USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 445 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 43 LYS NZ :NH3+ -175:sc= -2.23! (180deg=-2.66!) USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= 0.117 F(o=-3.1,f=-2.1) USER MOD Set 2.1: A 35 ASN :FLIP amide:sc= 1.01 F(o=0.34,f=2) USER MOD Set 2.2: A 37 THR OG1 : rot -58:sc= 0.956 USER MOD Set 3.1: A 15 TYR OH : rot 180:sc= 0.00235 USER MOD Set 3.2: A 18 LYS NZ :NH3+ 146:sc=0.000828 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 173:sc= -1.76 (180deg=-1.85) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0778) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0202 (180deg=-0.204) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -4.838 -7.831 -7.010 1.00 0.00 N ATOM 89 CA GLU A 7 -6.088 -7.380 -6.410 1.00 0.00 C ATOM 90 C GLU A 7 -7.144 -8.481 -6.458 1.00 0.00 C ATOM 91 O GLU A 7 -6.850 -9.622 -6.815 1.00 0.00 O ATOM 92 CB GLU A 7 -6.603 -6.131 -7.129 1.00 0.00 C ATOM 93 CG GLU A 7 -5.586 -5.005 -7.197 1.00 0.00 C ATOM 94 CD GLU A 7 -5.957 -3.945 -8.217 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.013 -4.091 -8.867 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.191 -2.970 -8.363 1.00 0.00 O ATOM 0 HA GLU A 7 -5.892 -7.135 -5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.901 -6.402 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.497 -5.771 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.495 -4.542 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.608 -5.418 -7.446 1.00 0.00 H new ATOM 103 N LEU A 8 -8.373 -8.130 -6.096 1.00 0.00 N ATOM 104 CA LEU A 8 -9.473 -9.087 -6.098 1.00 0.00 C ATOM 105 C LEU A 8 -10.632 -8.583 -6.952 1.00 0.00 C ATOM 106 O LEU A 8 -10.915 -7.386 -6.989 1.00 0.00 O ATOM 107 CB LEU A 8 -9.953 -9.345 -4.668 1.00 0.00 C ATOM 108 CG LEU A 8 -9.082 -10.279 -3.826 1.00 0.00 C ATOM 109 CD1 LEU A 8 -8.059 -9.482 -3.032 1.00 0.00 C ATOM 110 CD2 LEU A 8 -9.945 -11.119 -2.897 1.00 0.00 C ATOM 0 H LEU A 8 -8.632 -7.190 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.109 -10.021 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.027 -8.387 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.959 -9.762 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.547 -10.950 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.448 -10.163 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.420 -8.925 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.574 -8.786 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.309 -11.778 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.507 -10.464 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.638 -11.718 -3.487 1.00 0.00 H new ATOM 122 N VAL A 9 -11.301 -9.506 -7.636 1.00 0.00 N ATOM 123 CA VAL A 9 -12.432 -9.156 -8.487 1.00 0.00 C ATOM 124 C VAL A 9 -13.706 -9.851 -8.022 1.00 0.00 C ATOM 125 O VAL A 9 -13.691 -11.034 -7.677 1.00 0.00 O ATOM 126 CB VAL A 9 -12.164 -9.528 -9.957 1.00 0.00 C ATOM 127 CG1 VAL A 9 -10.888 -8.865 -10.453 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.088 -11.039 -10.118 1.00 0.00 C ATOM 0 H VAL A 9 -11.079 -10.501 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.563 -8.077 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.993 -9.162 -10.563 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.716 -9.140 -11.494 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.987 -7.782 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.046 -9.197 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.898 -11.284 -11.163 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.280 -11.430 -9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.032 -11.486 -9.806 1.00 0.00 H new ATOM 138 N LEU A 10 -14.809 -9.111 -8.014 1.00 0.00 N ATOM 139 CA LEU A 10 -16.094 -9.656 -7.592 1.00 0.00 C ATOM 140 C LEU A 10 -16.890 -10.167 -8.789 1.00 0.00 C ATOM 141 O LEU A 10 -16.958 -9.509 -9.827 1.00 0.00 O ATOM 142 CB LEU A 10 -16.901 -8.593 -6.845 1.00 0.00 C ATOM 143 CG LEU A 10 -18.392 -8.883 -6.668 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.597 -10.114 -5.798 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.102 -7.679 -6.066 1.00 0.00 C ATOM 0 H LEU A 10 -14.839 -8.131 -8.295 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.902 -10.495 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.458 -8.456 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -16.796 -7.647 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.823 -9.081 -7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.664 -10.305 -5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.123 -10.975 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.151 -9.945 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.162 -7.904 -5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.668 -7.450 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -18.985 -6.820 -6.726 1.00 0.00 H new ATOM 157 N ALA A 11 -17.491 -11.342 -8.636 1.00 0.00 N ATOM 158 CA ALA A 11 -18.285 -11.938 -9.702 1.00 0.00 C ATOM 159 C ALA A 11 -19.695 -11.356 -9.729 1.00 0.00 C ATOM 160 O ALA A 11 -20.393 -11.348 -8.714 1.00 0.00 O ATOM 161 CB ALA A 11 -18.340 -13.450 -9.538 1.00 0.00 C ATOM 0 H ALA A 11 -17.443 -11.900 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.805 -11.703 -10.652 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.937 -13.882 -10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.330 -13.857 -9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.793 -13.696 -8.578 1.00 0.00 H new ATOM 167 N LEU A 12 -20.107 -10.870 -10.894 1.00 0.00 N ATOM 168 CA LEU A 12 -21.433 -10.284 -11.053 1.00 0.00 C ATOM 169 C LEU A 12 -22.505 -11.368 -11.096 1.00 0.00 C ATOM 170 O LEU A 12 -23.359 -11.447 -10.212 1.00 0.00 O ATOM 171 CB LEU A 12 -21.492 -9.442 -12.328 1.00 0.00 C ATOM 172 CG LEU A 12 -20.502 -8.279 -12.411 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.651 -7.545 -13.734 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.702 -7.325 -11.243 1.00 0.00 C ATOM 0 H LEU A 12 -19.542 -10.870 -11.743 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.625 -9.642 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.323 -10.099 -13.181 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.501 -9.042 -12.429 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.491 -8.682 -12.355 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.939 -6.721 -13.775 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.457 -8.234 -14.556 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.664 -7.153 -13.821 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.989 -6.504 -11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.717 -6.928 -11.267 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.543 -7.859 -10.306 1.00 0.00 H new ATOM 186 N TYR A 13 -22.454 -12.202 -12.128 1.00 0.00 N ATOM 187 CA TYR A 13 -23.421 -13.283 -12.287 1.00 0.00 C ATOM 188 C TYR A 13 -22.723 -14.639 -12.315 1.00 0.00 C ATOM 189 O TYR A 13 -21.517 -14.724 -12.549 1.00 0.00 O ATOM 190 CB TYR A 13 -24.230 -13.087 -13.570 1.00 0.00 C ATOM 191 CG TYR A 13 -24.680 -11.660 -13.790 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.691 -11.102 -13.017 1.00 0.00 C ATOM 193 CD2 TYR A 13 -24.093 -10.869 -14.770 1.00 0.00 C ATOM 194 CE1 TYR A 13 -26.106 -9.800 -13.216 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.501 -9.565 -14.975 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.508 -9.035 -14.195 1.00 0.00 C ATOM 197 OH TYR A 13 -25.917 -7.737 -14.395 1.00 0.00 O ATOM 0 H TYR A 13 -21.753 -12.151 -12.868 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.097 -13.260 -11.432 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.628 -13.405 -14.421 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -25.106 -13.735 -13.540 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -26.160 -11.697 -12.247 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.304 -11.281 -15.382 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -26.895 -9.383 -12.608 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -24.034 -8.964 -15.741 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.394 -7.337 -15.121 1.00 0.00 H new ATOM 207 N ASP A 14 -23.490 -15.697 -12.075 1.00 0.00 N ATOM 208 CA ASP A 14 -22.947 -17.050 -12.074 1.00 0.00 C ATOM 209 C ASP A 14 -22.537 -17.472 -13.482 1.00 0.00 C ATOM 210 O ASP A 14 -23.217 -17.156 -14.458 1.00 0.00 O ATOM 211 CB ASP A 14 -23.974 -18.034 -11.513 1.00 0.00 C ATOM 212 CG ASP A 14 -25.123 -18.282 -12.471 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.945 -17.362 -12.661 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.200 -19.396 -13.030 1.00 0.00 O ATOM 0 H ASP A 14 -24.490 -15.644 -11.879 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.061 -17.059 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.481 -18.980 -11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.366 -17.648 -10.572 1.00 0.00 H new ATOM 219 N TYR A 15 -21.420 -18.185 -13.578 1.00 0.00 N ATOM 220 CA TYR A 15 -20.918 -18.648 -14.866 1.00 0.00 C ATOM 221 C TYR A 15 -20.382 -20.072 -14.763 1.00 0.00 C ATOM 222 O TYR A 15 -20.232 -20.612 -13.667 1.00 0.00 O ATOM 223 CB TYR A 15 -19.818 -17.713 -15.373 1.00 0.00 C ATOM 224 CG TYR A 15 -19.672 -17.710 -16.878 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.653 -17.154 -17.690 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.554 -18.265 -17.488 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.524 -17.150 -19.066 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.416 -18.264 -18.863 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.403 -17.706 -19.647 1.00 0.00 C ATOM 230 OH TYR A 15 -19.270 -17.704 -21.017 1.00 0.00 O ATOM 0 H TYR A 15 -20.845 -18.455 -12.780 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.747 -18.642 -15.574 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.031 -16.699 -15.035 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.869 -18.006 -14.925 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.531 -16.717 -17.238 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.779 -18.705 -16.877 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.296 -16.714 -19.683 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.539 -18.698 -19.321 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.424 -18.132 -21.264 1.00 0.00 H new ATOM 240 N GLN A 16 -20.094 -20.674 -15.912 1.00 0.00 N ATOM 241 CA GLN A 16 -19.574 -22.036 -15.951 1.00 0.00 C ATOM 242 C GLN A 16 -18.344 -22.124 -16.849 1.00 0.00 C ATOM 243 O GLN A 16 -18.147 -21.288 -17.730 1.00 0.00 O ATOM 244 CB GLN A 16 -20.652 -23.002 -16.448 1.00 0.00 C ATOM 245 CG GLN A 16 -21.478 -23.619 -15.330 1.00 0.00 C ATOM 246 CD GLN A 16 -22.644 -24.436 -15.849 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.501 -23.927 -16.572 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.683 -25.712 -15.482 1.00 0.00 N ATOM 0 H GLN A 16 -20.212 -20.241 -16.828 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.283 -22.316 -14.938 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.317 -22.472 -17.130 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.178 -23.799 -17.021 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.838 -24.255 -14.719 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.854 -22.827 -14.682 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.952 -26.093 -14.882 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.444 -26.311 -15.801 1.00 0.00 H new ATOM 257 N GLU A 17 -17.520 -23.141 -16.617 1.00 0.00 N ATOM 258 CA GLU A 17 -16.308 -23.336 -17.405 1.00 0.00 C ATOM 259 C GLU A 17 -16.645 -23.846 -18.803 1.00 0.00 C ATOM 260 O GLU A 17 -16.484 -25.030 -19.100 1.00 0.00 O ATOM 261 CB GLU A 17 -15.370 -24.320 -16.702 1.00 0.00 C ATOM 262 CG GLU A 17 -16.041 -25.624 -16.306 1.00 0.00 C ATOM 263 CD GLU A 17 -15.141 -26.828 -16.507 1.00 0.00 C ATOM 264 OE1 GLU A 17 -14.382 -27.163 -15.574 1.00 0.00 O ATOM 265 OE2 GLU A 17 -15.197 -27.435 -17.597 1.00 0.00 O ATOM 0 H GLU A 17 -17.669 -23.842 -15.891 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.807 -22.373 -17.500 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.529 -24.539 -17.359 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.962 -23.845 -15.809 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.342 -25.570 -15.260 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.951 -25.753 -16.893 1.00 0.00 H new ATOM 272 N LYS A 18 -17.113 -22.944 -19.659 1.00 0.00 N ATOM 273 CA LYS A 18 -17.472 -23.300 -21.026 1.00 0.00 C ATOM 274 C LYS A 18 -16.240 -23.729 -21.818 1.00 0.00 C ATOM 275 O LYS A 18 -16.347 -24.455 -22.806 1.00 0.00 O ATOM 276 CB LYS A 18 -18.152 -22.119 -21.721 1.00 0.00 C ATOM 277 CG LYS A 18 -19.104 -22.531 -22.831 1.00 0.00 C ATOM 278 CD LYS A 18 -19.753 -21.324 -23.486 1.00 0.00 C ATOM 279 CE LYS A 18 -20.862 -20.748 -22.619 1.00 0.00 C ATOM 280 NZ LYS A 18 -21.299 -19.407 -23.096 1.00 0.00 N ATOM 0 H LYS A 18 -17.253 -21.960 -19.430 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.167 -24.139 -20.986 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.702 -21.539 -20.979 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.387 -21.463 -22.135 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.562 -23.106 -23.582 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.876 -23.185 -22.425 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.999 -20.559 -23.669 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.160 -21.610 -24.456 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.713 -21.429 -22.619 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.515 -20.672 -21.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.319 -19.293 -22.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.778 -18.669 -22.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.106 -19.321 -24.114 1.00 0.00 H new ATOM 294 N SER A 19 -15.071 -23.275 -21.377 1.00 0.00 N ATOM 295 CA SER A 19 -13.819 -23.610 -22.046 1.00 0.00 C ATOM 296 C SER A 19 -12.917 -24.432 -21.130 1.00 0.00 C ATOM 297 O SER A 19 -13.083 -24.455 -19.910 1.00 0.00 O ATOM 298 CB SER A 19 -13.095 -22.336 -22.485 1.00 0.00 C ATOM 299 OG SER A 19 -13.483 -21.954 -23.793 1.00 0.00 O ATOM 0 H SER A 19 -14.965 -22.674 -20.559 1.00 0.00 H new ATOM 0 HA SER A 19 -14.054 -24.208 -22.927 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.316 -21.529 -21.786 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.017 -22.497 -22.454 1.00 0.00 H new ATOM 0 HG SER A 19 -13.008 -21.136 -24.050 1.00 0.00 H new ATOM 305 N PRO A 20 -11.938 -25.123 -21.731 1.00 0.00 N ATOM 306 CA PRO A 20 -10.989 -25.959 -20.990 1.00 0.00 C ATOM 307 C PRO A 20 -10.022 -25.132 -20.149 1.00 0.00 C ATOM 308 O PRO A 20 -9.350 -25.659 -19.262 1.00 0.00 O ATOM 309 CB PRO A 20 -10.234 -26.703 -22.095 1.00 0.00 C ATOM 310 CG PRO A 20 -10.344 -25.821 -23.290 1.00 0.00 C ATOM 311 CD PRO A 20 -11.681 -25.141 -23.181 1.00 0.00 C ATOM 0 HA PRO A 20 -11.492 -26.616 -20.281 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.192 -26.869 -21.820 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.673 -27.682 -22.284 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.535 -25.091 -23.312 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.275 -26.401 -24.211 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.655 -24.134 -23.597 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.455 -25.688 -23.719 1.00 0.00 H new ATOM 319 N ARG A 21 -9.958 -23.835 -20.433 1.00 0.00 N ATOM 320 CA ARG A 21 -9.073 -22.937 -19.702 1.00 0.00 C ATOM 321 C ARG A 21 -9.867 -22.042 -18.755 1.00 0.00 C ATOM 322 O ARG A 21 -9.297 -21.375 -17.893 1.00 0.00 O ATOM 323 CB ARG A 21 -8.266 -22.076 -20.677 1.00 0.00 C ATOM 324 CG ARG A 21 -7.174 -22.842 -21.405 1.00 0.00 C ATOM 325 CD ARG A 21 -5.946 -23.029 -20.528 1.00 0.00 C ATOM 326 NE ARG A 21 -4.810 -23.555 -21.281 1.00 0.00 N ATOM 327 CZ ARG A 21 -3.608 -23.755 -20.753 1.00 0.00 C ATOM 328 NH1 ARG A 21 -3.386 -23.476 -19.476 1.00 0.00 N ATOM 329 NH2 ARG A 21 -2.624 -24.236 -21.503 1.00 0.00 N ATOM 0 H ARG A 21 -10.508 -23.383 -21.164 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.388 -23.545 -19.111 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.944 -21.641 -21.411 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.815 -21.248 -20.130 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.554 -23.816 -21.713 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.896 -22.307 -22.313 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.672 -22.074 -20.079 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.185 -23.709 -19.710 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.948 -23.781 -22.266 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.140 -23.107 -18.896 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.462 -23.631 -19.073 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.791 -24.452 -22.486 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.701 -24.389 -21.097 1.00 0.00 H new ATOM 343 N GLU A 22 -11.186 -22.034 -18.924 1.00 0.00 N ATOM 344 CA GLU A 22 -12.058 -21.220 -18.085 1.00 0.00 C ATOM 345 C GLU A 22 -12.585 -22.029 -16.903 1.00 0.00 C ATOM 346 O GLU A 22 -12.681 -23.255 -16.969 1.00 0.00 O ATOM 347 CB GLU A 22 -13.228 -20.674 -18.906 1.00 0.00 C ATOM 348 CG GLU A 22 -13.078 -19.209 -19.278 1.00 0.00 C ATOM 349 CD GLU A 22 -13.730 -18.875 -20.606 1.00 0.00 C ATOM 350 OE1 GLU A 22 -14.974 -18.939 -20.689 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.995 -18.549 -21.562 1.00 0.00 O ATOM 0 H GLU A 22 -11.673 -22.581 -19.633 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.473 -20.385 -17.700 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.328 -21.263 -19.817 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.150 -20.804 -18.340 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.520 -18.592 -18.495 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.019 -18.956 -19.324 1.00 0.00 H new ATOM 358 N VAL A 23 -12.925 -21.334 -15.822 1.00 0.00 N ATOM 359 CA VAL A 23 -13.443 -21.986 -14.625 1.00 0.00 C ATOM 360 C VAL A 23 -14.862 -21.523 -14.318 1.00 0.00 C ATOM 361 O VAL A 23 -15.392 -20.626 -14.976 1.00 0.00 O ATOM 362 CB VAL A 23 -12.548 -21.708 -13.403 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.303 -22.580 -13.443 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.175 -20.234 -13.340 1.00 0.00 C ATOM 0 H VAL A 23 -12.851 -20.319 -15.751 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.449 -23.057 -14.825 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.107 -21.957 -12.501 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.683 -22.369 -12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.594 -23.630 -13.436 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.738 -22.366 -14.350 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.542 -20.056 -12.470 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.634 -19.956 -14.245 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.081 -19.633 -13.259 1.00 0.00 H new ATOM 374 N THR A 24 -15.476 -22.140 -13.313 1.00 0.00 N ATOM 375 CA THR A 24 -16.835 -21.792 -12.918 1.00 0.00 C ATOM 376 C THR A 24 -16.839 -20.642 -11.916 1.00 0.00 C ATOM 377 O THR A 24 -16.062 -20.635 -10.962 1.00 0.00 O ATOM 378 CB THR A 24 -17.566 -22.998 -12.300 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.491 -24.122 -13.185 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.024 -22.663 -12.022 1.00 0.00 C ATOM 0 H THR A 24 -15.053 -22.884 -12.758 1.00 0.00 H new ATOM 0 HA THR A 24 -17.358 -21.484 -13.823 1.00 0.00 H new ATOM 0 HB THR A 24 -17.080 -23.245 -11.356 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.957 -24.886 -12.784 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.520 -23.530 -11.586 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.079 -21.826 -11.326 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.519 -22.393 -12.955 1.00 0.00 H new ATOM 388 N MET A 25 -17.720 -19.672 -12.140 1.00 0.00 N ATOM 389 CA MET A 25 -17.826 -18.518 -11.254 1.00 0.00 C ATOM 390 C MET A 25 -19.194 -18.473 -10.582 1.00 0.00 C ATOM 391 O MET A 25 -20.147 -19.098 -11.047 1.00 0.00 O ATOM 392 CB MET A 25 -17.586 -17.225 -12.036 1.00 0.00 C ATOM 393 CG MET A 25 -16.866 -16.154 -11.233 1.00 0.00 C ATOM 394 SD MET A 25 -15.151 -15.937 -11.746 1.00 0.00 S ATOM 395 CE MET A 25 -14.441 -17.496 -11.224 1.00 0.00 C ATOM 0 H MET A 25 -18.370 -19.662 -12.926 1.00 0.00 H new ATOM 0 HA MET A 25 -17.064 -18.613 -10.480 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.002 -17.453 -12.928 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.545 -16.831 -12.374 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.396 -15.207 -11.340 1.00 0.00 H new ATOM 0 HG3 MET A 25 -16.894 -16.417 -10.176 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.414 -17.566 -11.582 1.00 0.00 H new ATOM 0 HE2 MET A 25 -14.450 -17.554 -10.136 1.00 0.00 H new ATOM 0 HE3 MET A 25 -15.026 -18.318 -11.636 1.00 0.00 H new ATOM 405 N LYS A 26 -19.285 -17.731 -9.484 1.00 0.00 N ATOM 406 CA LYS A 26 -20.536 -17.603 -8.747 1.00 0.00 C ATOM 407 C LYS A 26 -20.838 -16.140 -8.436 1.00 0.00 C ATOM 408 O LYS A 26 -19.960 -15.392 -8.006 1.00 0.00 O ATOM 409 CB LYS A 26 -20.471 -18.408 -7.447 1.00 0.00 C ATOM 410 CG LYS A 26 -21.646 -18.159 -6.518 1.00 0.00 C ATOM 411 CD LYS A 26 -22.957 -18.604 -7.144 1.00 0.00 C ATOM 412 CE LYS A 26 -24.130 -18.377 -6.204 1.00 0.00 C ATOM 413 NZ LYS A 26 -25.406 -18.892 -6.773 1.00 0.00 N ATOM 0 H LYS A 26 -18.506 -17.208 -9.084 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.338 -17.997 -9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.429 -19.470 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -19.547 -18.163 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -21.490 -18.693 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -21.700 -17.098 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.122 -18.057 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.897 -19.661 -7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -23.932 -18.869 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.229 -17.311 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.207 -18.516 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -25.491 -18.590 -7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -25.413 -19.931 -6.726 1.00 0.00 H new ATOM 427 N LYS A 27 -22.085 -15.738 -8.656 1.00 0.00 N ATOM 428 CA LYS A 27 -22.504 -14.366 -8.398 1.00 0.00 C ATOM 429 C LYS A 27 -22.295 -14.000 -6.932 1.00 0.00 C ATOM 430 O LYS A 27 -22.804 -14.671 -6.035 1.00 0.00 O ATOM 431 CB LYS A 27 -23.976 -14.181 -8.775 1.00 0.00 C ATOM 432 CG LYS A 27 -24.924 -15.054 -7.971 1.00 0.00 C ATOM 433 CD LYS A 27 -26.326 -15.041 -8.558 1.00 0.00 C ATOM 434 CE LYS A 27 -26.510 -16.145 -9.587 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.902 -16.187 -10.113 1.00 0.00 N ATOM 0 H LYS A 27 -22.824 -16.344 -9.013 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.892 -13.704 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.250 -13.136 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.102 -14.403 -9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.547 -16.077 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.957 -14.703 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -27.057 -15.162 -7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.518 -14.074 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.815 -15.992 -10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.263 -17.106 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -27.986 -16.953 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -28.564 -16.359 -9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -28.130 -15.279 -10.566 1.00 0.00 H new ATOM 449 N GLY A 28 -21.542 -12.930 -6.695 1.00 0.00 N ATOM 450 CA GLY A 28 -21.279 -12.493 -5.337 1.00 0.00 C ATOM 451 C GLY A 28 -19.969 -13.031 -4.797 1.00 0.00 C ATOM 452 O GLY A 28 -19.511 -12.617 -3.732 1.00 0.00 O ATOM 0 H GLY A 28 -21.109 -12.358 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.261 -11.404 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.095 -12.816 -4.690 1.00 0.00 H new ATOM 456 N ASP A 29 -19.364 -13.958 -5.533 1.00 0.00 N ATOM 457 CA ASP A 29 -18.099 -14.554 -5.122 1.00 0.00 C ATOM 458 C ASP A 29 -16.919 -13.774 -5.695 1.00 0.00 C ATOM 459 O ASP A 29 -16.853 -13.526 -6.899 1.00 0.00 O ATOM 460 CB ASP A 29 -18.028 -16.014 -5.574 1.00 0.00 C ATOM 461 CG ASP A 29 -19.010 -16.898 -4.831 1.00 0.00 C ATOM 462 OD1 ASP A 29 -20.123 -16.421 -4.525 1.00 0.00 O ATOM 463 OD2 ASP A 29 -18.666 -18.066 -4.555 1.00 0.00 O ATOM 0 H ASP A 29 -19.730 -14.312 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.044 -14.515 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.230 -16.070 -6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.017 -16.390 -5.420 1.00 0.00 H new ATOM 468 N ILE A 30 -15.992 -13.390 -4.824 1.00 0.00 N ATOM 469 CA ILE A 30 -14.816 -12.638 -5.243 1.00 0.00 C ATOM 470 C ILE A 30 -13.591 -13.542 -5.338 1.00 0.00 C ATOM 471 O ILE A 30 -13.269 -14.270 -4.398 1.00 0.00 O ATOM 472 CB ILE A 30 -14.512 -11.481 -4.273 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.775 -10.657 -4.016 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.403 -10.601 -4.830 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.566 -9.518 -3.044 1.00 0.00 C ATOM 0 H ILE A 30 -16.033 -13.587 -3.824 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.039 -12.227 -6.227 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.175 -11.900 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -16.135 -10.254 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.555 -11.314 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.199 -9.788 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.500 -11.196 -4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.714 -10.188 -5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.503 -8.978 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.235 -9.915 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.809 -8.839 -3.436 1.00 0.00 H new ATOM 487 N LEU A 31 -12.910 -13.489 -6.478 1.00 0.00 N ATOM 488 CA LEU A 31 -11.718 -14.301 -6.696 1.00 0.00 C ATOM 489 C LEU A 31 -10.466 -13.431 -6.737 1.00 0.00 C ATOM 490 O LEU A 31 -10.551 -12.202 -6.752 1.00 0.00 O ATOM 491 CB LEU A 31 -11.847 -15.091 -7.999 1.00 0.00 C ATOM 492 CG LEU A 31 -13.078 -15.990 -8.120 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.353 -16.700 -6.804 1.00 0.00 C ATOM 494 CD2 LEU A 31 -14.291 -15.178 -8.554 1.00 0.00 C ATOM 0 H LEU A 31 -13.163 -12.892 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.626 -14.998 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.855 -14.385 -8.829 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.957 -15.710 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.879 -16.745 -8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.233 -17.335 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.493 -17.313 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.531 -15.961 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.158 -15.834 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.492 -14.401 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.093 -14.717 -9.522 1.00 0.00 H new ATOM 506 N THR A 32 -9.304 -14.076 -6.756 1.00 0.00 N ATOM 507 CA THR A 32 -8.034 -13.362 -6.797 1.00 0.00 C ATOM 508 C THR A 32 -7.650 -13.005 -8.228 1.00 0.00 C ATOM 509 O THR A 32 -7.519 -13.881 -9.084 1.00 0.00 O ATOM 510 CB THR A 32 -6.902 -14.193 -6.165 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.387 -14.883 -5.008 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.730 -13.304 -5.777 1.00 0.00 C ATOM 0 H THR A 32 -9.216 -15.092 -6.744 1.00 0.00 H new ATOM 0 HA THR A 32 -8.167 -12.446 -6.221 1.00 0.00 H new ATOM 0 HB THR A 32 -6.559 -14.919 -6.903 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.661 -15.410 -4.613 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.943 -13.913 -5.333 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.344 -12.803 -6.665 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.063 -12.558 -5.055 1.00 0.00 H new ATOM 520 N LEU A 33 -7.468 -11.714 -8.483 1.00 0.00 N ATOM 521 CA LEU A 33 -7.097 -11.241 -9.812 1.00 0.00 C ATOM 522 C LEU A 33 -5.674 -11.665 -10.163 1.00 0.00 C ATOM 523 O LEU A 33 -4.732 -11.395 -9.417 1.00 0.00 O ATOM 524 CB LEU A 33 -7.220 -9.718 -9.886 1.00 0.00 C ATOM 525 CG LEU A 33 -7.578 -9.139 -11.255 1.00 0.00 C ATOM 526 CD1 LEU A 33 -7.530 -7.619 -11.221 1.00 0.00 C ATOM 527 CD2 LEU A 33 -6.641 -9.680 -12.324 1.00 0.00 C ATOM 0 H LEU A 33 -7.571 -10.976 -7.787 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.779 -11.690 -10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.977 -9.400 -9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.274 -9.281 -9.565 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.595 -9.444 -11.503 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.788 -7.225 -12.204 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.242 -7.249 -10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.526 -7.293 -10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.911 -9.257 -13.292 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.615 -9.405 -12.081 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.725 -10.766 -12.366 1.00 0.00 H new ATOM 539 N LEU A 34 -5.525 -12.328 -11.304 1.00 0.00 N ATOM 540 CA LEU A 34 -4.217 -12.788 -11.757 1.00 0.00 C ATOM 541 C LEU A 34 -3.823 -12.108 -13.064 1.00 0.00 C ATOM 542 O LEU A 34 -2.689 -11.660 -13.225 1.00 0.00 O ATOM 543 CB LEU A 34 -4.223 -14.306 -11.940 1.00 0.00 C ATOM 544 CG LEU A 34 -3.741 -15.128 -10.744 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.468 -14.705 -9.477 1.00 0.00 C ATOM 546 CD2 LEU A 34 -3.939 -16.615 -11.003 1.00 0.00 C ATOM 0 H LEU A 34 -6.294 -12.559 -11.933 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.483 -12.523 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.238 -14.618 -12.185 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.598 -14.551 -12.799 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.676 -14.942 -10.607 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.112 -15.301 -8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.275 -13.650 -9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.539 -14.860 -9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.590 -17.184 -10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.997 -16.818 -11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.371 -16.909 -11.886 1.00 0.00 H new ATOM 558 N ASN A 35 -4.769 -12.035 -13.995 1.00 0.00 N ATOM 559 CA ASN A 35 -4.521 -11.408 -15.289 1.00 0.00 C ATOM 560 C ASN A 35 -5.661 -10.466 -15.664 1.00 0.00 C ATOM 561 O ASN A 35 -6.829 -10.854 -15.656 1.00 0.00 O ATOM 562 CB ASN A 35 -4.350 -12.475 -16.371 1.00 0.00 C ATOM 563 CG ASN A 35 -3.530 -11.980 -17.547 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.156 -11.195 -18.416 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.347 -12.299 -17.672 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.714 -12.402 -13.878 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.602 -10.826 -15.213 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.868 -13.352 -15.939 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.332 -12.792 -16.724 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.906 -12.905 -16.980 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.808 -11.957 -18.468 1.00 0.00 H new ATOM 572 N SER A 36 -5.313 -9.226 -15.992 1.00 0.00 N ATOM 573 CA SER A 36 -6.306 -8.227 -16.368 1.00 0.00 C ATOM 574 C SER A 36 -5.891 -7.499 -17.642 1.00 0.00 C ATOM 575 O SER A 36 -6.290 -6.358 -17.879 1.00 0.00 O ATOM 576 CB SER A 36 -6.502 -7.220 -15.232 1.00 0.00 C ATOM 577 OG SER A 36 -5.287 -6.988 -14.541 1.00 0.00 O ATOM 0 H SER A 36 -4.350 -8.889 -16.005 1.00 0.00 H new ATOM 0 HA SER A 36 -7.249 -8.741 -16.556 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.879 -6.281 -15.636 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.254 -7.593 -14.537 1.00 0.00 H new ATOM 0 HG SER A 36 -5.438 -6.340 -13.822 1.00 0.00 H new ATOM 583 N THR A 37 -5.084 -8.167 -18.461 1.00 0.00 N ATOM 584 CA THR A 37 -4.612 -7.585 -19.711 1.00 0.00 C ATOM 585 C THR A 37 -5.512 -7.979 -20.876 1.00 0.00 C ATOM 586 O THR A 37 -5.035 -8.257 -21.975 1.00 0.00 O ATOM 587 CB THR A 37 -3.167 -8.020 -20.023 1.00 0.00 C ATOM 588 OG1 THR A 37 -3.137 -9.412 -20.359 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.255 -7.760 -18.834 1.00 0.00 C ATOM 0 H THR A 37 -4.744 -9.112 -18.281 1.00 0.00 H new ATOM 0 HA THR A 37 -4.639 -6.503 -19.585 1.00 0.00 H new ATOM 0 HB THR A 37 -2.809 -7.434 -20.870 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.510 -9.935 -19.619 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.240 -8.075 -19.078 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.258 -6.696 -18.599 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.612 -8.323 -17.972 1.00 0.00 H new ATOM 597 N ASN A 38 -6.818 -8.001 -20.628 1.00 0.00 N ATOM 598 CA ASN A 38 -7.785 -8.362 -21.658 1.00 0.00 C ATOM 599 C ASN A 38 -9.203 -8.001 -21.222 1.00 0.00 C ATOM 600 O ASN A 38 -9.828 -8.724 -20.446 1.00 0.00 O ATOM 601 CB ASN A 38 -7.700 -9.858 -21.966 1.00 0.00 C ATOM 602 CG ASN A 38 -7.494 -10.133 -23.443 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.568 -10.847 -23.830 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.358 -9.566 -24.276 1.00 0.00 N ATOM 0 H ASN A 38 -7.230 -7.773 -19.723 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.545 -7.799 -22.560 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.879 -10.297 -21.399 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.615 -10.348 -21.632 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.270 -9.715 -25.281 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.110 -8.982 -23.911 1.00 0.00 H new ATOM 611 N LYS A 39 -9.704 -6.880 -21.728 1.00 0.00 N ATOM 612 CA LYS A 39 -11.048 -6.423 -21.395 1.00 0.00 C ATOM 613 C LYS A 39 -12.077 -7.516 -21.664 1.00 0.00 C ATOM 614 O LYS A 39 -13.140 -7.547 -21.045 1.00 0.00 O ATOM 615 CB LYS A 39 -11.397 -5.169 -22.200 1.00 0.00 C ATOM 616 CG LYS A 39 -11.448 -5.405 -23.700 1.00 0.00 C ATOM 617 CD LYS A 39 -11.075 -4.151 -24.474 1.00 0.00 C ATOM 618 CE LYS A 39 -12.207 -3.135 -24.468 1.00 0.00 C ATOM 619 NZ LYS A 39 -13.363 -3.587 -25.290 1.00 0.00 N ATOM 0 H LYS A 39 -9.199 -6.270 -22.371 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.070 -6.182 -20.332 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.363 -4.791 -21.867 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.661 -4.394 -21.987 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.767 -6.214 -23.966 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.450 -5.725 -23.985 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.182 -3.705 -24.037 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.828 -4.417 -25.502 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.535 -2.964 -23.443 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.841 -2.182 -24.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.996 -2.782 -25.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.018 -3.967 -26.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.883 -4.328 -24.779 1.00 0.00 H new ATOM 633 N ASP A 40 -11.752 -8.412 -22.590 1.00 0.00 N ATOM 634 CA ASP A 40 -12.648 -9.509 -22.939 1.00 0.00 C ATOM 635 C ASP A 40 -12.759 -10.506 -21.790 1.00 0.00 C ATOM 636 O ASP A 40 -13.808 -10.623 -21.157 1.00 0.00 O ATOM 637 CB ASP A 40 -12.152 -10.218 -24.200 1.00 0.00 C ATOM 638 CG ASP A 40 -12.181 -9.318 -25.420 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.451 -8.110 -25.259 1.00 0.00 O ATOM 640 OD2 ASP A 40 -11.936 -9.823 -26.536 1.00 0.00 O ATOM 0 H ASP A 40 -10.876 -8.400 -23.112 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.637 -9.092 -23.131 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.134 -10.572 -24.038 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.769 -11.097 -24.386 1.00 0.00 H new ATOM 645 N TRP A 41 -11.672 -11.222 -21.528 1.00 0.00 N ATOM 646 CA TRP A 41 -11.648 -12.210 -20.455 1.00 0.00 C ATOM 647 C TRP A 41 -10.566 -11.879 -19.433 1.00 0.00 C ATOM 648 O TRP A 41 -9.575 -11.225 -19.756 1.00 0.00 O ATOM 649 CB TRP A 41 -11.415 -13.609 -21.028 1.00 0.00 C ATOM 650 CG TRP A 41 -12.300 -13.929 -22.195 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.143 -13.503 -23.483 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.479 -14.740 -22.179 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.154 -14.001 -24.269 1.00 0.00 N ATOM 654 CE2 TRP A 41 -13.987 -14.763 -23.493 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.155 -15.450 -21.183 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.138 -15.468 -23.834 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.298 -16.149 -21.523 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.780 -16.155 -22.839 1.00 0.00 C ATOM 0 H TRP A 41 -10.796 -11.137 -22.043 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.615 -12.187 -19.952 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.373 -13.699 -21.336 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.580 -14.347 -20.243 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.342 -12.868 -23.832 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.266 -13.831 -25.268 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.791 -15.452 -20.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.511 -15.473 -24.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.829 -16.700 -20.761 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.675 -16.712 -23.073 1.00 0.00 H new ATOM 669 N TRP A 42 -10.763 -12.334 -18.201 1.00 0.00 N ATOM 670 CA TRP A 42 -9.803 -12.085 -17.132 1.00 0.00 C ATOM 671 C TRP A 42 -9.427 -13.383 -16.425 1.00 0.00 C ATOM 672 O TRP A 42 -10.230 -14.312 -16.343 1.00 0.00 O ATOM 673 CB TRP A 42 -10.377 -11.089 -16.124 1.00 0.00 C ATOM 674 CG TRP A 42 -10.364 -9.673 -16.616 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.577 -9.156 -17.605 1.00 0.00 C ATOM 676 CD2 TRP A 42 -11.174 -8.593 -16.139 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.849 -7.819 -17.772 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.826 -7.450 -16.885 1.00 0.00 C ATOM 679 CE3 TRP A 42 -12.161 -8.480 -15.156 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.429 -6.212 -16.676 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.759 -7.251 -14.950 1.00 0.00 C ATOM 682 CH2 TRP A 42 -12.392 -6.131 -15.708 1.00 0.00 C ATOM 0 H TRP A 42 -11.579 -12.877 -17.918 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.903 -11.662 -17.578 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.402 -11.374 -15.885 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.805 -11.150 -15.198 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.848 -9.715 -18.173 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.397 -7.202 -18.447 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.451 -9.338 -14.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.146 -5.347 -17.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.522 -7.152 -14.192 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.879 -5.185 -15.524 1.00 0.00 H new ATOM 693 N LYS A 43 -8.201 -13.440 -15.916 1.00 0.00 N ATOM 694 CA LYS A 43 -7.718 -14.624 -15.214 1.00 0.00 C ATOM 695 C LYS A 43 -7.838 -14.447 -13.704 1.00 0.00 C ATOM 696 O LYS A 43 -7.154 -13.614 -13.110 1.00 0.00 O ATOM 697 CB LYS A 43 -6.263 -14.907 -15.591 1.00 0.00 C ATOM 698 CG LYS A 43 -5.868 -16.366 -15.440 1.00 0.00 C ATOM 699 CD LYS A 43 -4.501 -16.640 -16.045 1.00 0.00 C ATOM 700 CE LYS A 43 -3.387 -16.053 -15.192 1.00 0.00 C ATOM 701 NZ LYS A 43 -2.984 -16.975 -14.094 1.00 0.00 N ATOM 0 H LYS A 43 -7.523 -12.680 -15.976 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.336 -15.471 -15.513 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.098 -14.600 -16.624 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.610 -14.296 -14.968 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.859 -16.634 -14.383 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.614 -16.997 -15.923 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.355 -17.716 -16.146 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.454 -16.217 -17.048 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.523 -15.838 -15.821 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.716 -15.105 -14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.284 -16.505 -13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.820 -17.228 -13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.567 -17.837 -14.500 1.00 0.00 H new ATOM 715 N VAL A 44 -8.712 -15.238 -13.088 1.00 0.00 N ATOM 716 CA VAL A 44 -8.919 -15.170 -11.646 1.00 0.00 C ATOM 717 C VAL A 44 -8.482 -16.463 -10.967 1.00 0.00 C ATOM 718 O VAL A 44 -8.247 -17.474 -11.628 1.00 0.00 O ATOM 719 CB VAL A 44 -10.396 -14.898 -11.304 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.837 -13.557 -11.870 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.279 -16.022 -11.824 1.00 0.00 C ATOM 0 H VAL A 44 -9.287 -15.932 -13.565 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.310 -14.345 -11.277 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.498 -14.859 -10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.883 -13.382 -11.618 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.224 -12.763 -11.444 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.721 -13.564 -12.954 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.319 -15.813 -11.573 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.174 -16.096 -12.906 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.977 -16.964 -11.365 1.00 0.00 H new ATOM 731 N GLU A 45 -8.375 -16.423 -9.642 1.00 0.00 N ATOM 732 CA GLU A 45 -7.965 -17.592 -8.874 1.00 0.00 C ATOM 733 C GLU A 45 -8.998 -17.929 -7.802 1.00 0.00 C ATOM 734 O GLU A 45 -9.427 -17.060 -7.043 1.00 0.00 O ATOM 735 CB GLU A 45 -6.601 -17.351 -8.224 1.00 0.00 C ATOM 736 CG GLU A 45 -5.798 -18.622 -8.003 1.00 0.00 C ATOM 737 CD GLU A 45 -4.370 -18.343 -7.579 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.076 -17.189 -7.204 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.545 -19.281 -7.621 1.00 0.00 O ATOM 0 H GLU A 45 -8.567 -15.594 -9.079 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.889 -18.436 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.024 -16.672 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.748 -16.853 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.287 -19.229 -7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.792 -19.208 -8.922 1.00 0.00 H new ATOM 746 N VAL A 46 -9.395 -19.196 -7.748 1.00 0.00 N ATOM 747 CA VAL A 46 -10.377 -19.649 -6.770 1.00 0.00 C ATOM 748 C VAL A 46 -9.784 -20.705 -5.844 1.00 0.00 C ATOM 749 O VAL A 46 -8.628 -21.100 -5.994 1.00 0.00 O ATOM 750 CB VAL A 46 -11.627 -20.229 -7.458 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.223 -19.217 -8.424 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.287 -21.527 -8.175 1.00 0.00 C ATOM 0 H VAL A 46 -9.052 -19.928 -8.370 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.665 -18.777 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.372 -20.448 -6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.105 -19.645 -8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.506 -18.316 -7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.486 -18.964 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.182 -21.923 -8.655 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.524 -21.337 -8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.911 -22.253 -7.454 1.00 0.00 H new ATOM 940 N GLN A 58 -6.047 -21.522 -10.518 1.00 0.00 N ATOM 941 CA GLN A 58 -6.355 -20.380 -11.370 1.00 0.00 C ATOM 942 C GLN A 58 -7.274 -20.788 -12.517 1.00 0.00 C ATOM 943 O GLN A 58 -7.402 -21.970 -12.833 1.00 0.00 O ATOM 944 CB GLN A 58 -5.067 -19.769 -11.926 1.00 0.00 C ATOM 945 CG GLN A 58 -4.296 -20.706 -12.843 1.00 0.00 C ATOM 946 CD GLN A 58 -2.802 -20.452 -12.813 1.00 0.00 C ATOM 947 OE1 GLN A 58 -2.265 -19.947 -13.918 1.00 0.00 O flip ATOM 948 NE2 GLN A 58 -2.137 -20.706 -11.809 1.00 0.00 N flip ATOM 0 HA GLN A 58 -6.870 -19.635 -10.763 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.313 -18.859 -12.473 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.425 -19.477 -11.095 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.491 -21.737 -12.550 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.660 -20.590 -13.864 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.590 -21.093 -10.981 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.132 -20.529 -11.804 1.00 0.00 H new ATOM 957 N GLY A 59 -7.914 -19.801 -13.137 1.00 0.00 N ATOM 958 CA GLY A 59 -8.814 -20.078 -14.241 1.00 0.00 C ATOM 959 C GLY A 59 -9.304 -18.815 -14.921 1.00 0.00 C ATOM 960 O GLY A 59 -9.457 -17.775 -14.279 1.00 0.00 O ATOM 0 H GLY A 59 -7.825 -18.814 -12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.305 -20.706 -14.972 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.670 -20.645 -13.875 1.00 0.00 H new ATOM 964 N PHE A 60 -9.549 -18.903 -16.224 1.00 0.00 N ATOM 965 CA PHE A 60 -10.021 -17.757 -16.992 1.00 0.00 C ATOM 966 C PHE A 60 -11.533 -17.598 -16.857 1.00 0.00 C ATOM 967 O PHE A 60 -12.248 -18.562 -16.580 1.00 0.00 O ATOM 968 CB PHE A 60 -9.643 -17.913 -18.466 1.00 0.00 C ATOM 969 CG PHE A 60 -8.311 -17.311 -18.810 1.00 0.00 C ATOM 970 CD1 PHE A 60 -8.212 -15.978 -19.176 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.158 -18.077 -18.768 1.00 0.00 C ATOM 972 CE1 PHE A 60 -6.988 -15.421 -19.493 1.00 0.00 C ATOM 973 CE2 PHE A 60 -5.930 -17.526 -19.085 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.845 -16.196 -19.447 1.00 0.00 C ATOM 0 H PHE A 60 -9.429 -19.756 -16.770 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.542 -16.862 -16.594 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.630 -18.973 -18.719 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.413 -17.448 -19.082 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.102 -15.367 -19.214 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.219 -19.117 -18.484 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.925 -14.381 -19.776 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.039 -18.135 -19.050 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.887 -15.763 -19.694 1.00 0.00 H new ATOM 984 N VAL A 61 -12.014 -16.375 -17.055 1.00 0.00 N ATOM 985 CA VAL A 61 -13.440 -16.088 -16.956 1.00 0.00 C ATOM 986 C VAL A 61 -13.805 -14.835 -17.745 1.00 0.00 C ATOM 987 O VAL A 61 -12.965 -13.978 -18.019 1.00 0.00 O ATOM 988 CB VAL A 61 -13.875 -15.904 -15.490 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.130 -17.253 -14.835 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.827 -15.116 -14.719 1.00 0.00 C ATOM 0 H VAL A 61 -11.436 -15.566 -17.285 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.965 -16.945 -17.378 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.806 -15.338 -15.473 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.436 -17.103 -13.800 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.919 -17.776 -15.375 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.217 -17.848 -14.861 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.150 -14.995 -13.685 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.878 -15.652 -14.742 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.700 -14.135 -15.176 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.088 -14.725 -18.119 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.594 -13.579 -18.881 1.00 0.00 C ATOM 1002 C PRO A 62 -15.623 -12.299 -18.052 1.00 0.00 C ATOM 1003 O PRO A 62 -16.239 -12.252 -16.988 1.00 0.00 O ATOM 1004 CB PRO A 62 -17.015 -14.004 -19.258 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.407 -14.989 -18.211 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.143 -15.709 -17.827 1.00 0.00 C ATOM 0 HA PRO A 62 -14.962 -13.348 -19.738 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.693 -13.150 -19.272 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.044 -14.450 -20.252 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.848 -14.488 -17.349 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.154 -15.686 -18.591 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.147 -15.994 -16.775 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.010 -16.624 -18.405 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.954 -11.264 -18.548 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.906 -9.983 -17.854 1.00 0.00 C ATOM 1016 C ALA A 63 -16.294 -9.361 -17.752 1.00 0.00 C ATOM 1017 O ALA A 63 -16.517 -8.441 -16.965 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.951 -9.034 -18.563 1.00 0.00 C ATOM 0 H ALA A 63 -14.438 -11.287 -19.427 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.541 -10.160 -16.842 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.925 -8.081 -18.034 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.951 -9.468 -18.578 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.292 -8.872 -19.586 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.225 -9.868 -18.555 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.592 -9.362 -18.554 1.00 0.00 C ATOM 1026 C ALA A 64 -19.376 -9.904 -17.363 1.00 0.00 C ATOM 1027 O ALA A 64 -20.515 -9.501 -17.123 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.289 -9.725 -19.856 1.00 0.00 C ATOM 0 H ALA A 64 -17.057 -10.628 -19.214 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.552 -8.276 -18.466 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.309 -9.341 -19.842 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.747 -9.285 -20.694 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.311 -10.809 -19.967 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.761 -10.818 -16.622 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.403 -11.417 -15.458 1.00 0.00 C ATOM 1036 C TYR A 65 -18.583 -11.170 -14.196 1.00 0.00 C ATOM 1037 O TYR A 65 -18.818 -11.788 -13.157 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.594 -12.919 -15.671 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.583 -13.256 -16.763 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.293 -12.991 -18.096 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.809 -13.837 -16.463 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.194 -13.296 -19.098 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.715 -14.147 -17.458 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.404 -13.874 -18.774 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.305 -14.180 -19.768 1.00 0.00 O ATOM 0 H TYR A 65 -17.818 -11.161 -16.806 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.379 -10.948 -15.332 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.631 -13.368 -15.914 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.930 -13.370 -14.737 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.347 -12.539 -18.353 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -22.058 -14.050 -15.434 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -20.952 -13.083 -20.129 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.662 -14.601 -17.207 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.106 -14.582 -19.371 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.618 -10.261 -14.293 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.762 -9.930 -13.160 1.00 0.00 C ATOM 1057 C VAL A 66 -16.283 -8.485 -13.237 1.00 0.00 C ATOM 1058 O VAL A 66 -16.201 -7.903 -14.319 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.537 -10.862 -13.090 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.977 -12.311 -12.944 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.662 -10.683 -14.321 1.00 0.00 C ATOM 0 H VAL A 66 -17.409 -9.740 -15.145 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.363 -10.064 -12.260 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.948 -10.596 -12.212 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.099 -12.955 -12.896 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.560 -12.424 -12.030 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.588 -12.594 -13.801 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.801 -11.349 -14.255 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.238 -10.922 -15.215 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.318 -9.650 -14.376 1.00 0.00 H new ATOM 1071 N LYS A 67 -15.967 -7.909 -12.082 1.00 0.00 N ATOM 1072 CA LYS A 67 -15.494 -6.532 -12.016 1.00 0.00 C ATOM 1073 C LYS A 67 -14.491 -6.355 -10.881 1.00 0.00 C ATOM 1074 O LYS A 67 -14.726 -6.794 -9.756 1.00 0.00 O ATOM 1075 CB LYS A 67 -16.673 -5.575 -11.823 1.00 0.00 C ATOM 1076 CG LYS A 67 -16.389 -4.158 -12.292 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.615 -3.271 -12.159 1.00 0.00 C ATOM 1078 CE LYS A 67 -17.234 -1.800 -12.086 1.00 0.00 C ATOM 1079 NZ LYS A 67 -18.229 -1.007 -11.313 1.00 0.00 N ATOM 0 H LYS A 67 -16.030 -8.376 -11.177 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.995 -6.300 -12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -17.536 -5.962 -12.364 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.943 -5.552 -10.767 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.570 -3.738 -11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.063 -4.176 -13.332 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -18.278 -3.435 -13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.171 -3.549 -11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.252 -1.702 -11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.152 -1.396 -13.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.933 -0.010 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.161 -1.080 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.289 -1.376 -10.343 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.371 -5.707 -11.184 1.00 0.00 N ATOM 1094 CA LYS A 68 -12.332 -5.468 -10.189 1.00 0.00 C ATOM 1095 C LYS A 68 -12.766 -4.395 -9.195 1.00 0.00 C ATOM 1096 O LYS A 68 -13.210 -3.315 -9.587 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.029 -5.047 -10.873 1.00 0.00 C ATOM 1098 CG LYS A 68 -9.908 -4.726 -9.901 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.748 -3.227 -9.710 1.00 0.00 C ATOM 1100 CE LYS A 68 -8.849 -2.622 -10.777 1.00 0.00 C ATOM 1101 NZ LYS A 68 -8.582 -1.179 -10.524 1.00 0.00 N ATOM 0 H LYS A 68 -13.160 -5.338 -12.111 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.166 -6.397 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.703 -5.846 -11.539 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.221 -4.173 -11.495 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.113 -5.196 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.973 -5.149 -10.270 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.727 -2.748 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.329 -3.027 -8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.905 -3.166 -10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.316 -2.739 -11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.966 -0.803 -11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.480 -0.655 -10.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.113 -1.069 -9.602 1.00 0.00 H new ATOM 1115 N LEU A 69 -12.634 -4.699 -7.909 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.011 -3.760 -6.858 1.00 0.00 C ATOM 1117 C LEU A 69 -11.783 -3.056 -6.291 1.00 0.00 C ATOM 1118 O LEU A 69 -11.700 -1.828 -6.300 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.758 -4.489 -5.740 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.730 -5.583 -6.184 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -15.307 -6.306 -4.977 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -15.844 -4.993 -7.036 1.00 0.00 C ATOM 0 H LEU A 69 -12.269 -5.588 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 69 -13.668 -3.008 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.023 -4.934 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.313 -3.751 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.182 -6.306 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.996 -7.081 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.499 -6.762 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.840 -5.594 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.526 -5.786 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.390 -4.249 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.415 -4.521 -7.920 1.00 0.00 H new ATOM 1134 N ASP A 70 -10.832 -3.842 -5.799 1.00 0.00 N ATOM 1135 CA ASP A 70 -9.606 -3.294 -5.230 1.00 0.00 C ATOM 1136 C ASP A 70 -8.637 -2.874 -6.331 1.00 0.00 C ATOM 1137 O ASP A 70 -7.666 -2.159 -6.077 1.00 0.00 O ATOM 1138 CB ASP A 70 -8.941 -4.322 -4.313 1.00 0.00 C ATOM 1139 CG ASP A 70 -9.643 -4.444 -2.975 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -10.799 -3.984 -2.867 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -9.037 -5.000 -2.035 1.00 0.00 O ATOM 0 H ASP A 70 -10.886 -4.860 -5.783 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.868 -2.412 -4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.934 -5.294 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.901 -4.040 -4.150 1.00 0.00 H new