USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 809 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 18 GLN : amide:sc= 0 X(o=-1.3,f=-1.4) USER MOD Set 1.2: A 95 TYR OH : rot 15:sc= -1.34 USER MOD Set 2.1: A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.37 K(o=-0.37,f=-2!) USER MOD Single : A 10 MET CE :methyl -133:sc= -6.99! (180deg=-11.2!) USER MOD Single : A 13 MET CE :methyl -118:sc= -3.48 (180deg=-5.12!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.367 USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= -0.318 (180deg=-1.41) USER MOD Single : A 20 MET CE :methyl 178:sc= -3.72! (180deg=-3.75!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.135 K(o=-0.14,f=-2.2!) USER MOD Single : A 34 ASN : amide:sc= -0.806 K(o=-0.81,f=-4!) USER MOD Single : A 36 TYR OH : rot -179:sc= 0.0343 USER MOD Single : A 37 CYS SG : rot 107:sc= -7.19! USER MOD Single : A 43 SER OG : rot -64:sc= 1.25 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0106) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.128 F(o=-1.8,f=-0.13) USER MOD Single : A 66 SER OG : rot 28:sc= 0.228 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -2.66! C(o=-4.3!,f=-2.7!) USER MOD Single : A 86 LYS NZ :NH3+ -158:sc= 0.0781 (180deg=-0.0238) USER MOD Single : A 90 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.1!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.0536 K(o=-0.054,f=-1.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -178:sc= -6.3! (180deg=-6.48!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.77) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -5.703 -14.132 1.242 1.00 0.00 N ATOM 67 CA GLU A 8 -5.807 -12.934 2.057 1.00 0.00 C ATOM 68 C GLU A 8 -5.774 -11.686 1.173 1.00 0.00 C ATOM 69 O GLU A 8 -4.713 -11.290 0.692 1.00 0.00 O ATOM 70 CB GLU A 8 -4.698 -12.889 3.111 1.00 0.00 C ATOM 71 CG GLU A 8 -5.065 -13.738 4.330 1.00 0.00 C ATOM 72 CD GLU A 8 -3.813 -14.165 5.098 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.403 -13.391 5.990 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.294 -15.256 4.775 1.00 0.00 O ATOM 0 HA GLU A 8 -6.762 -12.958 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.765 -13.251 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.527 -11.858 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.724 -13.171 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.618 -14.621 4.009 1.00 0.00 H new ATOM 81 N GLN A 9 -6.948 -11.101 0.985 1.00 0.00 N ATOM 82 CA GLN A 9 -7.066 -9.907 0.167 1.00 0.00 C ATOM 83 C GLN A 9 -7.243 -8.672 1.053 1.00 0.00 C ATOM 84 O GLN A 9 -7.776 -8.767 2.157 1.00 0.00 O ATOM 85 CB GLN A 9 -8.220 -10.037 -0.829 1.00 0.00 C ATOM 86 CG GLN A 9 -8.093 -11.321 -1.651 1.00 0.00 C ATOM 87 CD GLN A 9 -9.413 -12.094 -1.668 1.00 0.00 C ATOM 88 OE1 GLN A 9 -10.251 -11.962 -0.791 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.551 -12.908 -2.711 1.00 0.00 N ATOM 0 H GLN A 9 -7.826 -11.432 1.385 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.146 -9.790 -0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.169 -10.036 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.229 -9.174 -1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.798 -11.076 -2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.306 -11.948 -1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.811 -12.971 -3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.397 -13.469 -2.812 1.00 0.00 H new ATOM 98 N MET A 10 -6.787 -7.541 0.535 1.00 0.00 N ATOM 99 CA MET A 10 -6.888 -6.289 1.266 1.00 0.00 C ATOM 100 C MET A 10 -6.929 -5.097 0.307 1.00 0.00 C ATOM 101 O MET A 10 -6.074 -4.970 -0.568 1.00 0.00 O ATOM 102 CB MET A 10 -5.689 -6.148 2.206 1.00 0.00 C ATOM 103 CG MET A 10 -5.670 -4.768 2.867 1.00 0.00 C ATOM 104 SD MET A 10 -5.045 -4.898 4.534 1.00 0.00 S ATOM 105 CE MET A 10 -5.505 -3.293 5.163 1.00 0.00 C ATOM 0 H MET A 10 -6.347 -7.465 -0.382 1.00 0.00 H new ATOM 0 HA MET A 10 -7.813 -6.300 1.843 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.730 -6.922 2.973 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.765 -6.301 1.648 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.046 -4.087 2.288 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.675 -4.347 2.879 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.657 -2.851 5.686 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.797 -2.648 4.335 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.342 -3.399 5.853 1.00 0.00 H new ATOM 115 N GLU A 11 -7.932 -4.254 0.505 1.00 0.00 N ATOM 116 CA GLU A 11 -8.095 -3.076 -0.330 1.00 0.00 C ATOM 117 C GLU A 11 -8.638 -1.909 0.497 1.00 0.00 C ATOM 118 O GLU A 11 -9.697 -2.020 1.113 1.00 0.00 O ATOM 119 CB GLU A 11 -9.006 -3.373 -1.523 1.00 0.00 C ATOM 120 CG GLU A 11 -10.313 -4.025 -1.067 1.00 0.00 C ATOM 121 CD GLU A 11 -11.241 -4.284 -2.255 1.00 0.00 C ATOM 122 OE1 GLU A 11 -11.415 -3.339 -3.056 1.00 0.00 O ATOM 123 OE2 GLU A 11 -11.755 -5.420 -2.336 1.00 0.00 O ATOM 0 H GLU A 11 -8.640 -4.363 1.231 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.118 -2.794 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.224 -2.448 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.492 -4.032 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.097 -4.965 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.813 -3.379 -0.345 1.00 0.00 H new ATOM 130 N GLY A 12 -7.888 -0.817 0.485 1.00 0.00 N ATOM 131 CA GLY A 12 -8.280 0.369 1.226 1.00 0.00 C ATOM 132 C GLY A 12 -7.452 1.582 0.798 1.00 0.00 C ATOM 133 O GLY A 12 -6.381 1.432 0.213 1.00 0.00 O ATOM 0 H GLY A 12 -7.010 -0.729 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.339 0.571 1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.150 0.194 2.294 1.00 0.00 H new ATOM 137 N MET A 13 -7.980 2.757 1.107 1.00 0.00 N ATOM 138 CA MET A 13 -7.303 3.996 0.761 1.00 0.00 C ATOM 139 C MET A 13 -5.913 4.056 1.396 1.00 0.00 C ATOM 140 O MET A 13 -5.774 3.919 2.610 1.00 0.00 O ATOM 141 CB MET A 13 -8.137 5.185 1.243 1.00 0.00 C ATOM 142 CG MET A 13 -9.029 5.720 0.121 1.00 0.00 C ATOM 143 SD MET A 13 -8.147 6.948 -0.827 1.00 0.00 S ATOM 144 CE MET A 13 -7.832 6.020 -2.319 1.00 0.00 C ATOM 0 H MET A 13 -8.869 2.878 1.593 1.00 0.00 H new ATOM 0 HA MET A 13 -7.189 4.036 -0.322 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.753 4.882 2.089 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.477 5.977 1.597 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.340 4.902 -0.529 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.935 6.155 0.542 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.756 5.918 -2.464 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.282 5.031 -2.234 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.265 6.544 -3.171 1.00 0.00 H new ATOM 154 N LEU A 14 -4.917 4.261 0.546 1.00 0.00 N ATOM 155 CA LEU A 14 -3.542 4.341 1.008 1.00 0.00 C ATOM 156 C LEU A 14 -2.780 5.357 0.155 1.00 0.00 C ATOM 157 O LEU A 14 -3.147 5.609 -0.992 1.00 0.00 O ATOM 158 CB LEU A 14 -2.902 2.951 1.029 1.00 0.00 C ATOM 159 CG LEU A 14 -2.576 2.384 2.412 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.827 2.327 3.290 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.893 1.019 2.297 1.00 0.00 C ATOM 0 H LEU A 14 -5.036 4.374 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.506 4.698 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.572 2.257 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.981 2.988 0.447 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.871 3.057 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.567 1.920 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.233 3.331 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.574 1.689 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.672 0.638 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.555 0.323 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.965 1.123 1.734 1.00 0.00 H new ATOM 173 N CYS A 15 -1.733 5.912 0.747 1.00 0.00 N ATOM 174 CA CYS A 15 -0.916 6.894 0.056 1.00 0.00 C ATOM 175 C CYS A 15 0.312 6.181 -0.516 1.00 0.00 C ATOM 176 O CYS A 15 1.301 5.980 0.187 1.00 0.00 O ATOM 177 CB CYS A 15 -0.526 8.053 0.975 1.00 0.00 C ATOM 178 SG CYS A 15 -0.619 9.636 0.060 1.00 0.00 S ATOM 0 H CYS A 15 -1.432 5.700 1.698 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.489 7.339 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.191 8.083 1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.484 7.902 1.356 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.288 10.614 0.850 1.00 0.00 H new ATOM 184 N ARG A 16 0.208 5.819 -1.786 1.00 0.00 N ATOM 185 CA ARG A 16 1.297 5.133 -2.460 1.00 0.00 C ATOM 186 C ARG A 16 2.267 6.147 -3.070 1.00 0.00 C ATOM 187 O ARG A 16 1.884 6.936 -3.932 1.00 0.00 O ATOM 188 CB ARG A 16 0.770 4.214 -3.564 1.00 0.00 C ATOM 189 CG ARG A 16 1.919 3.500 -4.279 1.00 0.00 C ATOM 190 CD ARG A 16 1.731 3.541 -5.797 1.00 0.00 C ATOM 191 NE ARG A 16 2.110 4.873 -6.318 1.00 0.00 N ATOM 192 CZ ARG A 16 2.114 5.197 -7.618 1.00 0.00 C ATOM 193 NH1 ARG A 16 1.759 4.289 -8.537 1.00 0.00 N ATOM 194 NH2 ARG A 16 2.473 6.431 -8.000 1.00 0.00 N ATOM 0 H ARG A 16 -0.614 5.988 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 16 1.818 4.528 -1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.090 3.478 -3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.195 4.797 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.866 3.971 -4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.973 2.464 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.341 2.770 -6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.693 3.325 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 16 2.385 5.589 -5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.485 3.350 -8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.762 4.537 -9.526 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.743 7.123 -7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.476 6.678 -8.990 1.00 0.00 H new ATOM 208 N LYS A 17 3.503 6.093 -2.597 1.00 0.00 N ATOM 209 CA LYS A 17 4.531 6.998 -3.085 1.00 0.00 C ATOM 210 C LYS A 17 5.683 6.182 -3.676 1.00 0.00 C ATOM 211 O LYS A 17 6.520 5.661 -2.941 1.00 0.00 O ATOM 212 CB LYS A 17 4.964 7.963 -1.980 1.00 0.00 C ATOM 213 CG LYS A 17 6.027 8.938 -2.489 1.00 0.00 C ATOM 214 CD LYS A 17 7.110 9.170 -1.433 1.00 0.00 C ATOM 215 CE LYS A 17 8.486 9.325 -2.084 1.00 0.00 C ATOM 216 NZ LYS A 17 9.462 9.862 -1.109 1.00 0.00 N ATOM 0 H LYS A 17 3.816 5.437 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 17 4.139 7.624 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.099 8.519 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.357 7.400 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.480 8.545 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.559 9.887 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.874 10.064 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.126 8.334 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.829 8.360 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.416 9.993 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.417 9.536 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.435 10.901 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.220 9.527 -0.155 1.00 0.00 H new ATOM 230 N GLN A 18 5.689 6.098 -4.998 1.00 0.00 N ATOM 231 CA GLN A 18 6.724 5.355 -5.696 1.00 0.00 C ATOM 232 C GLN A 18 8.079 6.047 -5.528 1.00 0.00 C ATOM 233 O GLN A 18 8.303 7.122 -6.082 1.00 0.00 O ATOM 234 CB GLN A 18 6.375 5.186 -7.176 1.00 0.00 C ATOM 235 CG GLN A 18 7.521 4.517 -7.937 1.00 0.00 C ATOM 236 CD GLN A 18 7.049 4.005 -9.300 1.00 0.00 C ATOM 237 OE1 GLN A 18 6.216 4.602 -9.962 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.627 2.869 -9.680 1.00 0.00 N ATOM 0 H GLN A 18 4.993 6.532 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 18 6.789 4.360 -5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.470 4.586 -7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.161 6.160 -7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.336 5.228 -8.074 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.917 3.688 -7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.317 2.421 -9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.380 2.446 -10.574 1.00 0.00 H new ATOM 247 N GLU A 19 8.946 5.402 -4.762 1.00 0.00 N ATOM 248 CA GLU A 19 10.272 5.942 -4.514 1.00 0.00 C ATOM 249 C GLU A 19 11.228 5.536 -5.637 1.00 0.00 C ATOM 250 O GLU A 19 11.846 6.391 -6.270 1.00 0.00 O ATOM 251 CB GLU A 19 10.802 5.489 -3.152 1.00 0.00 C ATOM 252 CG GLU A 19 9.943 6.047 -2.016 1.00 0.00 C ATOM 253 CD GLU A 19 10.639 7.224 -1.329 1.00 0.00 C ATOM 254 OE1 GLU A 19 11.197 8.064 -2.068 1.00 0.00 O ATOM 255 OE2 GLU A 19 10.599 7.256 -0.080 1.00 0.00 O ATOM 0 H GLU A 19 8.756 4.510 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 19 10.203 7.030 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.811 4.400 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.833 5.821 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.979 6.369 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.744 5.262 -1.287 1.00 0.00 H new ATOM 262 N MET A 20 11.321 4.232 -5.850 1.00 0.00 N ATOM 263 CA MET A 20 12.191 3.703 -6.886 1.00 0.00 C ATOM 264 C MET A 20 11.398 2.878 -7.902 1.00 0.00 C ATOM 265 O MET A 20 10.287 2.434 -7.613 1.00 0.00 O ATOM 266 CB MET A 20 13.270 2.826 -6.248 1.00 0.00 C ATOM 267 CG MET A 20 14.208 3.660 -5.373 1.00 0.00 C ATOM 268 SD MET A 20 15.237 4.698 -6.399 1.00 0.00 S ATOM 269 CE MET A 20 16.459 3.505 -6.920 1.00 0.00 C ATOM 0 H MET A 20 10.808 3.526 -5.322 1.00 0.00 H new ATOM 0 HA MET A 20 12.652 4.541 -7.408 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.802 2.047 -5.646 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.844 2.325 -7.027 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.627 4.275 -4.686 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.831 3.004 -4.765 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.165 3.981 -7.601 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.994 3.128 -6.048 1.00 0.00 H new ATOM 0 HE3 MET A 20 15.965 2.677 -7.429 1.00 0.00 H new ATOM 279 N GLU A 21 11.998 2.699 -9.069 1.00 0.00 N ATOM 280 CA GLU A 21 11.361 1.935 -10.129 1.00 0.00 C ATOM 281 C GLU A 21 12.102 0.615 -10.351 1.00 0.00 C ATOM 282 O GLU A 21 11.602 -0.274 -11.038 1.00 0.00 O ATOM 283 CB GLU A 21 11.289 2.748 -11.423 1.00 0.00 C ATOM 284 CG GLU A 21 11.043 1.839 -12.628 1.00 0.00 C ATOM 285 CD GLU A 21 10.403 2.616 -13.780 1.00 0.00 C ATOM 286 OE1 GLU A 21 9.168 2.799 -13.724 1.00 0.00 O ATOM 287 OE2 GLU A 21 11.164 3.010 -14.691 1.00 0.00 O ATOM 0 H GLU A 21 12.919 3.070 -9.305 1.00 0.00 H new ATOM 0 HA GLU A 21 10.339 1.708 -9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.489 3.485 -11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.219 3.299 -11.563 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.986 1.404 -12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.395 1.012 -12.338 1.00 0.00 H new ATOM 294 N ALA A 22 13.283 0.529 -9.756 1.00 0.00 N ATOM 295 CA ALA A 22 14.098 -0.668 -9.880 1.00 0.00 C ATOM 296 C ALA A 22 15.460 -0.422 -9.230 1.00 0.00 C ATOM 297 O ALA A 22 15.762 0.697 -8.816 1.00 0.00 O ATOM 298 CB ALA A 22 14.218 -1.053 -11.356 1.00 0.00 C ATOM 0 H ALA A 22 13.695 1.268 -9.187 1.00 0.00 H new ATOM 0 HA ALA A 22 13.631 -1.505 -9.361 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.829 -1.951 -11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.226 -1.246 -11.764 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.685 -0.237 -11.908 1.00 0.00 H new ATOM 304 N PHE A 23 16.247 -1.485 -9.158 1.00 0.00 N ATOM 305 CA PHE A 23 17.571 -1.399 -8.565 1.00 0.00 C ATOM 306 C PHE A 23 18.330 -0.180 -9.093 1.00 0.00 C ATOM 307 O PHE A 23 18.597 -0.081 -10.290 1.00 0.00 O ATOM 308 CB PHE A 23 18.325 -2.668 -8.966 1.00 0.00 C ATOM 309 CG PHE A 23 17.616 -3.964 -8.571 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.356 -4.226 -7.262 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.244 -4.856 -9.529 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.698 -5.429 -6.895 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.586 -6.059 -9.162 1.00 0.00 C ATOM 314 CZ PHE A 23 16.327 -6.321 -7.853 1.00 0.00 C ATOM 0 H PHE A 23 15.993 -2.412 -9.501 1.00 0.00 H new ATOM 0 HA PHE A 23 17.488 -1.301 -7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.476 -2.663 -10.046 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.313 -2.652 -8.506 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.650 -3.518 -6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.449 -4.649 -10.569 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.492 -5.636 -5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.291 -6.767 -9.923 1.00 0.00 H new ATOM 0 HZ PHE A 23 15.827 -7.237 -7.574 1.00 0.00 H new ATOM 324 N GLY A 24 18.656 0.718 -8.175 1.00 0.00 N ATOM 325 CA GLY A 24 19.380 1.926 -8.534 1.00 0.00 C ATOM 326 C GLY A 24 18.610 2.736 -9.579 1.00 0.00 C ATOM 327 O GLY A 24 19.173 3.620 -10.223 1.00 0.00 O ATOM 0 H GLY A 24 18.432 0.633 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.543 2.535 -7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.363 1.663 -8.925 1.00 0.00 H new ATOM 331 N LYS A 25 17.334 2.406 -9.715 1.00 0.00 N ATOM 332 CA LYS A 25 16.481 3.092 -10.671 1.00 0.00 C ATOM 333 C LYS A 25 15.577 4.076 -9.926 1.00 0.00 C ATOM 334 O LYS A 25 14.885 3.697 -8.982 1.00 0.00 O ATOM 335 CB LYS A 25 15.716 2.081 -11.528 1.00 0.00 C ATOM 336 CG LYS A 25 14.606 2.768 -12.326 1.00 0.00 C ATOM 337 CD LYS A 25 15.035 2.997 -13.776 1.00 0.00 C ATOM 338 CE LYS A 25 15.702 4.364 -13.941 1.00 0.00 C ATOM 339 NZ LYS A 25 16.853 4.270 -14.867 1.00 0.00 N ATOM 0 H LYS A 25 16.870 1.673 -9.179 1.00 0.00 H new ATOM 0 HA LYS A 25 17.082 3.676 -11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.404 1.583 -12.210 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.286 1.309 -10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.704 2.156 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.357 3.722 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.726 2.212 -14.083 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.166 2.931 -14.431 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.979 5.085 -14.322 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.037 4.731 -12.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.295 5.206 -14.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.550 3.598 -14.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.524 3.940 -15.797 1.00 0.00 H new ATOM 353 N LYS A 26 15.612 5.321 -10.380 1.00 0.00 N ATOM 354 CA LYS A 26 14.804 6.362 -9.769 1.00 0.00 C ATOM 355 C LYS A 26 13.480 6.486 -10.526 1.00 0.00 C ATOM 356 O LYS A 26 13.458 6.439 -11.755 1.00 0.00 O ATOM 357 CB LYS A 26 15.590 7.672 -9.687 1.00 0.00 C ATOM 358 CG LYS A 26 15.798 8.274 -11.079 1.00 0.00 C ATOM 359 CD LYS A 26 17.281 8.283 -11.456 1.00 0.00 C ATOM 360 CE LYS A 26 17.460 8.415 -12.970 1.00 0.00 C ATOM 361 NZ LYS A 26 18.356 9.549 -13.289 1.00 0.00 N ATOM 0 H LYS A 26 16.187 5.631 -11.163 1.00 0.00 H new ATOM 0 HA LYS A 26 14.559 6.099 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.056 8.382 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.557 7.492 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.235 7.700 -11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.407 9.291 -11.101 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.783 9.110 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.754 7.364 -11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.874 7.492 -13.375 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.491 8.565 -13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.467 9.624 -14.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.946 10.430 -12.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.286 9.390 -12.852 1.00 0.00 H new ATOM 375 N ALA A 27 12.409 6.641 -9.761 1.00 0.00 N ATOM 376 CA ALA A 27 11.085 6.772 -10.345 1.00 0.00 C ATOM 377 C ALA A 27 10.894 8.203 -10.849 1.00 0.00 C ATOM 378 O ALA A 27 11.285 9.159 -10.180 1.00 0.00 O ATOM 379 CB ALA A 27 10.030 6.371 -9.312 1.00 0.00 C ATOM 0 H ALA A 27 12.431 6.679 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 27 10.974 6.105 -11.200 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.037 6.469 -9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.192 5.337 -9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.108 7.021 -8.441 1.00 0.00 H new ATOM 385 N ALA A 28 10.292 8.307 -12.026 1.00 0.00 N ATOM 386 CA ALA A 28 10.044 9.606 -12.627 1.00 0.00 C ATOM 387 C ALA A 28 9.605 10.591 -11.542 1.00 0.00 C ATOM 388 O ALA A 28 10.355 11.495 -11.178 1.00 0.00 O ATOM 389 CB ALA A 28 9.005 9.463 -13.741 1.00 0.00 C ATOM 0 H ALA A 28 9.969 7.513 -12.579 1.00 0.00 H new ATOM 0 HA ALA A 28 10.954 10.000 -13.079 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.819 10.438 -14.192 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.379 8.777 -14.501 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.076 9.073 -13.325 1.00 0.00 H new ATOM 395 N ASN A 29 8.390 10.382 -11.055 1.00 0.00 N ATOM 396 CA ASN A 29 7.842 11.239 -10.018 1.00 0.00 C ATOM 397 C ASN A 29 7.708 10.441 -8.720 1.00 0.00 C ATOM 398 O ASN A 29 7.132 9.354 -8.712 1.00 0.00 O ATOM 399 CB ASN A 29 6.452 11.750 -10.405 1.00 0.00 C ATOM 400 CG ASN A 29 6.484 13.250 -10.707 1.00 0.00 C ATOM 401 OD1 ASN A 29 6.396 13.682 -11.844 1.00 0.00 O ATOM 402 ND2 ASN A 29 6.615 14.016 -9.628 1.00 0.00 N ATOM 0 H ASN A 29 7.770 9.631 -11.360 1.00 0.00 H new ATOM 0 HA ASN A 29 8.516 12.086 -9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.091 11.207 -11.279 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.750 11.553 -9.595 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.647 15.031 -9.724 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.683 13.589 -8.704 1.00 0.00 H new ATOM 409 N ARG A 30 8.248 11.012 -7.653 1.00 0.00 N ATOM 410 CA ARG A 30 8.196 10.367 -6.352 1.00 0.00 C ATOM 411 C ARG A 30 7.437 11.245 -5.355 1.00 0.00 C ATOM 412 O ARG A 30 7.983 11.633 -4.323 1.00 0.00 O ATOM 413 CB ARG A 30 9.603 10.096 -5.815 1.00 0.00 C ATOM 414 CG ARG A 30 10.372 9.154 -6.743 1.00 0.00 C ATOM 415 CD ARG A 30 11.862 9.503 -6.767 1.00 0.00 C ATOM 416 NE ARG A 30 12.093 10.675 -7.640 1.00 0.00 N ATOM 417 CZ ARG A 30 13.194 11.439 -7.597 1.00 0.00 C ATOM 418 NH1 ARG A 30 14.169 11.158 -6.722 1.00 0.00 N ATOM 419 NH2 ARG A 30 13.318 12.483 -8.427 1.00 0.00 N ATOM 0 H ARG A 30 8.724 11.914 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 30 7.677 9.416 -6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.145 11.036 -5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.538 9.658 -4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.241 8.124 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.964 9.218 -7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.210 9.718 -5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.438 8.651 -7.128 1.00 0.00 H new ATOM 0 HE ARG A 30 11.369 10.917 -8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.073 10.364 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.007 11.739 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.575 12.697 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.156 13.064 -8.394 1.00 0.00 H new ATOM 433 N SER A 31 6.190 11.532 -5.698 1.00 0.00 N ATOM 434 CA SER A 31 5.351 12.357 -4.845 1.00 0.00 C ATOM 435 C SER A 31 4.275 11.496 -4.181 1.00 0.00 C ATOM 436 O SER A 31 3.983 10.394 -4.643 1.00 0.00 O ATOM 437 CB SER A 31 4.706 13.493 -5.641 1.00 0.00 C ATOM 438 OG SER A 31 5.663 14.219 -6.407 1.00 0.00 O ATOM 0 H SER A 31 5.740 11.208 -6.554 1.00 0.00 H new ATOM 0 HA SER A 31 5.979 12.802 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.945 13.083 -6.306 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.199 14.173 -4.956 1.00 0.00 H new ATOM 0 HG SER A 31 5.211 14.934 -6.902 1.00 0.00 H new ATOM 444 N TRP A 32 3.713 12.032 -3.107 1.00 0.00 N ATOM 445 CA TRP A 32 2.676 11.327 -2.374 1.00 0.00 C ATOM 446 C TRP A 32 1.345 11.565 -3.091 1.00 0.00 C ATOM 447 O TRP A 32 0.983 12.707 -3.372 1.00 0.00 O ATOM 448 CB TRP A 32 2.650 11.760 -0.907 1.00 0.00 C ATOM 449 CG TRP A 32 3.811 11.212 -0.075 1.00 0.00 C ATOM 450 CD1 TRP A 32 5.004 11.779 0.151 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.842 9.957 0.636 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.799 10.985 0.952 1.00 0.00 N ATOM 453 CE2 TRP A 32 5.069 9.841 1.257 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.865 8.952 0.752 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.433 8.737 2.036 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.245 7.855 1.534 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.476 7.723 2.165 1.00 0.00 C ATOM 0 H TRP A 32 3.957 12.947 -2.727 1.00 0.00 H new ATOM 0 HA TRP A 32 2.876 10.256 -2.358 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.665 12.849 -0.860 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.711 11.435 -0.460 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.306 12.738 -0.244 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.747 11.198 1.263 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.898 9.021 0.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.400 8.671 2.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.531 7.054 1.656 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.693 6.843 2.752 1.00 0.00 H new ATOM 468 N GLN A 33 0.654 10.469 -3.367 1.00 0.00 N ATOM 469 CA GLN A 33 -0.628 10.545 -4.046 1.00 0.00 C ATOM 470 C GLN A 33 -1.592 9.501 -3.477 1.00 0.00 C ATOM 471 O GLN A 33 -1.205 8.359 -3.237 1.00 0.00 O ATOM 472 CB GLN A 33 -0.460 10.369 -5.556 1.00 0.00 C ATOM 473 CG GLN A 33 0.156 11.619 -6.188 1.00 0.00 C ATOM 474 CD GLN A 33 0.928 11.266 -7.461 1.00 0.00 C ATOM 475 OE1 GLN A 33 1.151 10.111 -7.783 1.00 0.00 O ATOM 476 NE2 GLN A 33 1.321 12.323 -8.166 1.00 0.00 N ATOM 0 H GLN A 33 0.958 9.524 -3.133 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.050 11.535 -3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.174 9.505 -5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.429 10.166 -6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.630 12.337 -6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.825 12.100 -5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.101 13.264 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.842 12.193 -9.033 1.00 0.00 H new ATOM 485 N ASN A 34 -2.829 9.932 -3.278 1.00 0.00 N ATOM 486 CA ASN A 34 -3.852 9.049 -2.741 1.00 0.00 C ATOM 487 C ASN A 34 -4.180 7.969 -3.774 1.00 0.00 C ATOM 488 O ASN A 34 -4.868 8.235 -4.758 1.00 0.00 O ATOM 489 CB ASN A 34 -5.139 9.818 -2.436 1.00 0.00 C ATOM 490 CG ASN A 34 -5.661 10.531 -3.686 1.00 0.00 C ATOM 491 OD1 ASN A 34 -5.025 11.413 -4.240 1.00 0.00 O ATOM 492 ND2 ASN A 34 -6.851 10.101 -4.096 1.00 0.00 N ATOM 0 H ASN A 34 -3.146 10.880 -3.479 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.468 8.609 -1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.898 9.131 -2.062 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.953 10.548 -1.648 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.286 10.514 -4.921 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.329 9.359 -3.585 1.00 0.00 H new ATOM 499 N VAL A 35 -3.672 6.773 -3.514 1.00 0.00 N ATOM 500 CA VAL A 35 -3.903 5.652 -4.409 1.00 0.00 C ATOM 501 C VAL A 35 -4.469 4.476 -3.611 1.00 0.00 C ATOM 502 O VAL A 35 -3.845 4.009 -2.659 1.00 0.00 O ATOM 503 CB VAL A 35 -2.612 5.303 -5.154 1.00 0.00 C ATOM 504 CG1 VAL A 35 -2.868 4.243 -6.227 1.00 0.00 C ATOM 505 CG2 VAL A 35 -1.973 6.554 -5.760 1.00 0.00 C ATOM 0 H VAL A 35 -3.102 6.556 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.640 5.915 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.911 4.886 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.935 4.013 -6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.257 3.338 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.595 4.621 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.058 6.278 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.668 7.014 -6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.737 7.263 -4.966 1.00 0.00 H new ATOM 515 N TYR A 36 -5.646 4.032 -4.027 1.00 0.00 N ATOM 516 CA TYR A 36 -6.303 2.919 -3.363 1.00 0.00 C ATOM 517 C TYR A 36 -5.593 1.599 -3.671 1.00 0.00 C ATOM 518 O TYR A 36 -5.611 1.131 -4.808 1.00 0.00 O ATOM 519 CB TYR A 36 -7.722 2.866 -3.933 1.00 0.00 C ATOM 520 CG TYR A 36 -8.657 1.912 -3.188 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.179 2.274 -1.963 1.00 0.00 C ATOM 522 CD2 TYR A 36 -8.979 0.689 -3.741 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.059 1.376 -1.261 1.00 0.00 C ATOM 524 CE2 TYR A 36 -9.860 -0.209 -3.040 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.356 0.179 -1.834 1.00 0.00 C ATOM 526 OH TYR A 36 -11.187 -0.669 -1.172 1.00 0.00 O ATOM 0 H TYR A 36 -6.162 4.423 -4.816 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.291 3.057 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.149 3.869 -3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.671 2.565 -4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.927 3.231 -1.531 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.570 0.405 -4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.474 1.647 -0.301 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.121 -1.168 -3.462 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.298 -1.492 -1.693 1.00 0.00 H new ATOM 536 N CYS A 37 -4.985 1.037 -2.637 1.00 0.00 N ATOM 537 CA CYS A 37 -4.270 -0.220 -2.783 1.00 0.00 C ATOM 538 C CYS A 37 -5.298 -1.351 -2.857 1.00 0.00 C ATOM 539 O CYS A 37 -6.211 -1.420 -2.036 1.00 0.00 O ATOM 540 CB CYS A 37 -3.266 -0.435 -1.648 1.00 0.00 C ATOM 541 SG CYS A 37 -1.559 -0.380 -2.305 1.00 0.00 S ATOM 0 H CYS A 37 -4.972 1.428 -1.695 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.683 -0.203 -3.701 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.396 0.333 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.449 -1.396 -1.167 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.991 0.732 -1.944 1.00 0.00 H new ATOM 547 N VAL A 38 -5.114 -2.210 -3.849 1.00 0.00 N ATOM 548 CA VAL A 38 -6.013 -3.335 -4.041 1.00 0.00 C ATOM 549 C VAL A 38 -5.194 -4.620 -4.179 1.00 0.00 C ATOM 550 O VAL A 38 -4.579 -4.860 -5.216 1.00 0.00 O ATOM 551 CB VAL A 38 -6.926 -3.076 -5.242 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.795 -4.299 -5.544 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.788 -1.833 -5.017 1.00 0.00 C ATOM 0 H VAL A 38 -4.356 -2.149 -4.528 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.663 -3.456 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.293 -2.892 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.434 -4.088 -6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.156 -5.153 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.415 -4.528 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.427 -1.672 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.408 -1.975 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.144 -0.965 -4.874 1.00 0.00 H new ATOM 563 N LEU A 39 -5.213 -5.413 -3.117 1.00 0.00 N ATOM 564 CA LEU A 39 -4.480 -6.667 -3.107 1.00 0.00 C ATOM 565 C LEU A 39 -5.423 -7.807 -3.496 1.00 0.00 C ATOM 566 O LEU A 39 -6.555 -7.872 -3.019 1.00 0.00 O ATOM 567 CB LEU A 39 -3.791 -6.873 -1.757 1.00 0.00 C ATOM 568 CG LEU A 39 -2.891 -8.106 -1.644 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.419 -7.702 -1.544 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.322 -8.995 -0.477 1.00 0.00 C ATOM 0 H LEU A 39 -5.725 -5.211 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.681 -6.647 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.192 -5.989 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.559 -6.936 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.002 -8.695 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.801 -8.596 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.134 -7.142 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.272 -7.080 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.666 -9.864 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.259 -8.430 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.349 -9.326 -0.632 1.00 0.00 H new ATOM 582 N ARG A 40 -4.922 -8.679 -4.359 1.00 0.00 N ATOM 583 CA ARG A 40 -5.705 -9.813 -4.818 1.00 0.00 C ATOM 584 C ARG A 40 -4.835 -10.757 -5.651 1.00 0.00 C ATOM 585 O ARG A 40 -3.953 -10.310 -6.383 1.00 0.00 O ATOM 586 CB ARG A 40 -6.898 -9.354 -5.660 1.00 0.00 C ATOM 587 CG ARG A 40 -8.156 -10.149 -5.307 1.00 0.00 C ATOM 588 CD ARG A 40 -9.184 -9.263 -4.599 1.00 0.00 C ATOM 589 NE ARG A 40 -10.348 -10.075 -4.180 1.00 0.00 N ATOM 590 CZ ARG A 40 -11.462 -9.565 -3.637 1.00 0.00 C ATOM 591 NH1 ARG A 40 -11.570 -8.244 -3.444 1.00 0.00 N ATOM 592 NH2 ARG A 40 -12.469 -10.377 -3.287 1.00 0.00 N ATOM 0 H ARG A 40 -3.983 -8.623 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.076 -10.338 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.077 -8.291 -5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.670 -9.478 -6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.593 -10.566 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.891 -10.989 -4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.730 -8.788 -3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.508 -8.464 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.299 -11.085 -4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.804 -7.625 -3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.418 -7.857 -3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.387 -11.383 -3.434 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.317 -9.989 -2.874 1.00 0.00 H new ATOM 606 N ARG A 41 -5.114 -12.045 -5.511 1.00 0.00 N ATOM 607 CA ARG A 41 -4.368 -13.055 -6.241 1.00 0.00 C ATOM 608 C ARG A 41 -2.866 -12.873 -6.014 1.00 0.00 C ATOM 609 O ARG A 41 -2.052 -13.354 -6.802 1.00 0.00 O ATOM 610 CB ARG A 41 -4.663 -12.982 -7.740 1.00 0.00 C ATOM 611 CG ARG A 41 -5.174 -14.325 -8.265 1.00 0.00 C ATOM 612 CD ARG A 41 -4.697 -14.571 -9.698 1.00 0.00 C ATOM 613 NE ARG A 41 -5.629 -15.489 -10.390 1.00 0.00 N ATOM 614 CZ ARG A 41 -6.720 -15.090 -11.058 1.00 0.00 C ATOM 615 NH1 ARG A 41 -7.023 -13.786 -11.127 1.00 0.00 N ATOM 616 NH2 ARG A 41 -7.508 -15.993 -11.656 1.00 0.00 N ATOM 0 H ARG A 41 -5.846 -12.412 -4.903 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.680 -14.031 -5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.405 -12.207 -7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.759 -12.697 -8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.824 -15.129 -7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.263 -14.341 -8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.637 -13.626 -10.237 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.694 -14.997 -9.688 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.428 -16.488 -10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.423 -13.098 -10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.853 -13.482 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.278 -16.985 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.338 -15.688 -12.164 1.00 0.00 H new ATOM 630 N GLY A 42 -2.543 -12.178 -4.934 1.00 0.00 N ATOM 631 CA GLY A 42 -1.153 -11.926 -4.593 1.00 0.00 C ATOM 632 C GLY A 42 -0.573 -10.799 -5.451 1.00 0.00 C ATOM 633 O GLY A 42 0.617 -10.800 -5.762 1.00 0.00 O ATOM 0 H GLY A 42 -3.220 -11.781 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.076 -11.661 -3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.569 -12.835 -4.737 1.00 0.00 H new ATOM 637 N SER A 43 -1.442 -9.866 -5.810 1.00 0.00 N ATOM 638 CA SER A 43 -1.032 -8.735 -6.625 1.00 0.00 C ATOM 639 C SER A 43 -1.595 -7.438 -6.043 1.00 0.00 C ATOM 640 O SER A 43 -2.778 -7.363 -5.714 1.00 0.00 O ATOM 641 CB SER A 43 -1.488 -8.908 -8.076 1.00 0.00 C ATOM 642 OG SER A 43 -2.907 -8.872 -8.197 1.00 0.00 O ATOM 0 H SER A 43 -2.429 -9.870 -5.551 1.00 0.00 H new ATOM 0 HA SER A 43 0.057 -8.686 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.052 -8.120 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.115 -9.856 -8.463 1.00 0.00 H new ATOM 0 HG SER A 43 -3.295 -9.635 -7.721 1.00 0.00 H new ATOM 648 N LEU A 44 -0.722 -6.447 -5.933 1.00 0.00 N ATOM 649 CA LEU A 44 -1.118 -5.157 -5.396 1.00 0.00 C ATOM 650 C LEU A 44 -1.481 -4.219 -6.549 1.00 0.00 C ATOM 651 O LEU A 44 -0.613 -3.813 -7.320 1.00 0.00 O ATOM 652 CB LEU A 44 -0.030 -4.604 -4.473 1.00 0.00 C ATOM 653 CG LEU A 44 -0.381 -3.322 -3.715 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.622 -3.522 -2.844 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.815 -2.820 -2.903 1.00 0.00 C ATOM 0 H LEU A 44 0.258 -6.512 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.008 -5.260 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.227 -5.374 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.864 -4.417 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.622 -2.549 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.849 -2.596 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.468 -3.798 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.435 -4.315 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.539 -1.908 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.111 -3.582 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.649 -2.612 -3.574 1.00 0.00 H new ATOM 667 N GLY A 45 -2.765 -3.903 -6.631 1.00 0.00 N ATOM 668 CA GLY A 45 -3.254 -3.021 -7.677 1.00 0.00 C ATOM 669 C GLY A 45 -3.474 -1.605 -7.141 1.00 0.00 C ATOM 670 O GLY A 45 -3.677 -1.415 -5.943 1.00 0.00 O ATOM 0 H GLY A 45 -3.482 -4.242 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.539 -2.995 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.189 -3.411 -8.079 1.00 0.00 H new ATOM 674 N PHE A 46 -3.426 -0.647 -8.055 1.00 0.00 N ATOM 675 CA PHE A 46 -3.617 0.746 -7.690 1.00 0.00 C ATOM 676 C PHE A 46 -4.837 1.337 -8.401 1.00 0.00 C ATOM 677 O PHE A 46 -5.074 1.053 -9.574 1.00 0.00 O ATOM 678 CB PHE A 46 -2.365 1.503 -8.139 1.00 0.00 C ATOM 679 CG PHE A 46 -1.061 0.937 -7.574 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.872 0.876 -6.228 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.090 0.494 -8.417 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.338 0.351 -5.704 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.121 -0.031 -7.892 1.00 0.00 C ATOM 684 CZ PHE A 46 1.309 -0.092 -6.547 1.00 0.00 C ATOM 0 H PHE A 46 -3.258 -0.808 -9.048 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.779 0.829 -6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.314 1.488 -9.228 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.457 2.547 -7.839 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.643 1.227 -5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.240 0.541 -9.486 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.488 0.303 -4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.892 -0.382 -8.561 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.229 -0.492 -6.148 1.00 0.00 H new ATOM 694 N TYR A 47 -5.578 2.148 -7.660 1.00 0.00 N ATOM 695 CA TYR A 47 -6.767 2.781 -8.205 1.00 0.00 C ATOM 696 C TYR A 47 -6.993 4.157 -7.575 1.00 0.00 C ATOM 697 O TYR A 47 -6.378 4.489 -6.563 1.00 0.00 O ATOM 698 CB TYR A 47 -7.938 1.867 -7.836 1.00 0.00 C ATOM 699 CG TYR A 47 -7.828 0.453 -8.412 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.908 -0.434 -7.892 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.649 0.066 -9.452 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.805 -1.765 -8.434 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.547 -1.264 -9.993 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.630 -2.114 -9.458 1.00 0.00 C ATOM 705 OH TYR A 47 -7.532 -3.370 -9.970 1.00 0.00 O ATOM 0 H TYR A 47 -5.378 2.381 -6.687 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.668 2.921 -9.281 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.007 1.802 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.865 2.321 -8.187 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.265 -0.131 -7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.368 0.761 -9.860 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.089 -2.469 -8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.184 -1.580 -10.806 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.182 -3.479 -10.695 1.00 0.00 H new ATOM 715 N LYS A 48 -7.877 4.920 -8.200 1.00 0.00 N ATOM 716 CA LYS A 48 -8.192 6.253 -7.714 1.00 0.00 C ATOM 717 C LYS A 48 -8.703 6.158 -6.275 1.00 0.00 C ATOM 718 O LYS A 48 -8.113 6.736 -5.364 1.00 0.00 O ATOM 719 CB LYS A 48 -9.161 6.956 -8.666 1.00 0.00 C ATOM 720 CG LYS A 48 -9.445 8.386 -8.203 1.00 0.00 C ATOM 721 CD LYS A 48 -9.519 9.344 -9.394 1.00 0.00 C ATOM 722 CE LYS A 48 -10.955 9.470 -9.907 1.00 0.00 C ATOM 723 NZ LYS A 48 -11.270 8.367 -10.841 1.00 0.00 N ATOM 0 H LYS A 48 -8.385 4.641 -9.039 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.296 6.873 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.741 6.972 -9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.094 6.395 -8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.384 8.413 -7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.663 8.712 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.147 10.325 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.873 8.985 -10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.650 9.453 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.085 10.428 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.539 8.761 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.434 7.758 -10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.059 7.805 -10.462 1.00 0.00 H new ATOM 737 N ASP A 49 -9.796 5.426 -6.116 1.00 0.00 N ATOM 738 CA ASP A 49 -10.393 5.248 -4.803 1.00 0.00 C ATOM 739 C ASP A 49 -11.161 3.925 -4.772 1.00 0.00 C ATOM 740 O ASP A 49 -11.138 3.167 -5.740 1.00 0.00 O ATOM 741 CB ASP A 49 -11.380 6.375 -4.491 1.00 0.00 C ATOM 742 CG ASP A 49 -11.923 7.117 -5.713 1.00 0.00 C ATOM 743 OD1 ASP A 49 -12.304 6.419 -6.678 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.946 8.365 -5.656 1.00 0.00 O ATOM 0 H ASP A 49 -10.284 4.949 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.592 5.254 -4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.220 5.958 -3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.890 7.095 -3.836 1.00 0.00 H new ATOM 749 N ALA A 50 -11.824 3.689 -3.649 1.00 0.00 N ATOM 750 CA ALA A 50 -12.597 2.471 -3.479 1.00 0.00 C ATOM 751 C ALA A 50 -13.759 2.466 -4.475 1.00 0.00 C ATOM 752 O ALA A 50 -14.338 1.417 -4.753 1.00 0.00 O ATOM 753 CB ALA A 50 -13.072 2.366 -2.028 1.00 0.00 C ATOM 0 H ALA A 50 -11.842 4.321 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.983 1.595 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.652 1.452 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.208 2.344 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.694 3.227 -1.786 1.00 0.00 H new ATOM 759 N LYS A 51 -14.065 3.650 -4.984 1.00 0.00 N ATOM 760 CA LYS A 51 -15.147 3.796 -5.942 1.00 0.00 C ATOM 761 C LYS A 51 -14.622 3.493 -7.347 1.00 0.00 C ATOM 762 O LYS A 51 -15.402 3.226 -8.260 1.00 0.00 O ATOM 763 CB LYS A 51 -15.796 5.175 -5.812 1.00 0.00 C ATOM 764 CG LYS A 51 -16.482 5.333 -4.453 1.00 0.00 C ATOM 765 CD LYS A 51 -18.000 5.200 -4.587 1.00 0.00 C ATOM 766 CE LYS A 51 -18.699 5.553 -3.272 1.00 0.00 C ATOM 767 NZ LYS A 51 -19.361 6.872 -3.375 1.00 0.00 N ATOM 0 H LYS A 51 -13.582 4.518 -4.751 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.939 3.076 -5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.039 5.950 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.525 5.314 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.107 4.578 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.235 6.306 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.358 5.856 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.255 4.181 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.436 4.788 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.973 5.567 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -19.830 7.096 -2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.650 7.602 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.068 6.847 -4.137 1.00 0.00 H new ATOM 781 N ALA A 52 -13.305 3.546 -7.476 1.00 0.00 N ATOM 782 CA ALA A 52 -12.667 3.280 -8.754 1.00 0.00 C ATOM 783 C ALA A 52 -12.235 1.813 -8.809 1.00 0.00 C ATOM 784 O ALA A 52 -12.015 1.268 -9.889 1.00 0.00 O ATOM 785 CB ALA A 52 -11.492 4.241 -8.948 1.00 0.00 C ATOM 0 H ALA A 52 -12.662 3.769 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.366 3.449 -9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.013 4.042 -9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.856 5.268 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.769 4.099 -8.145 1.00 0.00 H new ATOM 791 N ALA A 53 -12.128 1.217 -7.631 1.00 0.00 N ATOM 792 CA ALA A 53 -11.726 -0.176 -7.532 1.00 0.00 C ATOM 793 C ALA A 53 -12.928 -1.072 -7.839 1.00 0.00 C ATOM 794 O ALA A 53 -12.802 -2.058 -8.564 1.00 0.00 O ATOM 795 CB ALA A 53 -11.142 -0.441 -6.143 1.00 0.00 C ATOM 0 H ALA A 53 -12.312 1.673 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.949 -0.404 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.840 -1.486 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.274 0.199 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.895 -0.226 -5.385 1.00 0.00 H new ATOM 801 N SER A 54 -14.065 -0.697 -7.273 1.00 0.00 N ATOM 802 CA SER A 54 -15.289 -1.454 -7.478 1.00 0.00 C ATOM 803 C SER A 54 -15.767 -1.294 -8.922 1.00 0.00 C ATOM 804 O SER A 54 -16.438 -2.175 -9.459 1.00 0.00 O ATOM 805 CB SER A 54 -16.382 -1.008 -6.504 1.00 0.00 C ATOM 806 OG SER A 54 -17.318 -2.050 -6.240 1.00 0.00 O ATOM 0 H SER A 54 -14.165 0.121 -6.672 1.00 0.00 H new ATOM 0 HA SER A 54 -15.077 -2.506 -7.287 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.925 -0.686 -5.569 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.906 -0.146 -6.917 1.00 0.00 H new ATOM 0 HG SER A 54 -17.999 -1.727 -5.613 1.00 0.00 H new ATOM 812 N ALA A 55 -15.404 -0.164 -9.511 1.00 0.00 N ATOM 813 CA ALA A 55 -15.788 0.123 -10.882 1.00 0.00 C ATOM 814 C ALA A 55 -14.736 -0.453 -11.833 1.00 0.00 C ATOM 815 O ALA A 55 -14.897 -0.395 -13.051 1.00 0.00 O ATOM 816 CB ALA A 55 -15.969 1.632 -11.058 1.00 0.00 C ATOM 0 H ALA A 55 -14.848 0.564 -9.063 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.741 -0.349 -11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.257 1.846 -12.087 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.747 1.986 -10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.032 2.140 -10.830 1.00 0.00 H new ATOM 822 N GLY A 56 -13.683 -0.995 -11.240 1.00 0.00 N ATOM 823 CA GLY A 56 -12.605 -1.580 -12.018 1.00 0.00 C ATOM 824 C GLY A 56 -11.900 -0.518 -12.864 1.00 0.00 C ATOM 825 O GLY A 56 -11.387 -0.817 -13.941 1.00 0.00 O ATOM 0 H GLY A 56 -13.553 -1.041 -10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.886 -2.054 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.002 -2.361 -12.666 1.00 0.00 H new ATOM 829 N VAL A 57 -11.897 0.700 -12.344 1.00 0.00 N ATOM 830 CA VAL A 57 -11.263 1.809 -13.038 1.00 0.00 C ATOM 831 C VAL A 57 -9.862 2.030 -12.464 1.00 0.00 C ATOM 832 O VAL A 57 -9.714 2.367 -11.290 1.00 0.00 O ATOM 833 CB VAL A 57 -12.148 3.054 -12.952 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.522 4.224 -13.714 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.559 2.760 -13.463 1.00 0.00 C ATOM 0 H VAL A 57 -12.323 0.944 -11.450 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.148 1.581 -14.098 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.225 3.339 -11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.171 5.097 -13.637 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.547 4.457 -13.285 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.402 3.952 -14.763 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -14.167 3.662 -13.391 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.510 2.438 -14.503 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.007 1.971 -12.860 1.00 0.00 H new ATOM 845 N PRO A 58 -8.843 1.827 -13.341 1.00 0.00 N ATOM 846 CA PRO A 58 -7.459 2.000 -12.933 1.00 0.00 C ATOM 847 C PRO A 58 -7.105 3.484 -12.813 1.00 0.00 C ATOM 848 O PRO A 58 -7.523 4.295 -13.638 1.00 0.00 O ATOM 849 CB PRO A 58 -6.643 1.279 -13.994 1.00 0.00 C ATOM 850 CG PRO A 58 -7.562 1.129 -15.196 1.00 0.00 C ATOM 851 CD PRO A 58 -8.980 1.427 -14.738 1.00 0.00 C ATOM 0 HA PRO A 58 -7.257 1.587 -11.945 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.750 1.848 -14.254 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.308 0.306 -13.635 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.266 1.813 -15.991 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.496 0.120 -15.603 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.430 2.220 -15.335 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.621 0.551 -14.838 1.00 0.00 H new ATOM 859 N TYR A 59 -6.339 3.794 -11.777 1.00 0.00 N ATOM 860 CA TYR A 59 -5.924 5.166 -11.538 1.00 0.00 C ATOM 861 C TYR A 59 -5.392 5.810 -12.820 1.00 0.00 C ATOM 862 O TYR A 59 -5.989 6.752 -13.340 1.00 0.00 O ATOM 863 CB TYR A 59 -4.792 5.091 -10.512 1.00 0.00 C ATOM 864 CG TYR A 59 -4.349 6.453 -9.973 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.289 7.349 -9.504 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.010 6.787 -9.956 1.00 0.00 C ATOM 867 CE1 TYR A 59 -4.872 8.631 -8.998 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.593 8.069 -9.450 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.545 8.927 -8.995 1.00 0.00 C ATOM 870 OH TYR A 59 -3.151 10.138 -8.517 1.00 0.00 O ATOM 0 H TYR A 59 -5.995 3.119 -11.094 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.765 5.766 -11.190 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.113 4.468 -9.677 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.935 4.596 -10.968 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.337 7.088 -9.517 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.274 6.086 -10.322 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.597 9.341 -8.629 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.548 8.343 -9.432 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.175 10.211 -8.575 1.00 0.00 H new ATOM 880 N HIS A 60 -4.276 5.275 -13.294 1.00 0.00 N ATOM 881 CA HIS A 60 -3.658 5.786 -14.506 1.00 0.00 C ATOM 882 C HIS A 60 -3.515 4.654 -15.525 1.00 0.00 C ATOM 883 O HIS A 60 -2.676 4.723 -16.422 1.00 0.00 O ATOM 884 CB HIS A 60 -2.326 6.470 -14.189 1.00 0.00 C ATOM 885 CG HIS A 60 -2.470 7.854 -13.604 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.379 8.358 -12.720 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.615 8.895 -13.921 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -3.093 9.637 -12.508 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -2.000 9.972 -13.252 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.784 4.493 -12.861 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.296 6.550 -14.950 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.767 5.848 -13.490 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.735 6.533 -15.103 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.776 8.839 -14.599 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.636 10.303 -11.854 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.557 10.890 -13.287 1.00 0.00 H new ATOM 897 N GLY A 61 -4.349 3.638 -15.354 1.00 0.00 N ATOM 898 CA GLY A 61 -4.326 2.493 -16.248 1.00 0.00 C ATOM 899 C GLY A 61 -3.230 1.505 -15.847 1.00 0.00 C ATOM 900 O GLY A 61 -3.159 0.400 -16.382 1.00 0.00 O ATOM 0 H GLY A 61 -5.044 3.584 -14.610 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.295 1.994 -16.230 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.160 2.830 -17.271 1.00 0.00 H new ATOM 904 N GLU A 62 -2.401 1.939 -14.908 1.00 0.00 N ATOM 905 CA GLU A 62 -1.311 1.107 -14.428 1.00 0.00 C ATOM 906 C GLU A 62 -1.829 -0.285 -14.061 1.00 0.00 C ATOM 907 O GLU A 62 -3.025 -0.469 -13.842 1.00 0.00 O ATOM 908 CB GLU A 62 -0.604 1.760 -13.239 1.00 0.00 C ATOM 909 CG GLU A 62 0.379 2.834 -13.709 1.00 0.00 C ATOM 910 CD GLU A 62 -0.093 3.477 -15.015 1.00 0.00 C ATOM 911 OE1 GLU A 62 0.246 2.914 -16.079 1.00 0.00 O ATOM 912 OE2 GLU A 62 -0.782 4.515 -14.920 1.00 0.00 O ATOM 0 H GLU A 62 -2.463 2.857 -14.467 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.580 1.002 -15.229 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.342 2.204 -12.572 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.072 1.001 -12.666 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.482 3.599 -12.940 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.365 2.392 -13.853 1.00 0.00 H new ATOM 919 N VAL A 63 -0.902 -1.231 -14.006 1.00 0.00 N ATOM 920 CA VAL A 63 -1.250 -2.601 -13.669 1.00 0.00 C ATOM 921 C VAL A 63 -0.819 -2.892 -12.230 1.00 0.00 C ATOM 922 O VAL A 63 -0.094 -2.106 -11.624 1.00 0.00 O ATOM 923 CB VAL A 63 -0.630 -3.563 -14.685 1.00 0.00 C ATOM 924 CG1 VAL A 63 -1.662 -4.000 -15.726 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.595 -2.938 -15.355 1.00 0.00 C ATOM 0 H VAL A 63 0.089 -1.075 -14.189 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.329 -2.745 -13.721 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.300 -4.452 -14.147 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.196 -4.683 -16.436 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.490 -4.504 -15.228 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.036 -3.125 -16.257 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.016 -3.642 -16.072 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.300 -2.025 -15.873 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.342 -2.700 -14.598 1.00 0.00 H new ATOM 935 N PRO A 64 -1.298 -4.055 -11.712 1.00 0.00 N ATOM 936 CA PRO A 64 -0.970 -4.460 -10.355 1.00 0.00 C ATOM 937 C PRO A 64 0.468 -4.973 -10.268 1.00 0.00 C ATOM 938 O PRO A 64 0.924 -5.707 -11.144 1.00 0.00 O ATOM 939 CB PRO A 64 -2.001 -5.520 -10.002 1.00 0.00 C ATOM 940 CG PRO A 64 -2.574 -6.002 -11.325 1.00 0.00 C ATOM 941 CD PRO A 64 -2.160 -5.011 -12.400 1.00 0.00 C ATOM 0 HA PRO A 64 -1.010 -3.632 -9.647 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.543 -6.342 -9.452 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.783 -5.107 -9.365 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.203 -6.999 -11.561 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.660 -6.072 -11.268 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.631 -5.507 -13.213 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.027 -4.518 -12.839 1.00 0.00 H new ATOM 949 N VAL A 65 1.144 -4.567 -9.203 1.00 0.00 N ATOM 950 CA VAL A 65 2.522 -4.976 -8.991 1.00 0.00 C ATOM 951 C VAL A 65 2.544 -6.359 -8.338 1.00 0.00 C ATOM 952 O VAL A 65 1.825 -6.604 -7.370 1.00 0.00 O ATOM 953 CB VAL A 65 3.262 -3.916 -8.171 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.365 -2.600 -8.944 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.589 -3.705 -6.814 1.00 0.00 C ATOM 0 H VAL A 65 0.763 -3.959 -8.478 1.00 0.00 H new ATOM 0 HA VAL A 65 3.047 -5.057 -9.943 1.00 0.00 H new ATOM 0 HB VAL A 65 4.274 -4.278 -7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.895 -1.864 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.909 -2.766 -9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.364 -2.232 -9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.134 -2.947 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.561 -3.375 -6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.591 -4.642 -6.257 1.00 0.00 H new ATOM 965 N SER A 66 3.376 -7.228 -8.893 1.00 0.00 N ATOM 966 CA SER A 66 3.500 -8.580 -8.377 1.00 0.00 C ATOM 967 C SER A 66 4.302 -8.571 -7.074 1.00 0.00 C ATOM 968 O SER A 66 5.405 -8.028 -7.023 1.00 0.00 O ATOM 969 CB SER A 66 4.164 -9.502 -9.402 1.00 0.00 C ATOM 970 OG SER A 66 5.492 -9.088 -9.712 1.00 0.00 O ATOM 0 H SER A 66 3.971 -7.022 -9.695 1.00 0.00 H new ATOM 0 HA SER A 66 2.499 -8.963 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.183 -10.521 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.567 -9.519 -10.314 1.00 0.00 H new ATOM 0 HG SER A 66 5.876 -8.617 -8.943 1.00 0.00 H new ATOM 976 N LEU A 67 3.717 -9.179 -6.052 1.00 0.00 N ATOM 977 CA LEU A 67 4.363 -9.248 -4.753 1.00 0.00 C ATOM 978 C LEU A 67 5.166 -10.547 -4.655 1.00 0.00 C ATOM 979 O LEU A 67 5.327 -11.101 -3.569 1.00 0.00 O ATOM 980 CB LEU A 67 3.335 -9.075 -3.633 1.00 0.00 C ATOM 981 CG LEU A 67 2.385 -7.883 -3.773 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.070 -8.141 -3.036 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.058 -6.589 -3.310 1.00 0.00 C ATOM 0 H LEU A 67 2.802 -9.628 -6.098 1.00 0.00 H new ATOM 0 HA LEU A 67 5.070 -8.426 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.738 -9.985 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.869 -8.979 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 67 2.143 -7.760 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.413 -7.279 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.586 -9.024 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.272 -8.304 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.362 -5.757 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.348 -6.684 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.944 -6.403 -3.917 1.00 0.00 H new ATOM 995 N ALA A 68 5.648 -10.995 -5.805 1.00 0.00 N ATOM 996 CA ALA A 68 6.430 -12.218 -5.863 1.00 0.00 C ATOM 997 C ALA A 68 7.855 -11.930 -5.386 1.00 0.00 C ATOM 998 O ALA A 68 8.593 -11.189 -6.034 1.00 0.00 O ATOM 999 CB ALA A 68 6.394 -12.781 -7.285 1.00 0.00 C ATOM 0 H ALA A 68 5.512 -10.533 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 68 6.007 -12.975 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.981 -13.699 -7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.363 -12.996 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.813 -12.050 -7.977 1.00 0.00 H new ATOM 1005 N ARG A 69 8.201 -12.532 -4.257 1.00 0.00 N ATOM 1006 CA ARG A 69 9.524 -12.349 -3.687 1.00 0.00 C ATOM 1007 C ARG A 69 9.709 -10.901 -3.227 1.00 0.00 C ATOM 1008 O ARG A 69 10.837 -10.431 -3.085 1.00 0.00 O ATOM 1009 CB ARG A 69 10.615 -12.698 -4.701 1.00 0.00 C ATOM 1010 CG ARG A 69 10.305 -14.021 -5.405 1.00 0.00 C ATOM 1011 CD ARG A 69 11.558 -14.894 -5.509 1.00 0.00 C ATOM 1012 NE ARG A 69 11.183 -16.325 -5.457 1.00 0.00 N ATOM 1013 CZ ARG A 69 12.058 -17.334 -5.564 1.00 0.00 C ATOM 1014 NH1 ARG A 69 13.362 -17.076 -5.729 1.00 0.00 N ATOM 1015 NH2 ARG A 69 11.628 -18.602 -5.505 1.00 0.00 N ATOM 0 H ARG A 69 7.587 -13.147 -3.722 1.00 0.00 H new ATOM 0 HA ARG A 69 9.611 -13.019 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.700 -11.900 -5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.578 -12.768 -4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.529 -14.556 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.912 -13.823 -6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.084 -14.681 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.244 -14.659 -4.695 1.00 0.00 H new ATOM 0 HE ARG A 69 10.198 -16.557 -5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.689 -16.111 -5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.028 -17.845 -5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.635 -18.798 -5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.294 -19.371 -5.586 1.00 0.00 H new ATOM 1029 N ALA A 70 8.585 -10.235 -3.009 1.00 0.00 N ATOM 1030 CA ALA A 70 8.609 -8.851 -2.569 1.00 0.00 C ATOM 1031 C ALA A 70 8.819 -8.805 -1.054 1.00 0.00 C ATOM 1032 O ALA A 70 8.736 -9.831 -0.381 1.00 0.00 O ATOM 1033 CB ALA A 70 7.316 -8.155 -2.999 1.00 0.00 C ATOM 0 H ALA A 70 7.652 -10.628 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 70 9.437 -8.316 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.335 -7.116 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.228 -8.189 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.463 -8.663 -2.550 1.00 0.00 H new ATOM 1039 N GLN A 71 9.088 -7.604 -0.562 1.00 0.00 N ATOM 1040 CA GLN A 71 9.311 -7.412 0.861 1.00 0.00 C ATOM 1041 C GLN A 71 8.375 -6.329 1.403 1.00 0.00 C ATOM 1042 O GLN A 71 8.210 -5.279 0.783 1.00 0.00 O ATOM 1043 CB GLN A 71 10.773 -7.065 1.145 1.00 0.00 C ATOM 1044 CG GLN A 71 11.037 -5.574 0.924 1.00 0.00 C ATOM 1045 CD GLN A 71 12.514 -5.317 0.619 1.00 0.00 C ATOM 1046 OE1 GLN A 71 12.919 -5.148 -0.519 1.00 0.00 O ATOM 1047 NE2 GLN A 71 13.293 -5.298 1.697 1.00 0.00 N ATOM 0 H GLN A 71 9.156 -6.755 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 71 9.088 -8.348 1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.021 -7.333 2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.422 -7.653 0.496 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.423 -5.211 0.100 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.743 -5.014 1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.888 -5.447 2.621 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.295 -5.134 1.599 1.00 0.00 H new ATOM 1056 N GLY A 72 7.788 -6.621 2.554 1.00 0.00 N ATOM 1057 CA GLY A 72 6.873 -5.685 3.186 1.00 0.00 C ATOM 1058 C GLY A 72 7.236 -5.473 4.657 1.00 0.00 C ATOM 1059 O GLY A 72 7.050 -6.367 5.481 1.00 0.00 O ATOM 0 H GLY A 72 7.928 -7.492 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.902 -4.731 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.853 -6.061 3.110 1.00 0.00 H new ATOM 1063 N SER A 73 7.747 -4.284 4.942 1.00 0.00 N ATOM 1064 CA SER A 73 8.138 -3.943 6.299 1.00 0.00 C ATOM 1065 C SER A 73 7.669 -2.526 6.638 1.00 0.00 C ATOM 1066 O SER A 73 7.385 -1.732 5.743 1.00 0.00 O ATOM 1067 CB SER A 73 9.652 -4.059 6.483 1.00 0.00 C ATOM 1068 OG SER A 73 10.103 -5.405 6.354 1.00 0.00 O ATOM 0 H SER A 73 7.899 -3.545 4.256 1.00 0.00 H new ATOM 0 HA SER A 73 7.662 -4.649 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.156 -3.435 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.928 -3.676 7.466 1.00 0.00 H new ATOM 0 HG SER A 73 11.075 -5.438 6.476 1.00 0.00 H new ATOM 1074 N VAL A 74 7.604 -2.253 7.933 1.00 0.00 N ATOM 1075 CA VAL A 74 7.175 -0.946 8.401 1.00 0.00 C ATOM 1076 C VAL A 74 8.240 0.093 8.046 1.00 0.00 C ATOM 1077 O VAL A 74 9.399 -0.252 7.822 1.00 0.00 O ATOM 1078 CB VAL A 74 6.870 -1.001 9.900 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.524 0.388 10.440 1.00 0.00 C ATOM 1080 CG2 VAL A 74 5.749 -2.000 10.195 1.00 0.00 C ATOM 0 H VAL A 74 7.841 -2.914 8.672 1.00 0.00 H new ATOM 0 HA VAL A 74 6.251 -0.647 7.905 1.00 0.00 H new ATOM 0 HB VAL A 74 7.768 -1.345 10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.312 0.321 11.507 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.366 1.061 10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.647 0.773 9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.552 -2.020 11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.845 -1.699 9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.050 -2.994 9.863 1.00 0.00 H new ATOM 1090 N ALA A 75 7.809 1.345 8.005 1.00 0.00 N ATOM 1091 CA ALA A 75 8.711 2.437 7.680 1.00 0.00 C ATOM 1092 C ALA A 75 9.035 3.222 8.953 1.00 0.00 C ATOM 1093 O ALA A 75 8.867 4.439 8.996 1.00 0.00 O ATOM 1094 CB ALA A 75 8.081 3.316 6.598 1.00 0.00 C ATOM 0 H ALA A 75 6.847 1.628 8.191 1.00 0.00 H new ATOM 0 HA ALA A 75 9.650 2.053 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.758 4.135 6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.898 2.719 5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.137 3.722 6.963 1.00 0.00 H new ATOM 1223 N LYS A 82 2.309 8.785 10.229 1.00 0.00 N ATOM 1224 CA LYS A 82 2.183 7.671 11.154 1.00 0.00 C ATOM 1225 C LYS A 82 1.593 6.467 10.417 1.00 0.00 C ATOM 1226 O LYS A 82 0.826 6.629 9.470 1.00 0.00 O ATOM 1227 CB LYS A 82 1.384 8.089 12.389 1.00 0.00 C ATOM 1228 CG LYS A 82 2.200 9.028 13.279 1.00 0.00 C ATOM 1229 CD LYS A 82 1.307 9.720 14.311 1.00 0.00 C ATOM 1230 CE LYS A 82 2.091 10.774 15.095 1.00 0.00 C ATOM 1231 NZ LYS A 82 2.524 10.233 16.403 1.00 0.00 N ATOM 0 HA LYS A 82 3.163 7.369 11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.463 8.584 12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.095 7.204 12.956 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.981 8.464 13.789 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.698 9.777 12.663 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.461 10.190 13.809 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.898 8.979 14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.961 11.091 14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.471 11.658 15.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.055 10.962 16.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.689 9.953 16.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.133 9.404 16.251 1.00 0.00 H new ATOM 1245 N HIS A 83 1.974 5.286 10.881 1.00 0.00 N ATOM 1246 CA HIS A 83 1.492 4.054 10.278 1.00 0.00 C ATOM 1247 C HIS A 83 1.871 4.026 8.796 1.00 0.00 C ATOM 1248 O HIS A 83 1.003 4.110 7.928 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.012 3.889 10.509 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.614 4.940 11.410 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -1.274 6.096 11.113 1.00 0.00 N flip ATOM 1252 CD2 HIS A 83 -0.569 4.860 12.791 1.00 0.00 C flip ATOM 1253 CE1 HIS A 83 -1.616 6.689 12.250 1.00 0.00 C flip ATOM 1254 NE2 HIS A 83 -1.179 5.924 13.292 1.00 0.00 N flip ATOM 0 H HIS A 83 2.611 5.156 11.667 1.00 0.00 H new ATOM 0 HA HIS A 83 1.970 3.199 10.756 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.522 3.915 9.546 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.197 2.906 10.941 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.114 4.065 13.363 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.152 7.623 12.336 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.301 6.134 14.283 1.00 0.00 H new ATOM 1262 N VAL A 84 3.167 3.907 8.552 1.00 0.00 N ATOM 1263 CA VAL A 84 3.672 3.866 7.190 1.00 0.00 C ATOM 1264 C VAL A 84 4.652 2.700 7.048 1.00 0.00 C ATOM 1265 O VAL A 84 5.598 2.582 7.825 1.00 0.00 O ATOM 1266 CB VAL A 84 4.291 5.216 6.821 1.00 0.00 C ATOM 1267 CG1 VAL A 84 5.005 5.140 5.470 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.234 6.322 6.821 1.00 0.00 C ATOM 0 H VAL A 84 3.884 3.838 9.275 1.00 0.00 H new ATOM 0 HA VAL A 84 2.858 3.693 6.486 1.00 0.00 H new ATOM 0 HB VAL A 84 5.034 5.463 7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.436 6.112 5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.798 4.394 5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.290 4.860 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.700 7.271 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.458 6.083 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.790 6.401 7.813 1.00 0.00 H new ATOM 1278 N PHE A 85 4.392 1.867 6.051 1.00 0.00 N ATOM 1279 CA PHE A 85 5.239 0.715 5.798 1.00 0.00 C ATOM 1280 C PHE A 85 5.794 0.745 4.372 1.00 0.00 C ATOM 1281 O PHE A 85 5.101 1.149 3.440 1.00 0.00 O ATOM 1282 CB PHE A 85 4.364 -0.529 5.965 1.00 0.00 C ATOM 1283 CG PHE A 85 3.142 -0.559 5.045 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.092 0.273 5.283 1.00 0.00 C ATOM 1285 CD2 PHE A 85 3.105 -1.416 3.990 1.00 0.00 C ATOM 1286 CE1 PHE A 85 0.957 0.245 4.429 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.971 -1.443 3.136 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.921 -0.612 3.374 1.00 0.00 C ATOM 0 H PHE A 85 3.606 1.968 5.409 1.00 0.00 H new ATOM 0 HA PHE A 85 6.083 0.715 6.488 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.970 -1.415 5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.028 -0.588 7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.121 0.954 6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.939 -2.076 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.123 0.904 4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.942 -2.123 2.298 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.058 -0.633 2.725 1.00 0.00 H new ATOM 1298 N LYS A 86 7.040 0.312 4.247 1.00 0.00 N ATOM 1299 CA LYS A 86 7.697 0.285 2.951 1.00 0.00 C ATOM 1300 C LYS A 86 7.420 -1.058 2.273 1.00 0.00 C ATOM 1301 O LYS A 86 7.254 -2.075 2.945 1.00 0.00 O ATOM 1302 CB LYS A 86 9.186 0.604 3.098 1.00 0.00 C ATOM 1303 CG LYS A 86 9.888 0.583 1.739 1.00 0.00 C ATOM 1304 CD LYS A 86 11.362 0.968 1.876 1.00 0.00 C ATOM 1305 CE LYS A 86 11.558 2.471 1.666 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.986 2.832 1.804 1.00 0.00 N ATOM 0 H LYS A 86 7.612 -0.023 5.022 1.00 0.00 H new ATOM 0 HA LYS A 86 7.292 1.061 2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.308 1.584 3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.653 -0.122 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.808 -0.411 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.390 1.273 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.725 0.685 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.955 0.415 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.199 2.756 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.965 3.026 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.068 3.844 2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.414 2.270 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.481 2.637 0.911 1.00 0.00 H new ATOM 1320 N LEU A 87 7.380 -1.019 0.949 1.00 0.00 N ATOM 1321 CA LEU A 87 7.126 -2.220 0.172 1.00 0.00 C ATOM 1322 C LEU A 87 8.127 -2.297 -0.982 1.00 0.00 C ATOM 1323 O LEU A 87 7.944 -1.648 -2.011 1.00 0.00 O ATOM 1324 CB LEU A 87 5.664 -2.269 -0.277 1.00 0.00 C ATOM 1325 CG LEU A 87 5.292 -3.409 -1.228 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.391 -4.764 -0.524 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.910 -3.182 -1.842 1.00 0.00 C ATOM 0 H LEU A 87 7.519 -0.174 0.395 1.00 0.00 H new ATOM 0 HA LEU A 87 7.277 -3.109 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.035 -2.342 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.422 -1.324 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 87 6.010 -3.418 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.122 -5.557 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.412 -4.919 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.710 -4.783 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.670 -4.006 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.164 -3.131 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.910 -2.247 -2.401 1.00 0.00 H new ATOM 1339 N GLY A 88 9.163 -3.095 -0.773 1.00 0.00 N ATOM 1340 CA GLY A 88 10.194 -3.265 -1.783 1.00 0.00 C ATOM 1341 C GLY A 88 9.962 -4.542 -2.593 1.00 0.00 C ATOM 1342 O GLY A 88 10.042 -5.646 -2.055 1.00 0.00 O ATOM 0 H GLY A 88 9.311 -3.632 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.200 -2.403 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.173 -3.306 -1.305 1.00 0.00 H new ATOM 1346 N LEU A 89 9.681 -4.350 -3.874 1.00 0.00 N ATOM 1347 CA LEU A 89 9.437 -5.473 -4.763 1.00 0.00 C ATOM 1348 C LEU A 89 10.771 -6.125 -5.131 1.00 0.00 C ATOM 1349 O LEU A 89 11.835 -5.582 -4.835 1.00 0.00 O ATOM 1350 CB LEU A 89 8.615 -5.029 -5.975 1.00 0.00 C ATOM 1351 CG LEU A 89 7.352 -4.222 -5.669 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.358 -4.298 -6.829 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.724 -4.667 -4.346 1.00 0.00 C ATOM 0 H LEU A 89 9.617 -3.433 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 89 8.837 -6.232 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.255 -4.432 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.328 -5.916 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 89 7.635 -3.175 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.469 -3.716 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.820 -3.895 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.076 -5.337 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.828 -4.078 -4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.458 -5.722 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.438 -4.518 -3.536 1.00 0.00 H new ATOM 1365 N GLN A 90 10.672 -7.281 -5.771 1.00 0.00 N ATOM 1366 CA GLN A 90 11.858 -8.013 -6.182 1.00 0.00 C ATOM 1367 C GLN A 90 12.497 -7.347 -7.402 1.00 0.00 C ATOM 1368 O GLN A 90 13.646 -7.629 -7.738 1.00 0.00 O ATOM 1369 CB GLN A 90 11.525 -9.479 -6.469 1.00 0.00 C ATOM 1370 CG GLN A 90 10.580 -9.602 -7.666 1.00 0.00 C ATOM 1371 CD GLN A 90 10.739 -10.961 -8.352 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.624 -11.741 -8.044 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.833 -11.198 -9.297 1.00 0.00 N ATOM 0 H GLN A 90 9.789 -7.729 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 90 12.577 -7.991 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.443 -10.032 -6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.065 -9.930 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.549 -9.476 -7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.785 -8.804 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.118 -10.501 -9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.853 -12.077 -9.814 1.00 0.00 H new ATOM 1382 N ASP A 91 11.724 -6.475 -8.033 1.00 0.00 N ATOM 1383 CA ASP A 91 12.200 -5.766 -9.208 1.00 0.00 C ATOM 1384 C ASP A 91 12.893 -4.473 -8.773 1.00 0.00 C ATOM 1385 O ASP A 91 13.192 -3.615 -9.602 1.00 0.00 O ATOM 1386 CB ASP A 91 11.040 -5.391 -10.133 1.00 0.00 C ATOM 1387 CG ASP A 91 10.827 -6.334 -11.319 1.00 0.00 C ATOM 1388 OD1 ASP A 91 11.694 -6.317 -12.219 1.00 0.00 O ATOM 1389 OD2 ASP A 91 9.803 -7.050 -11.298 1.00 0.00 O ATOM 0 H ASP A 91 10.771 -6.244 -7.752 1.00 0.00 H new ATOM 0 HA ASP A 91 12.889 -6.422 -9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.123 -5.358 -9.545 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.210 -4.384 -10.515 1.00 0.00 H new ATOM 1394 N GLY A 92 13.130 -4.376 -7.473 1.00 0.00 N ATOM 1395 CA GLY A 92 13.784 -3.202 -6.918 1.00 0.00 C ATOM 1396 C GLY A 92 12.814 -2.022 -6.837 1.00 0.00 C ATOM 1397 O GLY A 92 13.238 -0.867 -6.803 1.00 0.00 O ATOM 0 H GLY A 92 12.881 -5.090 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.168 -3.431 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.640 -2.932 -7.536 1.00 0.00 H new ATOM 1401 N LYS A 93 11.531 -2.352 -6.809 1.00 0.00 N ATOM 1402 CA LYS A 93 10.498 -1.333 -6.733 1.00 0.00 C ATOM 1403 C LYS A 93 10.140 -1.085 -5.266 1.00 0.00 C ATOM 1404 O LYS A 93 9.605 -1.967 -4.596 1.00 0.00 O ATOM 1405 CB LYS A 93 9.300 -1.719 -7.602 1.00 0.00 C ATOM 1406 CG LYS A 93 9.120 -0.733 -8.758 1.00 0.00 C ATOM 1407 CD LYS A 93 7.832 -1.023 -9.531 1.00 0.00 C ATOM 1408 CE LYS A 93 8.126 -1.810 -10.810 1.00 0.00 C ATOM 1409 NZ LYS A 93 7.360 -1.254 -11.948 1.00 0.00 N ATOM 0 H LYS A 93 11.183 -3.311 -6.838 1.00 0.00 H new ATOM 0 HA LYS A 93 10.863 -0.389 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.442 -2.725 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.396 -1.740 -6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.094 0.286 -8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.975 -0.797 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.145 -1.589 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.336 -0.086 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.193 -1.773 -11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.866 -2.859 -10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.571 -1.799 -12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.342 -1.312 -11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.628 -0.260 -12.094 1.00 0.00 H new ATOM 1423 N GLU A 94 10.449 0.121 -4.810 1.00 0.00 N ATOM 1424 CA GLU A 94 10.166 0.496 -3.435 1.00 0.00 C ATOM 1425 C GLU A 94 8.993 1.477 -3.384 1.00 0.00 C ATOM 1426 O GLU A 94 9.021 2.519 -4.038 1.00 0.00 O ATOM 1427 CB GLU A 94 11.406 1.087 -2.762 1.00 0.00 C ATOM 1428 CG GLU A 94 11.688 0.394 -1.428 1.00 0.00 C ATOM 1429 CD GLU A 94 13.105 0.703 -0.938 1.00 0.00 C ATOM 1430 OE1 GLU A 94 13.555 1.842 -1.186 1.00 0.00 O ATOM 1431 OE2 GLU A 94 13.705 -0.208 -0.328 1.00 0.00 O ATOM 0 H GLU A 94 10.892 0.850 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 94 9.887 -0.402 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.268 0.980 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.261 2.155 -2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.962 0.722 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.565 -0.683 -1.541 1.00 0.00 H new ATOM 1438 N TYR A 95 7.990 1.111 -2.599 1.00 0.00 N ATOM 1439 CA TYR A 95 6.810 1.946 -2.454 1.00 0.00 C ATOM 1440 C TYR A 95 6.546 2.271 -0.982 1.00 0.00 C ATOM 1441 O TYR A 95 7.033 1.574 -0.092 1.00 0.00 O ATOM 1442 CB TYR A 95 5.641 1.124 -3.000 1.00 0.00 C ATOM 1443 CG TYR A 95 5.631 0.994 -4.524 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.158 2.031 -5.302 1.00 0.00 C ATOM 1445 CD2 TYR A 95 6.094 -0.161 -5.121 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.148 1.908 -6.737 1.00 0.00 C ATOM 1447 CE2 TYR A 95 6.085 -0.284 -6.556 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.612 0.757 -7.293 1.00 0.00 C ATOM 1449 OH TYR A 95 5.603 0.641 -8.648 1.00 0.00 O ATOM 0 H TYR A 95 7.970 0.247 -2.057 1.00 0.00 H new ATOM 0 HA TYR A 95 6.940 2.890 -2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.675 0.127 -2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.706 1.583 -2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.795 2.935 -4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.463 -0.973 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.780 2.712 -7.358 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.445 -1.182 -7.036 1.00 0.00 H new ATOM 0 HH TYR A 95 5.470 1.524 -9.051 1.00 0.00 H new ATOM 1459 N LEU A 96 5.777 3.328 -0.771 1.00 0.00 N ATOM 1460 CA LEU A 96 5.442 3.753 0.578 1.00 0.00 C ATOM 1461 C LEU A 96 3.931 3.968 0.680 1.00 0.00 C ATOM 1462 O LEU A 96 3.371 4.811 -0.019 1.00 0.00 O ATOM 1463 CB LEU A 96 6.266 4.981 0.972 1.00 0.00 C ATOM 1464 CG LEU A 96 7.739 4.724 1.297 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.522 6.036 1.363 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.882 3.906 2.582 1.00 0.00 C ATOM 0 H LEU A 96 5.376 3.903 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 96 5.703 2.977 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.215 5.705 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.798 5.444 1.841 1.00 0.00 H new ATOM 0 HG LEU A 96 8.169 4.132 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.566 5.825 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.460 6.545 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.099 6.674 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.939 3.737 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.431 4.450 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.379 2.947 2.461 1.00 0.00 H new ATOM 1478 N PHE A 97 3.313 3.190 1.557 1.00 0.00 N ATOM 1479 CA PHE A 97 1.877 3.284 1.759 1.00 0.00 C ATOM 1480 C PHE A 97 1.552 3.673 3.203 1.00 0.00 C ATOM 1481 O PHE A 97 2.058 3.062 4.143 1.00 0.00 O ATOM 1482 CB PHE A 97 1.293 1.900 1.472 1.00 0.00 C ATOM 1483 CG PHE A 97 1.536 1.406 0.045 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.652 1.713 -0.942 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.637 0.659 -0.238 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.877 1.254 -2.266 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.863 0.200 -1.563 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.978 0.508 -2.549 1.00 0.00 C ATOM 0 H PHE A 97 3.780 2.492 2.136 1.00 0.00 H new ATOM 0 HA PHE A 97 1.457 4.046 1.102 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.723 1.183 2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.219 1.924 1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.222 2.307 -0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.340 0.415 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.174 1.497 -3.049 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.737 -0.393 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.150 0.160 -3.557 1.00 0.00 H new ATOM 1498 N GLN A 98 0.708 4.686 3.334 1.00 0.00 N ATOM 1499 CA GLN A 98 0.309 5.163 4.647 1.00 0.00 C ATOM 1500 C GLN A 98 -1.083 4.637 5.003 1.00 0.00 C ATOM 1501 O GLN A 98 -2.078 5.054 4.412 1.00 0.00 O ATOM 1502 CB GLN A 98 0.351 6.691 4.712 1.00 0.00 C ATOM 1503 CG GLN A 98 -0.111 7.195 6.080 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.451 8.686 6.030 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -0.862 9.221 5.013 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.255 9.324 7.180 1.00 0.00 N ATOM 0 H GLN A 98 0.289 5.190 2.552 1.00 0.00 H new ATOM 0 HA GLN A 98 1.019 4.782 5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.365 7.039 4.516 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.286 7.109 3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.985 6.630 6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.672 7.022 6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.091 8.815 7.993 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.451 10.323 7.249 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.109 3.728 5.966 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.362 3.141 6.407 1.00 0.00 C ATOM 1517 C ALA A 99 -3.165 4.186 7.184 1.00 0.00 C ATOM 1518 O ALA A 99 -2.676 5.285 7.440 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.075 1.890 7.241 1.00 0.00 C ATOM 0 H ALA A 99 -0.282 3.384 6.453 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.962 2.833 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.016 1.450 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.529 1.167 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.476 2.162 8.110 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.385 3.807 7.536 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.261 4.698 8.278 1.00 0.00 C ATOM 1527 C LYS A 100 -4.860 4.688 9.754 1.00 0.00 C ATOM 1528 O LYS A 100 -5.121 5.647 10.479 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.727 4.333 8.036 1.00 0.00 C ATOM 1530 CG LYS A 100 -7.123 3.094 8.842 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.371 3.364 9.685 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.839 2.092 10.394 1.00 0.00 C ATOM 1533 NZ LYS A 100 -10.019 2.376 11.242 1.00 0.00 N ATOM 0 H LYS A 100 -4.788 2.895 7.321 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.150 5.723 7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.365 5.172 8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.889 4.148 6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.310 2.260 8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.298 2.799 9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.156 4.137 10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.169 3.744 9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.088 1.329 9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.031 1.692 11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.324 1.502 11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.769 3.089 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.794 2.737 10.649 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.231 3.593 10.156 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.791 3.446 11.533 1.00 0.00 C ATOM 1549 C ASP A 101 -2.918 2.195 11.654 1.00 0.00 C ATOM 1550 O ASP A 101 -2.630 1.536 10.656 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.984 3.283 12.478 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.782 4.562 12.739 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.388 5.296 13.671 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.767 4.777 12.000 1.00 0.00 O ATOM 0 H ASP A 101 -4.016 2.800 9.552 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.234 4.342 11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.656 2.532 12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.623 2.897 13.431 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.522 1.906 12.884 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.687 0.746 13.148 1.00 0.00 C ATOM 1561 C GLU A 102 -2.357 -0.522 12.616 1.00 0.00 C ATOM 1562 O GLU A 102 -1.714 -1.341 11.961 1.00 0.00 O ATOM 1563 CB GLU A 102 -1.382 0.619 14.642 1.00 0.00 C ATOM 1564 CG GLU A 102 -0.236 1.547 15.048 1.00 0.00 C ATOM 1565 CD GLU A 102 0.473 1.027 16.301 1.00 0.00 C ATOM 1566 OE1 GLU A 102 1.358 0.161 16.134 1.00 0.00 O ATOM 1567 OE2 GLU A 102 0.114 1.509 17.397 1.00 0.00 O ATOM 0 H GLU A 102 -2.763 2.455 13.709 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.739 0.879 12.627 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.273 0.861 15.221 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.120 -0.413 14.877 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.478 1.628 14.229 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.623 2.549 15.234 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.642 -0.646 12.917 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.406 -1.801 12.477 1.00 0.00 C ATOM 1576 C ALA A 103 -4.289 -1.935 10.957 1.00 0.00 C ATOM 1577 O ALA A 103 -3.626 -2.845 10.460 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.857 -1.659 12.939 1.00 0.00 C ATOM 0 H ALA A 103 -4.173 0.035 13.460 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.010 -2.715 12.920 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.430 -2.525 12.609 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.888 -1.596 14.027 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.288 -0.754 12.511 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.942 -1.016 10.262 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.919 -1.021 8.809 1.00 0.00 C ATOM 1586 C GLU A 104 -3.528 -1.405 8.301 1.00 0.00 C ATOM 1587 O GLU A 104 -3.400 -2.218 7.386 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.352 0.336 8.249 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.319 0.334 6.720 1.00 0.00 C ATOM 1590 CD GLU A 104 -6.709 0.607 6.141 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.688 0.195 6.799 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -6.760 1.221 5.053 1.00 0.00 O ATOM 0 H GLU A 104 -5.490 -0.263 10.678 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.632 -1.767 8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.359 0.571 8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.694 1.117 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.619 1.091 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.955 -0.629 6.362 1.00 0.00 H new ATOM 1599 N MET A 105 -2.521 -0.803 8.916 1.00 0.00 N ATOM 1600 CA MET A 105 -1.145 -1.071 8.538 1.00 0.00 C ATOM 1601 C MET A 105 -0.779 -2.533 8.802 1.00 0.00 C ATOM 1602 O MET A 105 -0.559 -3.301 7.866 1.00 0.00 O ATOM 1603 CB MET A 105 -0.209 -0.159 9.333 1.00 0.00 C ATOM 1604 CG MET A 105 1.097 0.083 8.574 1.00 0.00 C ATOM 1605 SD MET A 105 2.261 0.942 9.619 1.00 0.00 S ATOM 1606 CE MET A 105 3.135 -0.449 10.318 1.00 0.00 C ATOM 0 H MET A 105 -2.631 -0.130 9.674 1.00 0.00 H new ATOM 0 HA MET A 105 -1.037 -0.875 7.471 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.702 0.793 9.528 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.007 -0.610 10.302 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.520 -0.868 8.249 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.902 0.668 7.675 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.881 -0.091 11.027 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.429 -1.101 10.832 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.629 -1.006 9.522 1.00 0.00 H new ATOM 1616 N SER A 106 -0.725 -2.875 10.081 1.00 0.00 N ATOM 1617 CA SER A 106 -0.390 -4.231 10.480 1.00 0.00 C ATOM 1618 C SER A 106 -1.116 -5.235 9.583 1.00 0.00 C ATOM 1619 O SER A 106 -0.516 -6.202 9.116 1.00 0.00 O ATOM 1620 CB SER A 106 -0.746 -4.477 11.948 1.00 0.00 C ATOM 1621 OG SER A 106 0.400 -4.813 12.726 1.00 0.00 O ATOM 0 H SER A 106 -0.908 -2.236 10.855 1.00 0.00 H new ATOM 0 HA SER A 106 0.686 -4.364 10.367 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.216 -3.585 12.362 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.478 -5.282 12.014 1.00 0.00 H new ATOM 0 HG SER A 106 0.132 -4.961 13.657 1.00 0.00 H new ATOM 1627 N SER A 107 -2.396 -4.971 9.369 1.00 0.00 N ATOM 1628 CA SER A 107 -3.210 -5.840 8.535 1.00 0.00 C ATOM 1629 C SER A 107 -2.577 -5.978 7.149 1.00 0.00 C ATOM 1630 O SER A 107 -2.359 -7.090 6.671 1.00 0.00 O ATOM 1631 CB SER A 107 -4.639 -5.308 8.416 1.00 0.00 C ATOM 1632 OG SER A 107 -5.590 -6.197 8.994 1.00 0.00 O ATOM 0 H SER A 107 -2.890 -4.168 9.758 1.00 0.00 H new ATOM 0 HA SER A 107 -3.255 -6.822 9.006 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.706 -4.337 8.906 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.881 -5.152 7.365 1.00 0.00 H new ATOM 0 HG SER A 107 -6.490 -5.820 8.899 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.300 -4.833 6.543 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.697 -4.812 5.221 1.00 0.00 C ATOM 1640 C TRP A 108 -0.510 -5.777 5.229 1.00 0.00 C ATOM 1641 O TRP A 108 -0.540 -6.810 4.561 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.308 -3.389 4.818 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.424 -2.615 4.113 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.111 -1.559 4.570 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.956 -2.880 2.798 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.044 -1.127 3.649 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.947 -1.956 2.538 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.612 -3.870 1.860 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.675 -1.928 1.342 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.349 -3.829 0.670 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.349 -2.904 0.393 1.00 0.00 C ATOM 0 H TRP A 108 -2.482 -3.913 6.943 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.410 -5.143 4.466 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.006 -2.840 5.710 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.439 -3.433 4.161 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.954 -1.104 5.537 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.687 -0.343 3.763 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.841 -4.604 2.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.446 -1.193 1.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.125 -4.568 -0.085 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.873 -2.938 -0.551 1.00 0.00 H new ATOM 1662 N LEU A 109 0.508 -5.406 5.991 1.00 0.00 N ATOM 1663 CA LEU A 109 1.704 -6.226 6.094 1.00 0.00 C ATOM 1664 C LEU A 109 1.301 -7.701 6.162 1.00 0.00 C ATOM 1665 O LEU A 109 1.822 -8.525 5.412 1.00 0.00 O ATOM 1666 CB LEU A 109 2.567 -5.769 7.271 1.00 0.00 C ATOM 1667 CG LEU A 109 3.447 -4.542 7.022 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.748 -4.934 6.320 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.680 -3.466 6.250 1.00 0.00 C ATOM 0 H LEU A 109 0.530 -4.549 6.543 1.00 0.00 H new ATOM 0 HA LEU A 109 2.326 -6.106 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.911 -5.556 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.210 -6.598 7.568 1.00 0.00 H new ATOM 0 HG LEU A 109 3.719 -4.114 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.355 -4.044 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.299 -5.639 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.518 -5.399 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.328 -2.605 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.359 -3.867 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.806 -3.159 6.825 1.00 0.00 H new ATOM 1681 N ARG A 110 0.379 -7.988 7.068 1.00 0.00 N ATOM 1682 CA ARG A 110 -0.099 -9.349 7.244 1.00 0.00 C ATOM 1683 C ARG A 110 -0.658 -9.890 5.926 1.00 0.00 C ATOM 1684 O ARG A 110 -0.411 -11.041 5.569 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.188 -9.416 8.317 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.940 -10.747 8.252 1.00 0.00 C ATOM 1687 CD ARG A 110 -3.447 -10.519 8.122 1.00 0.00 C ATOM 1688 NE ARG A 110 -4.078 -10.528 9.461 1.00 0.00 N ATOM 1689 CZ ARG A 110 -5.339 -10.141 9.700 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -6.110 -9.712 8.692 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -5.828 -10.184 10.947 1.00 0.00 N ATOM 0 H ARG A 110 -0.050 -7.302 7.688 1.00 0.00 H new ATOM 0 HA ARG A 110 0.747 -9.959 7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.740 -9.295 9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.888 -8.592 8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.582 -11.330 7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.733 -11.330 9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.638 -9.566 7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.888 -11.296 7.498 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.518 -10.849 10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.738 -9.680 7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.070 -9.417 8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.241 -10.511 11.714 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.787 -9.890 11.129 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.400 -9.034 5.239 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.995 -9.411 3.969 1.00 0.00 C ATOM 1707 C VAL A 111 -0.903 -9.482 2.900 1.00 0.00 C ATOM 1708 O VAL A 111 -0.680 -10.534 2.303 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.121 -8.440 3.609 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.922 -8.949 2.409 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -4.034 -8.191 4.812 1.00 0.00 C ATOM 0 H VAL A 111 -1.603 -8.080 5.538 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.447 -10.400 4.039 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.667 -7.489 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.716 -8.240 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.262 -9.052 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.360 -9.918 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.826 -7.497 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.475 -9.134 5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.452 -7.764 5.629 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.250 -8.348 2.690 1.00 0.00 N ATOM 1722 CA VAL A 112 0.813 -8.268 1.703 1.00 0.00 C ATOM 1723 C VAL A 112 1.744 -9.472 1.864 1.00 0.00 C ATOM 1724 O VAL A 112 2.221 -10.028 0.876 1.00 0.00 O ATOM 1725 CB VAL A 112 1.542 -6.928 1.827 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.752 -6.874 0.891 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.591 -5.760 1.561 1.00 0.00 C ATOM 0 H VAL A 112 -0.437 -7.477 3.187 1.00 0.00 H new ATOM 0 HA VAL A 112 0.402 -8.307 0.694 1.00 0.00 H new ATOM 0 HB VAL A 112 1.905 -6.837 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.252 -5.912 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.446 -7.675 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.420 -6.997 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.134 -4.820 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.184 -5.844 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.224 -5.782 2.284 1.00 0.00 H new ATOM 1737 N ASN A 113 1.973 -9.839 3.116 1.00 0.00 N ATOM 1738 CA ASN A 113 2.837 -10.967 3.418 1.00 0.00 C ATOM 1739 C ASN A 113 2.134 -12.265 3.017 1.00 0.00 C ATOM 1740 O ASN A 113 2.773 -13.196 2.529 1.00 0.00 O ATOM 1741 CB ASN A 113 3.145 -11.039 4.915 1.00 0.00 C ATOM 1742 CG ASN A 113 4.393 -10.223 5.258 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.490 -10.494 4.798 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.164 -9.211 6.091 1.00 0.00 N ATOM 0 H ASN A 113 1.575 -9.375 3.933 1.00 0.00 H new ATOM 0 HA ASN A 113 3.767 -10.837 2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.294 -10.664 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.293 -12.078 5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.932 -8.606 6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.220 -9.040 6.439 1.00 0.00 H new ATOM 1751 N ALA A 114 0.828 -12.286 3.238 1.00 0.00 N ATOM 1752 CA ALA A 114 0.031 -13.455 2.905 1.00 0.00 C ATOM 1753 C ALA A 114 -0.043 -13.600 1.384 1.00 0.00 C ATOM 1754 O ALA A 114 -0.412 -14.658 0.875 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.352 -13.329 3.547 1.00 0.00 C ATOM 0 H ALA A 114 0.301 -11.512 3.644 1.00 0.00 H new ATOM 0 HA ALA A 114 0.493 -14.360 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.950 -14.205 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.246 -13.258 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.847 -12.433 3.172 1.00 0.00 H new ATOM 1761 N ALA A 115 0.314 -12.523 0.701 1.00 0.00 N ATOM 1762 CA ALA A 115 0.293 -12.517 -0.752 1.00 0.00 C ATOM 1763 C ALA A 115 1.676 -12.901 -1.280 1.00 0.00 C ATOM 1764 O ALA A 115 1.791 -13.705 -2.203 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.161 -11.144 -1.251 1.00 0.00 C ATOM 0 H ALA A 115 0.620 -11.648 1.127 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.419 -13.252 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.177 -11.140 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.161 -10.932 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.531 -10.381 -0.895 1.00 0.00 H new ATOM 1771 N ILE A 116 2.692 -12.308 -0.670 1.00 0.00 N ATOM 1772 CA ILE A 116 4.064 -12.578 -1.067 1.00 0.00 C ATOM 1773 C ILE A 116 4.323 -14.084 -0.998 1.00 0.00 C ATOM 1774 O ILE A 116 4.665 -14.706 -2.003 1.00 0.00 O ATOM 1775 CB ILE A 116 5.037 -11.747 -0.229 1.00 0.00 C ATOM 1776 CG1 ILE A 116 5.019 -10.280 -0.661 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.447 -12.341 -0.276 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.637 -9.383 0.414 1.00 0.00 C ATOM 0 H ILE A 116 2.593 -11.642 0.096 1.00 0.00 H new ATOM 0 HA ILE A 116 4.229 -12.273 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 116 4.707 -11.781 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.569 -10.166 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.993 -9.967 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.119 -11.731 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.427 -13.357 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.800 -12.358 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.611 -8.345 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.070 -9.481 1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.670 -9.683 0.588 1.00 0.00 H new ATOM 1790 N ALA A 117 4.151 -14.628 0.198 1.00 0.00 N ATOM 1791 CA ALA A 117 4.362 -16.049 0.412 1.00 0.00 C ATOM 1792 C ALA A 117 3.601 -16.839 -0.655 1.00 0.00 C ATOM 1793 O ALA A 117 4.207 -17.548 -1.458 1.00 0.00 O ATOM 1794 CB ALA A 117 3.932 -16.422 1.832 1.00 0.00 C ATOM 0 H ALA A 117 3.868 -14.109 1.029 1.00 0.00 H new ATOM 0 HA ALA A 117 5.419 -16.299 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.091 -17.488 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.523 -15.855 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.876 -16.188 1.966 1.00 0.00 H new ATOM 1800 N SER A 118 2.285 -16.692 -0.628 1.00 0.00 N ATOM 1801 CA SER A 118 1.435 -17.383 -1.582 1.00 0.00 C ATOM 1802 C SER A 118 2.034 -17.281 -2.986 1.00 0.00 C ATOM 1803 O SER A 118 2.287 -18.298 -3.632 1.00 0.00 O ATOM 1804 CB SER A 118 0.015 -16.812 -1.569 1.00 0.00 C ATOM 1805 OG SER A 118 -0.876 -17.614 -0.799 1.00 0.00 O ATOM 0 H SER A 118 1.786 -16.104 0.040 1.00 0.00 H new ATOM 0 HA SER A 118 1.379 -18.432 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.035 -15.801 -1.163 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.355 -16.738 -2.591 1.00 0.00 H new ATOM 0 HG SER A 118 -1.771 -17.215 -0.814 1.00 0.00 H new