG ARG A 46 3.256 6.554 -12.449 1.00 0.00 C ATOM 704 CD ARG A 46 4.321 6.395 -13.520 1.00 0.00 C ATOM 705 NE ARG A 46 4.802 7.687 -13.999 1.00 0.00 N ATOM 706 CZ ARG A 46 4.836 8.050 -15.278 1.00 0.00 C ATOM 707 NH1 ARG A 46 4.382 7.231 -16.221 1.00 0.00 N ATOM 708 NH2 ARG A 46 5.308 9.242 -15.608 1.00 0.00 N ATOM 0 H ARG A 46 2.466 5.519 -10.280 1.00 0.00 H new ATOM 0 HA ARG A 46 3.255 8.058 -9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.056 8.367 -11.664 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.646 6.918 -10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.953 5.571 -12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.371 7.021 -12.881 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.157 5.821 -13.120 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.915 5.825 -14.356 1.00 0.00 H new ATOM 0 HE ARG A 46 5.135 8.357 -13.306 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.005 6.318 -15.966 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.411 7.515 -17.200 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.643 9.876 -14.883 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.337 9.526 -16.587 1.00 0.00 H new ATOM 722 N LYS A 47 0.624 7.976 -11.299 1.00 0.00 N ATOM 723 CA LYS A 47 -0.539 8.762 -11.696 1.00 0.00 C ATOM 724 C LYS A 47 -1.233 9.334 -10.468 1.00 0.00 C ATOM 725 O LYS A 47 -1.537 10.523 -10.408 1.00 0.00 O ATOM 726 CB LYS A 47 -1.532 7.919 -12.498 1.00 0.00 C ATOM 727 CG LYS A 47 -1.011 7.465 -13.850 1.00 0.00 C ATOM 728 CD LYS A 47 -2.106 6.784 -14.648 1.00 0.00 C ATOM 729 CE LYS A 47 -1.594 6.274 -15.983 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.686 5.680 -16.798 1.00 0.00 N ATOM 0 H LYS A 47 0.601 7.001 -11.597 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.188 9.577 -12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.803 7.041 -11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.444 8.496 -12.648 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.630 8.323 -14.405 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.176 6.779 -13.711 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.512 5.952 -14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.924 7.485 -14.816 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.133 7.094 -16.534 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.818 5.527 -15.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.300 5.342 -17.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.109 4.882 -16.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.414 6.400 -16.980 1.00 0.00 H new ATOM 744 N SER A 48 -1.444 8.483 -9.471 1.00 0.00 N ATOM 745 CA SER A 48 -2.105 8.891 -8.245 1.00 0.00 C ATOM 746 C SER A 48 -1.240 9.879 -7.473 1.00 0.00 C ATOM 747 O SER A 48 -1.745 10.689 -6.706 1.00 0.00 O ATOM 748 CB SER A 48 -2.399 7.674 -7.375 1.00 0.00 C ATOM 749 OG SER A 48 -3.148 6.703 -8.084 1.00 0.00 O ATOM 0 H SER A 48 -1.164 7.502 -9.492 1.00 0.00 H new ATOM 0 HA SER A 48 -3.044 9.378 -8.508 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.462 7.235 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.950 7.984 -6.487 1.00 0.00 H new ATOM 0 HG SER A 48 -2.574 6.270 -8.750 1.00 0.00 H new ATOM 755 N ASN A 49 0.069 9.807 -7.672 1.00 0.00 N ATOM 756 CA ASN A 49 0.993 10.710 -7.001 1.00 0.00 C ATOM 757 C ASN A 49 0.819 12.133 -7.511 1.00 0.00 C ATOM 758 O ASN A 49 0.975 13.096 -6.765 1.00 0.00 O ATOM 759 CB ASN A 49 2.438 10.252 -7.207 1.00 0.00 C ATOM 760 CG ASN A 49 3.449 11.263 -6.691 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.723 11.331 -5.494 1.00 0.00 O ATOM 762 ND2 ASN A 49 4.037 12.029 -7.594 1.00 0.00 N ATOM 0 H ASN A 49 0.515 9.132 -8.293 1.00 0.00 H new ATOM 0 HA ASN A 49 0.769 10.692 -5.934 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.590 9.300 -6.699 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.613 10.078 -8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.744 12.705 -7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.783 11.944 -8.578 1.00 0.00 H new ATOM 769 N ALA A 50 0.500 12.251 -8.786 1.00 0.00 N ATOM 770 CA ALA A 50 0.242 13.550 -9.389 1.00 0.00 C ATOM 771 C ALA A 50 -1.149 14.048 -9.013 1.00 0.00 C ATOM 772 O ALA A 50 -1.387 15.251 -8.912 1.00 0.00 O ATOM 773 CB ALA A 50 0.389 13.469 -10.900 1.00 0.00 C ATOM 0 H ALA A 50 0.413 11.463 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 50 0.975 14.261 -9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.193 14.448 -11.338 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.402 13.156 -11.151 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.323 12.745 -11.297 1.00 0.00 H new ATOM 779 N GLU A 51 -2.059 13.110 -8.796 1.00 0.00 N ATOM 780 CA GLU A 51 -3.445 13.438 -8.482 1.00 0.00 C ATOM 781 C GLU A 51 -3.634 13.818 -7.018 1.00 0.00 C ATOM 782 O GLU A 51 -4.470 14.667 -6.696 1.00 0.00 O ATOM 783 CB GLU A 51 -4.355 12.258 -8.815 1.00 0.00 C ATOM 784 CG GLU A 51 -4.402 11.925 -10.294 1.00 0.00 C ATOM 785 CD GLU A 51 -4.732 13.132 -11.143 1.00 0.00 C ATOM 786 OE1 GLU A 51 -5.866 13.648 -11.034 1.00 0.00 O ATOM 787 OE2 GLU A 51 -3.855 13.584 -11.909 1.00 0.00 O ATOM 0 H GLU A 51 -1.863 12.110 -8.832 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.711 14.302 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.015 11.381 -8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.365 12.480 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.439 11.518 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.147 11.148 -10.466 1.00 0.00 H new ATOM 794 N LEU A 52 -2.885 13.178 -6.134 1.00 0.00 N ATOM 795 CA LEU A 52 -3.058 13.389 -4.702 1.00 0.00 C ATOM 796 C LEU A 52 -1.725 13.404 -3.967 1.00 0.00 C ATOM 797 O LEU A 52 -0.671 13.171 -4.557 1.00 0.00 O ATOM 798 CB LEU A 52 -3.971 12.295 -4.119 1.00 0.00 C ATOM 799 CG LEU A 52 -3.531 10.841 -4.355 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.282 10.483 -3.566 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.648 9.897 -3.989 1.00 0.00 C ATOM 0 H LEU A 52 -2.154 12.510 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.522 14.366 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.055 12.457 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.969 12.423 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.293 10.744 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.010 9.446 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.463 11.137 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.476 10.609 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.327 8.870 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.905 10.027 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.522 10.111 -4.605 1.00 0.00 H new ATOM 813 N GLY A 53 -1.789 13.660 -2.669 1.00 0.00 N ATOM 814 CA GLY A 53 -0.618 13.551 -1.833 1.00 0.00 C ATOM 815 C GLY A 53 -0.883 12.704 -0.602 1.00 0.00 C ATOM 816 O GLY A 53 -0.352 11.603 -0.470 1.00 0.00 O ATOM 0 H GLY A 53 -2.638 13.943 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.199 13.113 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.295 14.546 -1.527 1.00 0.00 H new ATOM 820 N ARG A 54 -1.743 13.201 0.275 1.00 0.00 N ATOM 821 CA ARG A 54 -1.983 12.567 1.568 1.00 0.00 C ATOM 822 C ARG A 54 -3.176 11.603 1.519 1.00 0.00 C ATOM 823 O ARG A 54 -3.558 11.020 2.533 1.00 0.00 O ATOM 824 CB ARG A 54 -2.213 13.663 2.616 1.00 0.00 C ATOM 825 CG ARG A 54 -2.180 13.181 4.057 1.00 0.00 C ATOM 826 CD ARG A 54 -0.907 12.406 4.359 1.00 0.00 C ATOM 827 NE ARG A 54 -0.416 12.662 5.714 1.00 0.00 N ATOM 828 CZ ARG A 54 -0.917 12.114 6.822 1.00 0.00 C ATOM 829 NH1 ARG A 54 -1.976 11.316 6.764 1.00 0.00 N ATOM 830 NH2 ARG A 54 -0.365 12.391 7.997 1.00 0.00 N ATOM 0 H ARG A 54 -2.290 14.047 0.115 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.110 11.971 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.454 14.434 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.179 14.132 2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.254 14.036 4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.046 12.548 4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.095 11.339 4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.137 12.679 3.637 1.00 0.00 H new ATOM 0 HE ARG A 54 0.367 13.307 5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.415 11.116 5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.350 10.903 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.437 13.019 8.048 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.743 11.976 8.849 1.00 0.00 H new ATOM 844 N LEU A 55 -3.760 11.430 0.343 1.00 0.00 N ATOM 845 CA LEU A 55 -4.916 10.548 0.196 1.00 0.00 C ATOM 846 C LEU A 55 -4.518 9.241 -0.484 1.00 0.00 C ATOM 847 O LEU A 55 -3.398 9.108 -0.979 1.00 0.00 O ATOM 848 CB LEU A 55 -6.041 11.221 -0.605 1.00 0.00 C ATOM 849 CG LEU A 55 -6.728 12.424 0.060 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.146 12.095 1.486 1.00 0.00 C ATOM 851 CD2 LEU A 55 -5.836 13.658 0.031 1.00 0.00 C ATOM 0 H LEU A 55 -3.458 11.883 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.286 10.334 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.632 11.547 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.801 10.471 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.627 12.648 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.630 12.964 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.843 11.257 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.266 11.829 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.352 14.491 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.909 13.450 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.608 13.918 -1.003 1.00 0.00 H new ATOM 863 N GLY A 56 -5.437 8.282 -0.500 1.00 0.00 N ATOM 864 CA GLY A 56 -5.173 7.011 -1.140 1.00 0.00 C ATOM 865 C GLY A 56 -6.131 6.727 -2.275 1.00 0.00 C ATOM 866 O GLY A 56 -7.305 6.430 -2.047 1.00 0.00 O ATOM 0 H GLY A 56 -6.362 8.365 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.151 7.004 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.243 6.213 -0.400 1.00 0.00 H new ATOM 870 N TYR A 57 -5.627 6.817 -3.495 1.00 0.00 N ATOM 871 CA TYR A 57 -6.439 6.612 -4.688 1.00 0.00 C ATOM 872 C TYR A 57 -6.502 5.131 -5.027 1.00 0.00 C ATOM 873 O TYR A 57 -5.502 4.423 -4.908 1.00 0.00 O ATOM 874 CB TYR A 57 -5.839 7.394 -5.860 1.00 0.00 C ATOM 875 CG TYR A 57 -6.698 7.440 -7.101 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.850 8.216 -7.140 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.349 6.725 -8.238 1.00 0.00 C ATOM 878 CE1 TYR A 57 -8.630 8.276 -8.277 1.00 0.00 C ATOM 879 CE2 TYR A 57 -7.119 6.784 -9.382 1.00 0.00 C ATOM 880 CZ TYR A 57 -8.261 7.561 -9.396 1.00 0.00 C ATOM 881 OH TYR A 57 -9.032 7.628 -10.535 1.00 0.00 O ATOM 0 H TYR A 57 -4.649 7.033 -3.688 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.450 6.972 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.643 8.415 -5.534 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.877 6.952 -6.118 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.140 8.781 -6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.460 6.112 -8.228 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.525 8.880 -8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.830 6.226 -10.261 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.634 7.067 -11.233 1.00 0.00 H new ATOM 891 N SER A 58 -7.676 4.663 -5.425 1.00 0.00 N ATOM 892 CA SER A 58 -7.854 3.270 -5.800 1.00 0.00 C ATOM 893 C SER A 58 -7.078 2.962 -7.080 1.00 0.00 C ATOM 894 O SER A 58 -7.430 3.430 -8.165 1.00 0.00 O ATOM 895 CB SER A 58 -9.344 2.978 -5.989 1.00 0.00 C ATOM 896 OG SER A 58 -10.088 3.422 -4.865 1.00 0.00 O ATOM 0 H SER A 58 -8.521 5.230 -5.496 1.00 0.00 H new ATOM 0 HA SER A 58 -7.466 2.631 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.706 3.474 -6.890 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.495 1.908 -6.132 1.00 0.00 H new ATOM 0 HG SER A 58 -11.038 3.228 -5.004 1.00 0.00 H new ATOM 902 N VAL A 59 -6.015 2.181 -6.944 1.00 0.00 N ATOM 903 CA VAL A 59 -5.154 1.859 -8.074 1.00 0.00 C ATOM 904 C VAL A 59 -5.434 0.459 -8.610 1.00 0.00 C ATOM 905 O VAL A 59 -5.404 0.227 -9.819 1.00 0.00 O ATOM 906 CB VAL A 59 -3.658 1.986 -7.695 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.343 3.402 -7.254 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.273 0.998 -6.604 1.00 0.00 C ATOM 0 H VAL A 59 -5.728 1.758 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.379 2.581 -8.859 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.070 1.751 -8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.288 3.475 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.563 4.094 -8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.952 3.657 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.216 1.115 -6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.871 1.188 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.455 -0.018 -6.953 1.00 0.00 H new ATOM 918 N TYR A 60 -5.723 -0.471 -7.714 1.00 0.00 N ATOM 919 CA TYR A 60 -5.957 -1.849 -8.108 1.00 0.00 C ATOM 920 C TYR A 60 -7.243 -2.367 -7.486 1.00 0.00 C ATOM 921 O TYR A 60 -7.300 -2.609 -6.285 1.00 0.00 O ATOM 922 CB TYR A 60 -4.775 -2.726 -7.690 1.00 0.00 C ATOM 923 CG TYR A 60 -4.920 -4.183 -8.082 1.00 0.00 C ATOM 924 CD1 TYR A 60 -4.521 -4.626 -9.336 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.456 -5.111 -7.198 1.00 0.00 C ATOM 926 CE1 TYR A 60 -4.652 -5.953 -9.699 1.00 0.00 C ATOM 927 CE2 TYR A 60 -5.592 -6.441 -7.553 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.188 -6.857 -8.805 1.00 0.00 C ATOM 929 OH TYR A 60 -5.318 -8.180 -9.166 1.00 0.00 O ATOM 0 H TYR A 60 -5.801 -0.297 -6.712 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.056 -1.889 -9.193 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.864 -2.329 -8.138 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.652 -2.662 -6.609 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.101 -3.922 -10.039 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.772 -4.789 -6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.336 -6.281 -10.678 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.012 -7.150 -6.854 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.711 -8.685 -8.424 1.00 0.00 H new ATOM 939 N GLU A 61 -8.276 -2.522 -8.292 1.00 0.00 N ATOM 940 CA GLU A 61 -9.526 -3.065 -7.796 1.00 0.00 C ATOM 941 C GLU A 61 -9.726 -4.497 -8.269 1.00 0.00 C ATOM 942 O GLU A 61 -9.519 -4.823 -9.442 1.00 0.00 O ATOM 943 CB GLU A 61 -10.722 -2.199 -8.209 1.00 0.00 C ATOM 944 CG GLU A 61 -12.056 -2.782 -7.761 1.00 0.00 C ATOM 945 CD GLU A 61 -13.214 -1.818 -7.904 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.540 -1.427 -9.044 1.00 0.00 O ATOM 947 OE2 GLU A 61 -13.808 -1.448 -6.872 1.00 0.00 O ATOM 0 H GLU A 61 -8.276 -2.282 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.467 -3.063 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.606 -1.202 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.726 -2.086 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.266 -3.679 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.977 -3.091 -6.719 1.00 0.00 H new ATOM 954 N ASP A 62 -10.095 -5.345 -7.330 1.00 0.00 N ATOM 955 CA ASP A 62 -10.475 -6.713 -7.615 1.00 0.00 C ATOM 956 C ASP A 62 -11.822 -6.966 -6.954 1.00 0.00 C ATOM 957 O ASP A 62 -12.263 -6.159 -6.134 1.00 0.00 O ATOM 958 CB ASP A 62 -9.411 -7.686 -7.079 1.00 0.00 C ATOM 959 CG ASP A 62 -9.693 -9.133 -7.437 1.00 0.00 C ATOM 960 OD1 ASP A 62 -9.354 -9.547 -8.563 1.00 0.00 O ATOM 961 OD2 ASP A 62 -10.251 -9.862 -6.590 1.00 0.00 O ATOM 0 H ASP A 62 -10.140 -5.102 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.551 -6.873 -8.691 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.436 -7.403 -7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.354 -7.591 -5.995 1.00 0.00 H new ATOM 966 N ALA A 63 -12.482 -8.055 -7.308 1.00 0.00 N ATOM 967 CA ALA A 63 -13.759 -8.398 -6.696 1.00 0.00 C ATOM 968 C ALA A 63 -13.598 -8.640 -5.198 1.00 0.00 C ATOM 969 O ALA A 63 -14.560 -8.559 -4.434 1.00 0.00 O ATOM 970 CB ALA A 63 -14.358 -9.622 -7.370 1.00 0.00 C ATOM 0 H ALA A 63 -12.158 -8.717 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.438 -7.557 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.312 -9.865 -6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.516 -9.414 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.676 -10.466 -7.264 1.00 0.00 H new ATOM 976 N GLN A 64 -12.375 -8.934 -4.784 1.00 0.00 N ATOM 977 CA GLN A 64 -12.082 -9.198 -3.386 1.00 0.00 C ATOM 978 C GLN A 64 -11.622 -7.929 -2.665 1.00 0.00 C ATOM 979 O GLN A 64 -12.265 -7.475 -1.719 1.00 0.00 O ATOM 980 CB GLN A 64 -10.997 -10.266 -3.276 1.00 0.00 C ATOM 981 CG GLN A 64 -11.275 -11.512 -4.095 1.00 0.00 C ATOM 982 CD GLN A 64 -10.079 -12.437 -4.149 1.00 0.00 C ATOM 983 OE1 GLN A 64 -9.945 -13.348 -3.333 1.00 0.00 O ATOM 984 NE2 GLN A 64 -9.184 -12.188 -5.094 1.00 0.00 N ATOM 0 H GLN A 64 -11.566 -8.996 -5.402 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.998 -9.550 -2.912 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.046 -9.838 -3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.884 -10.549 -2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.125 -12.044 -3.668 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.556 -11.224 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.335 -11.422 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.344 -12.762 -5.165 1.00 0.00 H new ATOM 993 N TYR A 65 -10.508 -7.358 -3.121 1.00 0.00 N ATOM 994 CA TYR A 65 -9.874 -6.247 -2.411 1.00 0.00 C ATOM 995 C TYR A 65 -9.584 -5.077 -3.351 1.00 0.00 C ATOM 996 O TYR A 65 -9.633 -5.223 -4.572 1.00 0.00 O ATOM 997 CB TYR A 65 -8.566 -6.716 -1.755 1.00 0.00 C ATOM 998 CG TYR A 65 -8.717 -7.960 -0.904 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.156 -7.877 0.409 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.426 -9.219 -1.418 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.307 -9.008 1.187 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.572 -10.356 -0.646 1.00 0.00 C ATOM 1003 CZ TYR A 65 -9.013 -10.245 0.655 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.162 -11.376 1.427 1.00 0.00 O ATOM 0 H TYR A 65 -10.028 -7.644 -3.974 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.567 -5.906 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.829 -6.908 -2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.172 -5.910 -1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.384 -6.909 0.831 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.080 -9.310 -2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.653 -8.924 2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.342 -11.327 -1.060 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.914 -12.165 0.902 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.288 -3.919 -2.768 1.00 0.00 N ATOM 1015 CA ILE A 66 -8.948 -2.725 -3.529 1.00 0.00 C ATOM 1016 C ILE A 66 -7.678 -2.088 -2.974 1.00 0.00 C ATOM 1017 O ILE A 66 -7.588 -1.795 -1.781 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.079 -1.674 -3.488 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.379 -2.252 -4.041 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.678 -0.431 -4.272 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.557 -1.310 -3.923 1.00 0.00 C ATOM 0 H ILE A 66 -9.278 -3.784 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.797 -3.040 -4.562 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.245 -1.394 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.235 -2.511 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.610 -3.177 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.486 0.300 -4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.777 0.000 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.484 -0.702 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.446 -1.786 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.727 -1.070 -2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.347 -0.394 -4.475 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.708 -1.880 -3.842 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.473 -1.241 -3.443 1.00 0.00 C ATOM 1035 C GLY A 67 -5.525 0.260 -3.633 1.00 0.00 C ATOM 1036 O GLY A 67 -6.033 0.745 -4.642 1.00 0.00 O ATOM 0 H GLY A 67 -6.752 -2.144 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.269 -1.467 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.648 -1.652 -4.025 1.00 0.00 H new ATOM 1040 N HIS A 68 -5.006 0.996 -2.662 1.00 0.00 N ATOM 1041 CA HIS A 68 -5.004 2.455 -2.705 1.00 0.00 C ATOM 1042 C HIS A 68 -3.578 2.975 -2.569 1.00 0.00 C ATOM 1043 O HIS A 68 -2.872 2.604 -1.633 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.865 3.038 -1.573 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.265 2.497 -1.508 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.339 3.089 -2.137 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.762 1.410 -0.866 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.433 2.392 -1.886 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -9.110 1.368 -1.118 1.00 0.00 N ATOM 0 H HIS A 68 -4.576 0.604 -1.825 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.423 2.767 -3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.370 2.844 -0.621 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.913 4.120 -1.692 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.296 3.934 -2.707 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.201 0.708 -0.267 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.424 2.621 -2.248 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.151 3.823 -3.497 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.791 4.355 -3.463 1.00 0.00 C ATOM 1060 C ALA A 69 -1.679 5.547 -2.528 1.00 0.00 C ATOM 1061 O ALA A 69 -2.363 6.557 -2.707 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.337 4.772 -4.853 1.00 0.00 C ATOM 0 H ALA A 69 -3.719 4.156 -4.276 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.148 3.556 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.322 5.165 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.359 3.908 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.005 5.543 -5.238 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.773 5.442 -1.569 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.510 6.521 -0.635 1.00 0.00 C ATOM 1070 C PHE A 70 0.905 7.034 -0.795 1.00 0.00 C ATOM 1071 O PHE A 70 1.835 6.262 -1.042 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.718 6.054 0.804 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.157 5.902 1.181 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.839 4.729 0.914 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.829 6.939 1.802 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.164 4.591 1.261 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.155 6.807 2.152 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.823 5.632 1.882 1.00 0.00 C ATOM 0 H PHE A 70 -0.203 4.610 -1.418 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.210 7.327 -0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.211 5.099 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.247 6.767 1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.326 3.912 0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.309 7.861 2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.686 3.670 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.670 7.623 2.637 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.862 5.526 2.157 1.00 0.00 H new ATOM 1088 N LYS A 71 1.057 8.340 -0.690 1.00 0.00 N ATOM 1089 CA LYS A 71 2.375 8.945 -0.675 1.00 0.00 C ATOM 1090 C LYS A 71 2.933 8.923 0.739 1.00 0.00 C ATOM 1091 O LYS A 71 2.338 9.476 1.667 1.00 0.00 O ATOM 1092 CB LYS A 71 2.336 10.379 -1.203 1.00 0.00 C ATOM 1093 CG LYS A 71 2.471 10.503 -2.715 1.00 0.00 C ATOM 1094 CD LYS A 71 1.197 10.108 -3.452 1.00 0.00 C ATOM 1095 CE LYS A 71 1.175 8.629 -3.807 1.00 0.00 C ATOM 1096 NZ LYS A 71 -0.124 8.224 -4.408 1.00 0.00 N ATOM 0 H LYS A 71 0.285 9.002 -0.614 1.00 0.00 H new ATOM 0 HA LYS A 71 3.024 8.366 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.397 10.839 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.138 10.947 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.730 11.531 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.293 9.874 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.332 10.344 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.107 10.700 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.982 8.411 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.361 8.037 -2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.025 7.415 -5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.786 7.953 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.521 9.020 -4.947 1.00 0.00 H new ATOM 1110 N LYS A 72 4.066 8.270 0.896 1.00 0.00 N ATOM 1111 CA LYS A 72 4.673 8.094 2.204 1.00 0.00 C ATOM 1112 C LYS A 72 6.015 8.811 2.243 1.00 0.00 C ATOM 1113 O LYS A 72 6.434 9.397 1.248 1.00 0.00 O ATOM 1114 CB LYS A 72 4.857 6.602 2.505 1.00 0.00 C ATOM 1115 CG LYS A 72 3.578 5.784 2.370 1.00 0.00 C ATOM 1116 CD LYS A 72 2.552 6.135 3.437 1.00 0.00 C ATOM 1117 CE LYS A 72 3.034 5.744 4.827 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.025 6.054 5.874 1.00 0.00 N ATOM 0 H LYS A 72 4.590 7.849 0.129 1.00 0.00 H new ATOM 0 HA LYS A 72 4.019 8.521 2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.610 6.195 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.243 6.490 3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.145 5.951 1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.819 4.723 2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.349 7.206 3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.612 5.627 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.260 4.678 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.962 6.271 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.393 5.772 6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.828 7.075 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.148 5.532 5.676 1.00 0.00 H new ATOM 1132 N ALA A 73 6.684 8.754 3.386 1.00 0.00 N ATOM 1133 CA ALA A 73 7.975 9.412 3.552 1.00 0.00 C ATOM 1134 C ALA A 73 9.018 8.834 2.601 1.00 0.00 C ATOM 1135 O ALA A 73 9.621 7.796 2.878 1.00 0.00 O ATOM 1136 CB ALA A 73 8.449 9.290 4.989 1.00 0.00 C ATOM 0 H ALA A 73 6.354 8.258 4.214 1.00 0.00 H new ATOM 0 HA ALA A 73 7.846 10.467 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.414 9.786 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.723 9.760 5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.551 8.237 5.250 1.00 0.00 H new ATOM 1142 N GLY A 74 9.190 9.492 1.460 1.00 0.00 N ATOM 1143 CA GLY A 74 10.193 9.082 0.495 1.00 0.00 C ATOM 1144 C GLY A 74 9.829 7.808 -0.242 1.00 0.00 C ATOM 1145 O GLY A 74 10.617 7.303 -1.038 1.00 0.00 O ATOM 0 H GLY A 74 8.647 10.310 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.340 9.883 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.144 8.938 1.008 1.00 0.00 H new ATOM 1149 N HIS A 75 8.632 7.293 0.006 1.00 0.00 N ATOM 1150 CA HIS A 75 8.213 6.018 -0.561 1.00 0.00 C ATOM 1151 C HIS A 75 6.747 6.057 -0.976 1.00 0.00 C ATOM 1152 O HIS A 75 6.035 7.017 -0.686 1.00 0.00 O ATOM 1153 CB HIS A 75 8.444 4.881 0.443 1.00 0.00 C ATOM 1154 CG HIS A 75 9.874 4.431 0.544 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.853 4.369 -0.392 1.00 0.00 N flip ATOM 1156 CD2 HIS A 75 10.438 3.960 1.709 1.00 0.00 C flip ATOM 1157 CE1 HIS A 75 11.973 3.867 0.220 1.00 0.00 C flip ATOM 1158 NE2 HIS A 75 11.696 3.627 1.486 1.00 0.00 N flip ATOM 0 H HIS A 75 7.932 7.740 0.598 1.00 0.00 H new ATOM 0 HA HIS A 75 8.817 5.834 -1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.107 5.206 1.427 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.826 4.029 0.159 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.930 3.876 2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.926 3.696 -0.258 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.344 3.248 2.177 1.00 0.00 H new ATOM 1167 N PHE A 76 6.304 5.009 -1.651 1.00 0.00 N ATOM 1168 CA PHE A 76 4.930 4.917 -2.122 1.00 0.00 C ATOM 1169 C PHE A 76 4.337 3.579 -1.719 1.00 0.00 C ATOM 1170 O PHE A 76 4.813 2.541 -2.150 1.00 0.00 O ATOM 1171 CB PHE A 76 4.882 5.056 -3.643 1.00 0.00 C ATOM 1172 CG PHE A 76 5.403 6.369 -4.151 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.623 7.508 -4.081 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.670 6.459 -4.704 1.00 0.00 C ATOM 1175 CE1 PHE A 76 5.097 8.715 -4.552 1.00 0.00 C ATOM 1176 CE2 PHE A 76 7.149 7.664 -5.177 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.361 8.793 -5.101 1.00 0.00 C ATOM 0 H PHE A 76 6.882 4.202 -1.887 1.00 0.00 H new ATOM 0 HA PHE A 76 4.351 5.723 -1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.462 4.249 -4.090 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.852 4.931 -3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.633 7.453 -3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.290 5.577 -4.766 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.479 9.599 -4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.139 7.722 -5.606 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.732 9.737 -5.471 1.00 0.00 H new ATOM 1187 N ILE A 77 3.303 3.589 -0.903 1.00 0.00 N ATOM 1188 CA ILE A 77 2.744 2.341 -0.413 1.00 0.00 C ATOM 1189 C ILE A 77 1.288 2.193 -0.830 1.00 0.00 C ATOM 1190 O ILE A 77 0.502 3.137 -0.739 1.00 0.00 O ATOM 1191 CB ILE A 77 2.874 2.221 1.121 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.340 2.372 1.535 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.323 0.883 1.603 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.569 2.264 3.028 1.00 0.00 C ATOM 0 H ILE A 77 2.837 4.432 -0.568 1.00 0.00 H new ATOM 0 HA ILE A 77 3.320 1.533 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 77 2.292 3.018 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.931 1.608 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.707 3.338 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.423 0.817 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.271 0.804 1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.881 0.071 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.631 2.381 3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.007 3.045 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.234 1.288 3.378 1.00 0.00 H new ATOM 1206 N VAL A 78 0.949 1.008 -1.306 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.408 0.704 -1.725 1.00 0.00 C ATOM 1208 C VAL A 78 -1.096 -0.166 -0.684 1.00 0.00 C ATOM 1209 O VAL A 78 -0.731 -1.325 -0.492 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.425 -0.020 -3.086 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.848 -0.343 -3.512 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.271 0.820 -4.141 1.00 0.00 C ATOM 0 H VAL A 78 1.603 0.233 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.943 1.648 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 78 0.116 -0.960 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.833 -0.853 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.313 -0.988 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.420 0.581 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.250 0.295 -5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.242 1.776 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.305 0.993 -3.844 1.00 0.00 H new ATOM 1222 N TYR A 79 -2.077 0.403 -0.005 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.813 -0.309 1.021 1.00 0.00 C ATOM 1224 C TYR A 79 -4.042 -0.981 0.419 1.00 0.00 C ATOM 1225 O TYR A 79 -4.877 -0.324 -0.204 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.222 0.655 2.133 1.00 0.00 C ATOM 1227 CG TYR A 79 -2.058 1.204 2.934 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.214 2.169 2.397 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.803 0.763 4.228 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.155 2.677 3.121 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.742 1.268 4.960 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.079 2.224 4.401 1.00 0.00 C ATOM 1233 OH TYR A 79 1.132 2.736 5.127 1.00 0.00 O ATOM 0 H TYR A 79 -2.383 1.365 -0.149 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.171 -1.081 1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.772 1.487 1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.906 0.143 2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.391 2.528 1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.444 0.014 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.488 3.427 2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.558 0.915 5.964 1.00 0.00 H new ATOM 0 HH TYR A 79 1.158 2.312 6.010 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.132 -2.290 0.596 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.226 -3.076 0.057 1.00 0.00 C ATOM 1245 C PHE A 80 -6.308 -3.286 1.103 1.00 0.00 C ATOM 1246 O PHE A 80 -6.068 -3.892 2.147 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.712 -4.432 -0.425 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.870 -4.363 -1.667 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.516 -4.089 -1.591 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.438 -4.578 -2.911 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.743 -4.030 -2.734 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.670 -4.520 -4.059 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.321 -4.246 -3.969 1.00 0.00 C ATOM 0 H PHE A 80 -3.447 -2.836 1.118 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.653 -2.530 -0.784 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.127 -4.891 0.372 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.564 -5.086 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.059 -3.919 -0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.494 -4.794 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.687 -3.815 -2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.125 -4.689 -5.024 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.718 -4.201 -4.864 1.00 0.00 H new ATOM 1263 N THR A 81 -7.492 -2.782 0.820 1.00 0.00 N ATOM 1264 CA THR A 81 -8.624 -2.940 1.711 1.00 0.00 C ATOM 1265 C THR A 81 -9.613 -3.944 1.121 1.00 0.00 C ATOM 1266 O THR A 81 -9.637 -4.140 -0.091 1.00 0.00 O ATOM 1267 CB THR A 81 -9.326 -1.587 1.945 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.709 -1.004 0.689 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.413 -0.626 2.686 1.00 0.00 C ATOM 0 H THR A 81 -7.696 -2.254 -0.029 1.00 0.00 H new ATOM 0 HA THR A 81 -8.261 -3.312 2.669 1.00 0.00 H new ATOM 0 HB THR A 81 -10.214 -1.768 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.304 -0.116 0.604 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.930 0.321 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.143 -1.053 3.652 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.510 -0.456 2.099 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.429 -4.606 1.959 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.445 -5.566 1.490 1.00 0.00 C ATOM 1279 C PRO A 82 -12.632 -4.875 0.811 1.00 0.00 C ATOM 1280 O PRO A 82 -13.787 -5.128 1.157 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.892 -6.254 2.783 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.642 -5.253 3.854 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.418 -4.488 3.429 1.00 0.00 C ATOM 0 HA PRO A 82 -11.050 -6.249 0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.945 -6.531 2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.328 -7.170 2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.497 -4.587 3.973 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.483 -5.742 4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.465 -3.447 3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.511 -4.912 3.859 1.00 0.00 H new