USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 682 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 80 LYS NZ :NH3+ 178:sc= -0.524 (180deg=-0.544) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 57 ASN : amide:sc= 0 X(o=-1.5,f=-1.7) USER MOD Set 2.2: A 74 ASN : amide:sc= -1.45 K(o=-1.5,f=-3.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.17 K(o=-2.2,f=-5.5!) USER MOD Single : A 30 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-3.8!) USER MOD Single : A 33 GLN : amide:sc= 0.232 X(o=0.23,f=-0.047) USER MOD Single : A 34 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 54 ASN : amide:sc= -1.66 K(o=-1.7,f=-6!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 37:sc= 0.11 USER MOD Single : A 61 SER OG : rot 94:sc= 0.308 USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.176) USER MOD Single : A 64 HIS : no HE2:sc= -0.181 K(o=-0.18,f=-0.87) USER MOD Single : A 65 SER OG : rot 170:sc= -0.229 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= -0.21 (180deg=-1.32!) USER MOD Single : A 73 TYR OH : rot 14:sc= 0.528 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N GLY A 11 -10.392 1.856 -5.407 1.00 0.00 N ATOM 132 CA GLY A 11 -9.042 2.205 -4.996 1.00 0.00 C ATOM 133 C GLY A 11 -8.304 3.000 -6.057 1.00 0.00 C ATOM 134 O GLY A 11 -8.897 3.379 -7.070 1.00 0.00 O ATOM 0 HA2 GLY A 11 -9.084 2.785 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.485 1.294 -4.775 1.00 0.00 H new ATOM 138 N ILE A 12 -7.010 3.258 -5.838 1.00 0.00 N ATOM 139 CA ILE A 12 -6.226 4.017 -6.807 1.00 0.00 C ATOM 140 C ILE A 12 -5.438 3.094 -7.732 1.00 0.00 C ATOM 141 O ILE A 12 -5.153 1.944 -7.393 1.00 0.00 O ATOM 142 CB ILE A 12 -5.252 4.994 -6.121 1.00 0.00 C ATOM 143 CG1 ILE A 12 -4.229 4.220 -5.278 1.00 0.00 C ATOM 144 CG2 ILE A 12 -6.020 6.012 -5.285 1.00 0.00 C ATOM 145 CD1 ILE A 12 -4.415 4.351 -3.778 1.00 0.00 C ATOM 0 H ILE A 12 -6.494 2.956 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.941 4.591 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.703 5.545 -6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.282 3.165 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.228 4.566 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.317 6.695 -4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.694 6.577 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.598 5.493 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.648 3.771 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.331 5.399 -3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.400 3.977 -3.499 1.00 0.00 H new ATOM 157 N SER A 13 -5.093 3.616 -8.905 1.00 0.00 N ATOM 158 CA SER A 13 -4.339 2.860 -9.900 1.00 0.00 C ATOM 159 C SER A 13 -2.836 3.013 -9.687 1.00 0.00 C ATOM 160 O SER A 13 -2.375 4.024 -9.148 1.00 0.00 O ATOM 161 CB SER A 13 -4.703 3.341 -11.303 1.00 0.00 C ATOM 162 OG SER A 13 -6.021 2.955 -11.652 1.00 0.00 O ATOM 0 H SER A 13 -5.326 4.567 -9.191 1.00 0.00 H new ATOM 0 HA SER A 13 -4.599 1.807 -9.790 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.614 4.426 -11.353 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.998 2.930 -12.025 1.00 0.00 H new ATOM 0 HG SER A 13 -6.228 3.277 -12.554 1.00 0.00 H new ATOM 168 N VAL A 14 -2.069 2.019 -10.145 1.00 0.00 N ATOM 169 CA VAL A 14 -0.615 2.063 -10.029 1.00 0.00 C ATOM 170 C VAL A 14 -0.053 3.194 -10.887 1.00 0.00 C ATOM 171 O VAL A 14 1.059 3.673 -10.654 1.00 0.00 O ATOM 172 CB VAL A 14 0.042 0.728 -10.436 1.00 0.00 C ATOM 173 CG1 VAL A 14 -0.280 0.382 -11.881 1.00 0.00 C ATOM 174 CG2 VAL A 14 1.548 0.786 -10.211 1.00 0.00 C ATOM 0 H VAL A 14 -2.432 1.180 -10.597 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.380 2.242 -8.980 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.368 -0.062 -9.806 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.195 -0.563 -12.143 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.360 0.292 -12.002 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.094 1.169 -12.536 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.996 -0.164 -10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.975 1.589 -10.812 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.751 0.974 -9.157 1.00 0.00 H new ATOM 184 N ASN A 15 -0.846 3.630 -11.871 1.00 0.00 N ATOM 185 CA ASN A 15 -0.456 4.717 -12.752 1.00 0.00 C ATOM 186 C ASN A 15 -0.086 5.957 -11.941 1.00 0.00 C ATOM 187 O ASN A 15 0.821 6.702 -12.309 1.00 0.00 O ATOM 188 CB ASN A 15 -1.600 5.054 -13.700 1.00 0.00 C ATOM 189 CG ASN A 15 -1.112 5.574 -15.038 1.00 0.00 C ATOM 190 OD1 ASN A 15 -0.869 4.801 -15.965 1.00 0.00 O ATOM 191 ND2 ASN A 15 -0.965 6.889 -15.147 1.00 0.00 N ATOM 0 H ASN A 15 -1.766 3.239 -12.072 1.00 0.00 H new ATOM 0 HA ASN A 15 0.413 4.399 -13.328 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.209 4.164 -13.860 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.244 5.802 -13.236 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.639 7.295 -16.024 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.178 7.493 -14.353 1.00 0.00 H new ATOM 198 N ASP A 16 -0.802 6.164 -10.830 1.00 0.00 N ATOM 199 CA ASP A 16 -0.559 7.303 -9.951 1.00 0.00 C ATOM 200 C ASP A 16 0.883 7.280 -9.428 1.00 0.00 C ATOM 201 O ASP A 16 1.277 6.364 -8.707 1.00 0.00 O ATOM 202 CB ASP A 16 -1.566 7.287 -8.797 1.00 0.00 C ATOM 203 CG ASP A 16 -1.492 8.533 -7.940 1.00 0.00 C ATOM 204 OD1 ASP A 16 -0.556 8.636 -7.126 1.00 0.00 O ATOM 205 OD2 ASP A 16 -2.371 9.408 -8.085 1.00 0.00 O ATOM 0 H ASP A 16 -1.557 5.552 -10.521 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.692 8.226 -10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.574 7.188 -9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.385 6.411 -8.174 1.00 0.00 H new ATOM 210 N PRO A 17 1.696 8.288 -9.811 1.00 0.00 N ATOM 211 CA PRO A 17 3.112 8.385 -9.410 1.00 0.00 C ATOM 212 C PRO A 17 3.333 8.446 -7.898 1.00 0.00 C ATOM 213 O PRO A 17 4.383 8.027 -7.408 1.00 0.00 O ATOM 214 CB PRO A 17 3.589 9.686 -10.064 1.00 0.00 C ATOM 215 CG PRO A 17 2.346 10.440 -10.389 1.00 0.00 C ATOM 216 CD PRO A 17 1.305 9.404 -10.685 1.00 0.00 C ATOM 0 HA PRO A 17 3.657 7.495 -9.724 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.229 10.254 -9.389 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.173 9.484 -10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.042 11.072 -9.554 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.499 11.096 -11.246 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.301 9.763 -10.458 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.310 9.115 -11.736 1.00 0.00 H new ATOM 224 N ARG A 18 2.352 8.959 -7.160 1.00 0.00 N ATOM 225 CA ARG A 18 2.464 9.054 -5.708 1.00 0.00 C ATOM 226 C ARG A 18 2.196 7.699 -5.072 1.00 0.00 C ATOM 227 O ARG A 18 2.945 7.236 -4.219 1.00 0.00 O ATOM 228 CB ARG A 18 1.477 10.083 -5.154 1.00 0.00 C ATOM 229 CG ARG A 18 1.737 11.493 -5.633 1.00 0.00 C ATOM 230 CD ARG A 18 3.188 11.900 -5.426 1.00 0.00 C ATOM 231 NE ARG A 18 3.964 11.824 -6.666 1.00 0.00 N ATOM 232 CZ ARG A 18 3.789 12.633 -7.716 1.00 0.00 C ATOM 233 NH1 ARG A 18 2.859 13.584 -7.692 1.00 0.00 N ATOM 234 NH2 ARG A 18 4.549 12.491 -8.796 1.00 0.00 N ATOM 0 H ARG A 18 1.475 9.314 -7.541 1.00 0.00 H new ATOM 0 HA ARG A 18 3.478 9.374 -5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.465 9.793 -5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.520 10.065 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.485 11.570 -6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.085 12.185 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.227 12.917 -5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.642 11.254 -4.675 1.00 0.00 H new ATOM 0 HE ARG A 18 4.686 11.106 -6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.271 13.702 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.734 14.196 -8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.265 11.765 -8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.416 13.108 -9.598 1.00 0.00 H new ATOM 248 N VAL A 19 1.117 7.072 -5.511 1.00 0.00 N ATOM 249 CA VAL A 19 0.716 5.768 -5.011 1.00 0.00 C ATOM 250 C VAL A 19 1.818 4.724 -5.225 1.00 0.00 C ATOM 251 O VAL A 19 2.068 3.890 -4.355 1.00 0.00 O ATOM 252 CB VAL A 19 -0.587 5.306 -5.695 1.00 0.00 C ATOM 253 CG1 VAL A 19 -0.884 3.845 -5.385 1.00 0.00 C ATOM 254 CG2 VAL A 19 -1.750 6.187 -5.277 1.00 0.00 C ATOM 0 H VAL A 19 0.495 7.453 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 19 0.543 5.864 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.451 5.399 -6.772 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.808 3.548 -5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.064 3.223 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.993 3.716 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.660 5.846 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.879 6.130 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.547 7.219 -5.565 1.00 0.00 H new ATOM 264 N LYS A 20 2.472 4.779 -6.388 1.00 0.00 N ATOM 265 CA LYS A 20 3.546 3.840 -6.719 1.00 0.00 C ATOM 266 C LYS A 20 4.832 4.139 -5.940 1.00 0.00 C ATOM 267 O LYS A 20 5.551 3.218 -5.551 1.00 0.00 O ATOM 268 CB LYS A 20 3.832 3.871 -8.222 1.00 0.00 C ATOM 269 CG LYS A 20 4.089 5.269 -8.761 1.00 0.00 C ATOM 270 CD LYS A 20 5.568 5.521 -8.991 1.00 0.00 C ATOM 271 CE LYS A 20 6.091 4.747 -10.191 1.00 0.00 C ATOM 272 NZ LYS A 20 7.579 4.705 -10.221 1.00 0.00 N ATOM 0 H LYS A 20 2.276 5.465 -7.117 1.00 0.00 H new ATOM 0 HA LYS A 20 3.206 2.845 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.699 3.244 -8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.987 3.435 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.547 5.403 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.699 6.006 -8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.736 6.587 -9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.129 5.235 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.700 3.730 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.723 5.207 -11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.894 4.168 -11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.953 5.674 -10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.931 4.243 -9.358 1.00 0.00 H new ATOM 286 N GLU A 21 5.121 5.425 -5.713 1.00 0.00 N ATOM 287 CA GLU A 21 6.323 5.820 -4.980 1.00 0.00 C ATOM 288 C GLU A 21 6.143 5.588 -3.485 1.00 0.00 C ATOM 289 O GLU A 21 7.080 5.210 -2.780 1.00 0.00 O ATOM 290 CB GLU A 21 6.663 7.286 -5.251 1.00 0.00 C ATOM 291 CG GLU A 21 5.704 8.282 -4.619 1.00 0.00 C ATOM 292 CD GLU A 21 6.051 9.720 -4.953 1.00 0.00 C ATOM 293 OE1 GLU A 21 6.199 10.033 -6.152 1.00 0.00 O ATOM 294 OE2 GLU A 21 6.173 10.535 -4.016 1.00 0.00 O ATOM 0 H GLU A 21 4.541 6.204 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 21 7.150 5.202 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.669 7.486 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.679 7.449 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.690 8.069 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.713 8.152 -3.537 1.00 0.00 H new ATOM 301 N ILE A 22 4.926 5.822 -3.018 1.00 0.00 N ATOM 302 CA ILE A 22 4.588 5.645 -1.616 1.00 0.00 C ATOM 303 C ILE A 22 4.469 4.156 -1.261 1.00 0.00 C ATOM 304 O ILE A 22 4.886 3.735 -0.178 1.00 0.00 O ATOM 305 CB ILE A 22 3.288 6.409 -1.275 1.00 0.00 C ATOM 306 CG1 ILE A 22 3.484 7.901 -1.559 1.00 0.00 C ATOM 307 CG2 ILE A 22 2.889 6.200 0.177 1.00 0.00 C ATOM 308 CD1 ILE A 22 2.210 8.628 -1.916 1.00 0.00 C ATOM 0 H ILE A 22 4.149 6.138 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 22 5.395 6.061 -1.012 1.00 0.00 H new ATOM 0 HB ILE A 22 2.484 6.019 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.926 8.373 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.197 8.015 -2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.971 6.750 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.725 5.138 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.684 6.562 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.431 9.679 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.776 8.184 -2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.502 8.547 -1.091 1.00 0.00 H new ATOM 320 N ALA A 23 3.933 3.357 -2.192 1.00 0.00 N ATOM 321 CA ALA A 23 3.798 1.913 -1.988 1.00 0.00 C ATOM 322 C ALA A 23 5.175 1.256 -1.917 1.00 0.00 C ATOM 323 O ALA A 23 5.493 0.540 -0.960 1.00 0.00 O ATOM 324 CB ALA A 23 2.975 1.295 -3.108 1.00 0.00 C ATOM 0 H ALA A 23 3.587 3.688 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 23 3.282 1.743 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.883 0.222 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.983 1.746 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.468 1.474 -4.063 1.00 0.00 H new ATOM 330 N GLU A 24 5.996 1.525 -2.934 1.00 0.00 N ATOM 331 CA GLU A 24 7.347 0.994 -3.000 1.00 0.00 C ATOM 332 C GLU A 24 8.117 1.366 -1.736 1.00 0.00 C ATOM 333 O GLU A 24 8.798 0.525 -1.147 1.00 0.00 O ATOM 334 CB GLU A 24 8.060 1.524 -4.244 1.00 0.00 C ATOM 335 CG GLU A 24 8.426 2.996 -4.171 1.00 0.00 C ATOM 336 CD GLU A 24 9.107 3.496 -5.431 1.00 0.00 C ATOM 337 OE1 GLU A 24 8.398 3.793 -6.414 1.00 0.00 O ATOM 338 OE2 GLU A 24 10.350 3.590 -5.434 1.00 0.00 O ATOM 0 H GLU A 24 5.740 2.113 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 24 7.300 -0.093 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.968 0.943 -4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.421 1.362 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.524 3.582 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.085 3.160 -3.318 1.00 0.00 H new ATOM 345 N PHE A 25 7.977 2.626 -1.309 1.00 0.00 N ATOM 346 CA PHE A 25 8.632 3.101 -0.095 1.00 0.00 C ATOM 347 C PHE A 25 8.192 2.258 1.097 1.00 0.00 C ATOM 348 O PHE A 25 8.980 1.994 2.003 1.00 0.00 O ATOM 349 CB PHE A 25 8.311 4.575 0.169 1.00 0.00 C ATOM 350 CG PHE A 25 9.099 5.160 1.311 1.00 0.00 C ATOM 351 CD1 PHE A 25 8.730 4.917 2.627 1.00 0.00 C ATOM 352 CD2 PHE A 25 10.211 5.949 1.068 1.00 0.00 C ATOM 353 CE1 PHE A 25 9.455 5.449 3.674 1.00 0.00 C ATOM 354 CE2 PHE A 25 10.939 6.484 2.113 1.00 0.00 C ATOM 355 CZ PHE A 25 10.561 6.233 3.416 1.00 0.00 C ATOM 0 H PHE A 25 7.416 3.330 -1.788 1.00 0.00 H new ATOM 0 HA PHE A 25 9.709 3.005 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.511 5.151 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.247 4.676 0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.865 4.304 2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.512 6.148 0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.157 5.252 4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.804 7.098 1.910 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.130 6.650 4.234 1.00 0.00 H new ATOM 365 N ALA A 26 6.926 1.832 1.085 1.00 0.00 N ATOM 366 CA ALA A 26 6.390 1.009 2.166 1.00 0.00 C ATOM 367 C ALA A 26 7.165 -0.301 2.290 1.00 0.00 C ATOM 368 O ALA A 26 7.556 -0.693 3.391 1.00 0.00 O ATOM 369 CB ALA A 26 4.908 0.736 1.952 1.00 0.00 C ATOM 0 H ALA A 26 6.259 2.043 0.343 1.00 0.00 H new ATOM 0 HA ALA A 26 6.506 1.561 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.530 0.121 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.364 1.680 1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.768 0.211 1.007 1.00 0.00 H new ATOM 375 N LEU A 27 7.390 -0.973 1.156 1.00 0.00 N ATOM 376 CA LEU A 27 8.128 -2.241 1.156 1.00 0.00 C ATOM 377 C LEU A 27 9.588 -2.031 1.580 1.00 0.00 C ATOM 378 O LEU A 27 10.122 -2.807 2.372 1.00 0.00 O ATOM 379 CB LEU A 27 8.058 -2.918 -0.227 1.00 0.00 C ATOM 380 CG LEU A 27 9.295 -3.721 -0.640 1.00 0.00 C ATOM 381 CD1 LEU A 27 9.555 -4.849 0.348 1.00 0.00 C ATOM 382 CD2 LEU A 27 9.123 -4.274 -2.048 1.00 0.00 C ATOM 0 H LEU A 27 7.076 -0.665 0.236 1.00 0.00 H new ATOM 0 HA LEU A 27 7.655 -2.900 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.195 -3.583 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.880 -2.149 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 27 10.157 -3.054 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.438 -5.408 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.720 -4.432 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.693 -5.516 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.011 -4.842 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.250 -4.926 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.985 -3.450 -2.748 1.00 0.00 H new ATOM 394 N LYS A 28 10.228 -0.987 1.048 1.00 0.00 N ATOM 395 CA LYS A 28 11.629 -0.695 1.374 1.00 0.00 C ATOM 396 C LYS A 28 11.799 -0.147 2.801 1.00 0.00 C ATOM 397 O LYS A 28 12.904 -0.177 3.343 1.00 0.00 O ATOM 398 CB LYS A 28 12.228 0.284 0.357 1.00 0.00 C ATOM 399 CG LYS A 28 11.486 1.606 0.257 1.00 0.00 C ATOM 400 CD LYS A 28 12.434 2.764 -0.013 1.00 0.00 C ATOM 401 CE LYS A 28 13.049 2.673 -1.401 1.00 0.00 C ATOM 402 NZ LYS A 28 14.536 2.701 -1.355 1.00 0.00 N ATOM 0 H LYS A 28 9.802 -0.332 0.393 1.00 0.00 H new ATOM 0 HA LYS A 28 12.168 -1.641 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.266 0.482 0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.238 -0.190 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.746 1.548 -0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.942 1.789 1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.895 3.706 0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.225 2.769 0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.719 1.754 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.690 3.501 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.914 2.637 -2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.853 3.590 -0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.881 1.896 -0.794 1.00 0.00 H new ATOM 416 N GLN A 29 10.713 0.348 3.408 1.00 0.00 N ATOM 417 CA GLN A 29 10.776 0.888 4.769 1.00 0.00 C ATOM 418 C GLN A 29 10.662 -0.231 5.811 1.00 0.00 C ATOM 419 O GLN A 29 11.333 -0.194 6.842 1.00 0.00 O ATOM 420 CB GLN A 29 9.675 1.928 4.994 1.00 0.00 C ATOM 421 CG GLN A 29 9.906 2.802 6.220 1.00 0.00 C ATOM 422 CD GLN A 29 11.087 3.747 6.066 1.00 0.00 C ATOM 423 OE1 GLN A 29 12.177 3.338 5.670 1.00 0.00 O ATOM 424 NE2 GLN A 29 10.877 5.019 6.382 1.00 0.00 N ATOM 0 H GLN A 29 9.787 0.385 2.981 1.00 0.00 H new ATOM 0 HA GLN A 29 11.745 1.373 4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.602 2.565 4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.718 1.416 5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.006 3.384 6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.070 2.164 7.088 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.958 5.319 6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.635 5.697 6.300 1.00 0.00 H new ATOM 433 N HIS A 30 9.819 -1.231 5.527 1.00 0.00 N ATOM 434 CA HIS A 30 9.628 -2.369 6.430 1.00 0.00 C ATOM 435 C HIS A 30 10.331 -3.607 5.886 1.00 0.00 C ATOM 436 O HIS A 30 10.114 -3.998 4.740 1.00 0.00 O ATOM 437 CB HIS A 30 8.143 -2.664 6.627 1.00 0.00 C ATOM 438 CG HIS A 30 7.812 -3.050 8.033 1.00 0.00 C ATOM 439 ND1 HIS A 30 6.979 -2.311 8.844 1.00 0.00 N ATOM 440 CD2 HIS A 30 8.224 -4.102 8.776 1.00 0.00 C ATOM 441 CE1 HIS A 30 6.893 -2.891 10.027 1.00 0.00 C ATOM 442 NE2 HIS A 30 7.640 -3.980 10.011 1.00 0.00 N ATOM 0 H HIS A 30 9.258 -1.274 4.676 1.00 0.00 H new ATOM 0 HA HIS A 30 10.063 -2.108 7.394 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.562 -1.784 6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.844 -3.468 5.954 1.00 0.00 H new ATOM 0 HD2 HIS A 30 8.889 -4.891 8.457 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.311 -2.536 10.865 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.763 -4.626 10.791 1.00 0.00 H new ATOM 451 N ALA A 31 11.179 -4.218 6.712 1.00 0.00 N ATOM 452 CA ALA A 31 11.918 -5.411 6.305 1.00 0.00 C ATOM 453 C ALA A 31 12.684 -6.028 7.477 1.00 0.00 C ATOM 454 O ALA A 31 13.844 -6.419 7.338 1.00 0.00 O ATOM 455 CB ALA A 31 12.866 -5.063 5.167 1.00 0.00 C ATOM 0 H ALA A 31 11.371 -3.907 7.664 1.00 0.00 H new ATOM 0 HA ALA A 31 11.201 -6.156 5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.416 -5.955 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.294 -4.686 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.569 -4.299 5.499 1.00 0.00 H new ATOM 461 N GLU A 32 12.025 -6.108 8.633 1.00 0.00 N ATOM 462 CA GLU A 32 12.636 -6.669 9.837 1.00 0.00 C ATOM 463 C GLU A 32 12.896 -8.174 9.696 1.00 0.00 C ATOM 464 O GLU A 32 13.903 -8.683 10.190 1.00 0.00 O ATOM 465 CB GLU A 32 11.741 -6.388 11.056 1.00 0.00 C ATOM 466 CG GLU A 32 11.438 -7.610 11.913 1.00 0.00 C ATOM 467 CD GLU A 32 10.157 -7.472 12.709 1.00 0.00 C ATOM 468 OE1 GLU A 32 10.117 -6.635 13.633 1.00 0.00 O ATOM 469 OE2 GLU A 32 9.194 -8.209 12.411 1.00 0.00 O ATOM 0 H GLU A 32 11.064 -5.790 8.761 1.00 0.00 H new ATOM 0 HA GLU A 32 13.603 -6.186 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.223 -5.634 11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.800 -5.961 10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.368 -8.488 11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.268 -7.781 12.598 1.00 0.00 H new ATOM 476 N GLN A 33 11.975 -8.878 9.037 1.00 0.00 N ATOM 477 CA GLN A 33 12.095 -10.331 8.852 1.00 0.00 C ATOM 478 C GLN A 33 12.443 -10.715 7.406 1.00 0.00 C ATOM 479 O GLN A 33 12.500 -11.902 7.081 1.00 0.00 O ATOM 480 CB GLN A 33 10.800 -11.041 9.279 1.00 0.00 C ATOM 481 CG GLN A 33 9.601 -10.119 9.445 1.00 0.00 C ATOM 482 CD GLN A 33 8.327 -10.869 9.782 1.00 0.00 C ATOM 483 OE1 GLN A 33 7.948 -11.813 9.090 1.00 0.00 O ATOM 484 NE2 GLN A 33 7.656 -10.451 10.850 1.00 0.00 N ATOM 0 H GLN A 33 11.138 -8.470 8.622 1.00 0.00 H new ATOM 0 HA GLN A 33 12.918 -10.658 9.487 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.557 -11.803 8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.978 -11.558 10.222 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.811 -9.396 10.233 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.452 -9.554 8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.006 -9.664 11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.791 -10.917 11.124 1.00 0.00 H new ATOM 493 N ASN A 34 12.686 -9.716 6.549 1.00 0.00 N ATOM 494 CA ASN A 34 13.041 -9.956 5.147 1.00 0.00 C ATOM 495 C ASN A 34 11.890 -10.601 4.361 1.00 0.00 C ATOM 496 O ASN A 34 11.712 -11.819 4.383 1.00 0.00 O ATOM 497 CB ASN A 34 14.305 -10.826 5.060 1.00 0.00 C ATOM 498 CG ASN A 34 14.598 -11.314 3.651 1.00 0.00 C ATOM 499 OD1 ASN A 34 14.418 -12.491 3.341 1.00 0.00 O ATOM 500 ND2 ASN A 34 15.054 -10.410 2.789 1.00 0.00 N ATOM 0 H ASN A 34 12.643 -8.730 6.805 1.00 0.00 H new ATOM 0 HA ASN A 34 13.240 -8.987 4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 34 15.158 -10.254 5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.193 -11.686 5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.269 -10.683 1.830 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.189 -9.444 3.087 1.00 0.00 H new ATOM 507 N LEU A 35 11.127 -9.766 3.650 1.00 0.00 N ATOM 508 CA LEU A 35 10.007 -10.230 2.828 1.00 0.00 C ATOM 509 C LEU A 35 10.052 -9.547 1.465 1.00 0.00 C ATOM 510 O LEU A 35 10.626 -8.464 1.327 1.00 0.00 O ATOM 511 CB LEU A 35 8.670 -9.976 3.541 1.00 0.00 C ATOM 512 CG LEU A 35 7.954 -8.667 3.185 1.00 0.00 C ATOM 513 CD1 LEU A 35 6.668 -8.952 2.425 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.661 -7.858 4.440 1.00 0.00 C ATOM 0 H LEU A 35 11.267 -8.756 3.628 1.00 0.00 H new ATOM 0 HA LEU A 35 10.095 -11.306 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.999 -10.806 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.847 -9.989 4.617 1.00 0.00 H new ATOM 0 HG LEU A 35 8.612 -8.081 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.174 -8.012 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.900 -9.489 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.007 -9.560 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.153 -6.933 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.023 -8.439 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.596 -7.622 4.947 1.00 0.00 H new ATOM 526 N ILE A 36 9.487 -10.197 0.447 1.00 0.00 N ATOM 527 CA ILE A 36 9.526 -9.648 -0.902 1.00 0.00 C ATOM 528 C ILE A 36 8.139 -9.334 -1.447 1.00 0.00 C ATOM 529 O ILE A 36 7.279 -10.207 -1.508 1.00 0.00 O ATOM 530 CB ILE A 36 10.227 -10.629 -1.864 1.00 0.00 C ATOM 531 CG1 ILE A 36 11.035 -11.680 -1.085 1.00 0.00 C ATOM 532 CG2 ILE A 36 11.118 -9.869 -2.830 1.00 0.00 C ATOM 533 CD1 ILE A 36 11.472 -12.858 -1.926 1.00 0.00 C ATOM 0 H ILE A 36 9.004 -11.092 0.531 1.00 0.00 H new ATOM 0 HA ILE A 36 10.085 -8.714 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 36 9.463 -11.155 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.917 -11.203 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.433 -12.043 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.607 -10.572 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.514 -9.171 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.873 -9.317 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.036 -13.557 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.594 -13.360 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.101 -12.507 -2.744 1.00 0.00 H new ATOM 545 N LEU A 37 7.939 -8.081 -1.864 1.00 0.00 N ATOM 546 CA LEU A 37 6.665 -7.657 -2.426 1.00 0.00 C ATOM 547 C LEU A 37 6.655 -7.864 -3.937 1.00 0.00 C ATOM 548 O LEU A 37 7.444 -7.258 -4.663 1.00 0.00 O ATOM 549 CB LEU A 37 6.396 -6.191 -2.095 1.00 0.00 C ATOM 550 CG LEU A 37 4.954 -5.732 -2.311 1.00 0.00 C ATOM 551 CD1 LEU A 37 4.096 -6.092 -1.106 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.904 -4.235 -2.578 1.00 0.00 C ATOM 0 H LEU A 37 8.646 -7.347 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 37 5.876 -8.265 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.665 -6.014 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.054 -5.570 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 37 4.554 -6.248 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.072 -5.758 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.106 -7.172 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.494 -5.603 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.869 -3.927 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.321 -3.699 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.485 -4.005 -3.471 1.00 0.00 H new ATOM 564 N ALA A 38 5.754 -8.724 -4.399 1.00 0.00 N ATOM 565 CA ALA A 38 5.627 -9.021 -5.821 1.00 0.00 C ATOM 566 C ALA A 38 5.157 -7.800 -6.602 1.00 0.00 C ATOM 567 O ALA A 38 5.522 -7.631 -7.768 1.00 0.00 O ATOM 568 CB ALA A 38 4.673 -10.188 -6.036 1.00 0.00 C ATOM 0 H ALA A 38 5.097 -9.230 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 38 6.613 -9.298 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.589 -10.397 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.055 -11.070 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.691 -9.933 -5.638 1.00 0.00 H new ATOM 574 N GLY A 39 4.356 -6.942 -5.962 1.00 0.00 N ATOM 575 CA GLY A 39 3.878 -5.751 -6.644 1.00 0.00 C ATOM 576 C GLY A 39 2.647 -5.133 -6.007 1.00 0.00 C ATOM 577 O GLY A 39 2.047 -5.709 -5.099 1.00 0.00 O ATOM 0 H GLY A 39 4.036 -7.050 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.677 -5.010 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.652 -6.003 -7.680 1.00 0.00 H new ATOM 581 N VAL A 40 2.280 -3.950 -6.501 1.00 0.00 N ATOM 582 CA VAL A 40 1.119 -3.212 -6.008 1.00 0.00 C ATOM 583 C VAL A 40 -0.186 -3.841 -6.512 1.00 0.00 C ATOM 584 O VAL A 40 -0.347 -4.081 -7.710 1.00 0.00 O ATOM 585 CB VAL A 40 1.203 -1.724 -6.441 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.178 -1.088 -6.557 1.00 0.00 C ATOM 587 CG2 VAL A 40 2.086 -0.938 -5.475 1.00 0.00 C ATOM 0 H VAL A 40 2.780 -3.477 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 40 1.122 -3.262 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 40 1.655 -1.692 -7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.075 -0.047 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.766 -1.627 -7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.682 -1.135 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.135 0.104 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.665 -0.992 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.089 -1.364 -5.471 1.00 0.00 H new ATOM 597 N ASP A 41 -1.108 -4.112 -5.585 1.00 0.00 N ATOM 598 CA ASP A 41 -2.395 -4.722 -5.929 1.00 0.00 C ATOM 599 C ASP A 41 -3.513 -3.682 -5.985 1.00 0.00 C ATOM 600 O ASP A 41 -4.117 -3.467 -7.036 1.00 0.00 O ATOM 601 CB ASP A 41 -2.756 -5.809 -4.910 1.00 0.00 C ATOM 602 CG ASP A 41 -3.157 -7.115 -5.567 1.00 0.00 C ATOM 603 OD1 ASP A 41 -2.295 -7.744 -6.214 1.00 0.00 O ATOM 604 OD2 ASP A 41 -4.332 -7.511 -5.432 1.00 0.00 O ATOM 0 H ASP A 41 -0.987 -3.919 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.293 -5.167 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.904 -5.984 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.574 -5.456 -4.283 1.00 0.00 H new ATOM 609 N ALA A 42 -3.785 -3.049 -4.843 1.00 0.00 N ATOM 610 CA ALA A 42 -4.834 -2.034 -4.741 1.00 0.00 C ATOM 611 C ALA A 42 -4.487 -1.011 -3.664 1.00 0.00 C ATOM 612 O ALA A 42 -3.566 -1.225 -2.874 1.00 0.00 O ATOM 613 CB ALA A 42 -6.175 -2.689 -4.441 1.00 0.00 C ATOM 0 H ALA A 42 -3.289 -3.224 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.907 -1.514 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.946 -1.922 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.428 -3.383 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.112 -3.231 -3.498 1.00 0.00 H new ATOM 619 N GLY A 43 -5.213 0.106 -3.634 1.00 0.00 N ATOM 620 CA GLY A 43 -4.930 1.128 -2.645 1.00 0.00 C ATOM 621 C GLY A 43 -6.100 2.038 -2.338 1.00 0.00 C ATOM 622 O GLY A 43 -7.119 2.021 -3.026 1.00 0.00 O ATOM 0 H GLY A 43 -5.982 0.318 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.608 0.645 -1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.095 1.735 -2.995 1.00 0.00 H new ATOM 626 N GLN A 44 -5.933 2.833 -1.285 1.00 0.00 N ATOM 627 CA GLN A 44 -6.950 3.772 -0.828 1.00 0.00 C ATOM 628 C GLN A 44 -6.296 5.069 -0.352 1.00 0.00 C ATOM 629 O GLN A 44 -5.272 5.035 0.329 1.00 0.00 O ATOM 630 CB GLN A 44 -7.746 3.144 0.318 1.00 0.00 C ATOM 631 CG GLN A 44 -8.539 1.917 -0.093 1.00 0.00 C ATOM 632 CD GLN A 44 -8.577 0.856 0.991 1.00 0.00 C ATOM 633 OE1 GLN A 44 -7.880 -0.153 0.908 1.00 0.00 O ATOM 634 NE2 GLN A 44 -9.392 1.080 2.017 1.00 0.00 N ATOM 0 H GLN A 44 -5.083 2.843 -0.722 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.621 4.000 -1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.059 2.871 1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.430 3.889 0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.558 2.214 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.102 1.492 -0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.953 1.931 2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.456 0.401 2.775 1.00 0.00 H new ATOM 643 N ILE A 45 -6.886 6.208 -0.710 1.00 0.00 N ATOM 644 CA ILE A 45 -6.341 7.505 -0.312 1.00 0.00 C ATOM 645 C ILE A 45 -7.364 8.325 0.468 1.00 0.00 C ATOM 646 O ILE A 45 -8.469 8.579 -0.014 1.00 0.00 O ATOM 647 CB ILE A 45 -5.856 8.311 -1.538 1.00 0.00 C ATOM 648 CG1 ILE A 45 -4.660 7.605 -2.182 1.00 0.00 C ATOM 649 CG2 ILE A 45 -5.490 9.740 -1.143 1.00 0.00 C ATOM 650 CD1 ILE A 45 -4.043 8.371 -3.330 1.00 0.00 C ATOM 0 H ILE A 45 -7.736 6.260 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.488 7.304 0.336 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.668 8.365 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.899 7.434 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.978 6.626 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.152 10.286 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.364 10.236 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.692 9.719 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.202 7.807 -3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.789 8.519 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.692 9.340 -2.974 1.00 0.00 H new ATOM 662 N ILE A 46 -6.976 8.748 1.671 1.00 0.00 N ATOM 663 CA ILE A 46 -7.844 9.555 2.521 1.00 0.00 C ATOM 664 C ILE A 46 -7.337 10.993 2.562 1.00 0.00 C ATOM 665 O ILE A 46 -6.221 11.263 3.037 1.00 0.00 O ATOM 666 CB ILE A 46 -7.924 8.987 3.955 1.00 0.00 C ATOM 667 CG1 ILE A 46 -8.386 7.527 3.923 1.00 0.00 C ATOM 668 CG2 ILE A 46 -8.867 9.825 4.808 1.00 0.00 C ATOM 669 CD1 ILE A 46 -8.038 6.753 5.175 1.00 0.00 C ATOM 0 H ILE A 46 -6.063 8.543 2.078 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.847 9.530 2.094 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.930 9.027 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.466 7.500 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.936 7.031 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.912 9.411 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.502 10.851 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.864 9.814 4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.396 5.728 5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.957 6.748 5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.510 7.224 6.037 1.00 0.00 H new ATOM 681 N LYS A 47 -8.151 11.906 2.024 1.00 0.00 N ATOM 682 CA LYS A 47 -7.793 13.320 1.963 1.00 0.00 C ATOM 683 C LYS A 47 -8.963 14.248 2.307 1.00 0.00 C ATOM 684 O LYS A 47 -10.131 13.859 2.259 1.00 0.00 O ATOM 685 CB LYS A 47 -7.247 13.679 0.572 1.00 0.00 C ATOM 686 CG LYS A 47 -7.524 12.637 -0.505 1.00 0.00 C ATOM 687 CD LYS A 47 -8.993 12.610 -0.894 1.00 0.00 C ATOM 688 CE LYS A 47 -9.202 11.956 -2.250 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.502 12.349 -2.859 1.00 0.00 N ATOM 0 H LYS A 47 -9.064 11.687 1.624 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.021 13.473 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.680 14.629 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.170 13.829 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.918 12.853 -1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.224 11.653 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.560 12.068 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.383 13.628 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.388 12.237 -2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.165 10.872 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.608 11.883 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.280 12.059 -2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.528 13.381 -2.987 1.00 0.00 H new ATOM 703 N GLY A 48 -8.608 15.494 2.610 1.00 0.00 N ATOM 704 CA GLY A 48 -9.571 16.542 2.920 1.00 0.00 C ATOM 705 C GLY A 48 -9.048 17.862 2.389 1.00 0.00 C ATOM 706 O GLY A 48 -9.548 18.392 1.396 1.00 0.00 O ATOM 0 H GLY A 48 -7.637 15.805 2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.537 16.311 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.727 16.604 3.997 1.00 0.00 H new ATOM 710 N ILE A 49 -7.979 18.340 3.023 1.00 0.00 N ATOM 711 CA ILE A 49 -7.284 19.552 2.605 1.00 0.00 C ATOM 712 C ILE A 49 -5.842 19.149 2.293 1.00 0.00 C ATOM 713 O ILE A 49 -5.097 18.751 3.191 1.00 0.00 O ATOM 714 CB ILE A 49 -7.326 20.654 3.693 1.00 0.00 C ATOM 715 CG1 ILE A 49 -6.853 21.991 3.117 1.00 0.00 C ATOM 716 CG2 ILE A 49 -6.488 20.261 4.904 1.00 0.00 C ATOM 717 CD1 ILE A 49 -7.595 23.187 3.674 1.00 0.00 C ATOM 0 H ILE A 49 -7.570 17.894 3.844 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.774 19.979 1.730 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.358 20.766 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.788 22.108 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.971 21.973 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.536 21.053 5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.876 19.336 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.452 20.113 4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.207 24.099 3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.657 23.093 3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.456 23.231 4.754 1.00 0.00 H new ATOM 729 N PRO A 50 -5.441 19.145 1.010 1.00 0.00 N ATOM 730 CA PRO A 50 -4.117 18.678 0.629 1.00 0.00 C ATOM 731 C PRO A 50 -3.007 19.720 0.625 1.00 0.00 C ATOM 732 O PRO A 50 -2.985 20.647 -0.187 1.00 0.00 O ATOM 733 CB PRO A 50 -4.343 18.146 -0.774 1.00 0.00 C ATOM 734 CG PRO A 50 -5.403 19.038 -1.338 1.00 0.00 C ATOM 735 CD PRO A 50 -6.257 19.488 -0.171 1.00 0.00 C ATOM 0 HA PRO A 50 -3.754 17.957 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.430 18.188 -1.368 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.665 17.105 -0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.959 19.894 -1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.004 18.507 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.467 20.557 -0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.218 18.975 -0.157 1.00 0.00 H new ATOM 743 N HIS A 51 -2.046 19.475 1.498 1.00 0.00 N ATOM 744 CA HIS A 51 -0.835 20.276 1.610 1.00 0.00 C ATOM 745 C HIS A 51 0.361 19.344 1.378 1.00 0.00 C ATOM 746 O HIS A 51 1.473 19.593 1.849 1.00 0.00 O ATOM 747 CB HIS A 51 -0.747 20.944 2.987 1.00 0.00 C ATOM 748 CG HIS A 51 -0.766 22.441 2.930 1.00 0.00 C ATOM 749 ND1 HIS A 51 -1.774 23.160 2.321 1.00 0.00 N ATOM 750 CD2 HIS A 51 0.107 23.356 3.412 1.00 0.00 C ATOM 751 CE1 HIS A 51 -1.518 24.451 2.431 1.00 0.00 C ATOM 752 NE2 HIS A 51 -0.384 24.597 3.089 1.00 0.00 N ATOM 0 H HIS A 51 -2.084 18.701 2.161 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.841 21.075 0.868 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.580 20.602 3.601 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.169 20.619 3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 51 1.020 23.149 3.950 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.133 25.252 2.047 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.057 25.487 3.320 1.00 0.00 H new ATOM 761 N TRP A 52 0.080 18.239 0.667 1.00 0.00 N ATOM 762 CA TRP A 52 1.052 17.200 0.361 1.00 0.00 C ATOM 763 C TRP A 52 1.336 16.333 1.588 1.00 0.00 C ATOM 764 O TRP A 52 2.437 15.812 1.769 1.00 0.00 O ATOM 765 CB TRP A 52 2.323 17.775 -0.261 1.00 0.00 C ATOM 766 CG TRP A 52 2.721 17.074 -1.532 1.00 0.00 C ATOM 767 CD1 TRP A 52 3.958 17.086 -2.107 1.00 0.00 C ATOM 768 CD2 TRP A 52 1.891 16.249 -2.384 1.00 0.00 C ATOM 769 NE1 TRP A 52 3.959 16.327 -3.250 1.00 0.00 N ATOM 770 CE2 TRP A 52 2.708 15.802 -3.440 1.00 0.00 C ATOM 771 CE3 TRP A 52 0.542 15.839 -2.364 1.00 0.00 C ATOM 772 CZ2 TRP A 52 2.233 14.972 -4.451 1.00 0.00 C ATOM 773 CZ3 TRP A 52 0.079 15.014 -3.368 1.00 0.00 C ATOM 774 CH2 TRP A 52 0.923 14.586 -4.398 1.00 0.00 C ATOM 0 H TRP A 52 -0.847 18.049 0.287 1.00 0.00 H new ATOM 0 HA TRP A 52 0.615 16.547 -0.395 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.173 18.835 -0.468 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.139 17.703 0.459 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.814 17.617 -1.718 1.00 0.00 H new ATOM 0 HE1 TRP A 52 4.762 16.178 -3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -0.119 16.166 -1.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.879 14.643 -5.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.952 14.693 -3.359 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.531 13.937 -5.167 1.00 0.00 H new ATOM 785 N ASP A 53 0.294 16.166 2.404 1.00 0.00 N ATOM 786 CA ASP A 53 0.338 15.344 3.609 1.00 0.00 C ATOM 787 C ASP A 53 -0.749 14.258 3.542 1.00 0.00 C ATOM 788 O ASP A 53 -1.264 13.819 4.571 1.00 0.00 O ATOM 789 CB ASP A 53 0.149 16.221 4.854 1.00 0.00 C ATOM 790 CG ASP A 53 -1.182 16.952 4.862 1.00 0.00 C ATOM 791 OD1 ASP A 53 -1.316 17.953 4.126 1.00 0.00 O ATOM 792 OD2 ASP A 53 -2.088 16.523 5.604 1.00 0.00 O ATOM 0 H ASP A 53 -0.613 16.604 2.243 1.00 0.00 H new ATOM 0 HA ASP A 53 1.312 14.859 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.222 15.599 5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.959 16.949 4.906 1.00 0.00 H new ATOM 797 N ASN A 54 -1.122 13.862 2.315 1.00 0.00 N ATOM 798 CA ASN A 54 -2.180 12.869 2.095 1.00 0.00 C ATOM 799 C ASN A 54 -1.903 11.546 2.808 1.00 0.00 C ATOM 800 O ASN A 54 -0.753 11.113 2.909 1.00 0.00 O ATOM 801 CB ASN A 54 -2.376 12.634 0.590 1.00 0.00 C ATOM 802 CG ASN A 54 -3.838 12.635 0.191 1.00 0.00 C ATOM 803 OD1 ASN A 54 -4.653 11.917 0.769 1.00 0.00 O ATOM 804 ND2 ASN A 54 -4.177 13.450 -0.800 1.00 0.00 N ATOM 0 H ASN A 54 -0.702 14.218 1.456 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.096 13.274 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.849 13.409 0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.927 11.680 0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.147 13.499 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.467 14.028 -1.251 1.00 0.00 H new ATOM 811 N TYR A 55 -2.974 10.903 3.298 1.00 0.00 N ATOM 812 CA TYR A 55 -2.844 9.623 3.996 1.00 0.00 C ATOM 813 C TYR A 55 -3.145 8.469 3.046 1.00 0.00 C ATOM 814 O TYR A 55 -4.228 8.405 2.461 1.00 0.00 O ATOM 815 CB TYR A 55 -3.774 9.575 5.213 1.00 0.00 C ATOM 816 CG TYR A 55 -3.043 9.413 6.531 1.00 0.00 C ATOM 817 CD1 TYR A 55 -1.746 9.890 6.695 1.00 0.00 C ATOM 818 CD2 TYR A 55 -3.648 8.781 7.608 1.00 0.00 C ATOM 819 CE1 TYR A 55 -1.077 9.741 7.894 1.00 0.00 C ATOM 820 CE2 TYR A 55 -2.986 8.629 8.811 1.00 0.00 C ATOM 821 CZ TYR A 55 -1.701 9.111 8.949 1.00 0.00 C ATOM 822 OH TYR A 55 -1.039 8.962 10.146 1.00 0.00 O ATOM 0 H TYR A 55 -3.931 11.248 3.223 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.817 9.524 4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.364 10.491 5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.474 8.749 5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.254 10.385 5.871 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.654 8.401 7.504 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.070 10.116 8.004 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.472 8.135 9.639 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.619 8.498 10.785 1.00 0.00 H new ATOM 832 N TYR A 56 -2.173 7.571 2.878 1.00 0.00 N ATOM 833 CA TYR A 56 -2.327 6.440 1.973 1.00 0.00 C ATOM 834 C TYR A 56 -2.509 5.117 2.724 1.00 0.00 C ATOM 835 O TYR A 56 -1.841 4.853 3.725 1.00 0.00 O ATOM 836 CB TYR A 56 -1.109 6.344 1.045 1.00 0.00 C ATOM 837 CG TYR A 56 -0.936 7.529 0.107 1.00 0.00 C ATOM 838 CD1 TYR A 56 -0.605 8.786 0.600 1.00 0.00 C ATOM 839 CD2 TYR A 56 -1.091 7.389 -1.270 1.00 0.00 C ATOM 840 CE1 TYR A 56 -0.435 9.866 -0.245 1.00 0.00 C ATOM 841 CE2 TYR A 56 -0.924 8.466 -2.120 1.00 0.00 C ATOM 842 CZ TYR A 56 -0.596 9.701 -1.603 1.00 0.00 C ATOM 843 OH TYR A 56 -0.424 10.775 -2.448 1.00 0.00 O ATOM 0 H TYR A 56 -1.274 7.608 3.358 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.230 6.613 1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.211 6.245 1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.192 5.435 0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.478 8.921 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.346 6.423 -1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.177 10.835 0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.050 8.340 -3.185 1.00 0.00 H new ATOM 0 HH TYR A 56 0.306 11.339 -2.116 1.00 0.00 H new ATOM 853 N ASN A 57 -3.407 4.288 2.196 1.00 0.00 N ATOM 854 CA ASN A 57 -3.703 2.965 2.745 1.00 0.00 C ATOM 855 C ASN A 57 -3.814 1.990 1.582 1.00 0.00 C ATOM 856 O ASN A 57 -4.734 2.103 0.781 1.00 0.00 O ATOM 857 CB ASN A 57 -5.020 2.991 3.528 1.00 0.00 C ATOM 858 CG ASN A 57 -5.359 1.645 4.146 1.00 0.00 C ATOM 859 OD1 ASN A 57 -4.563 1.072 4.889 1.00 0.00 O ATOM 860 ND2 ASN A 57 -6.545 1.130 3.838 1.00 0.00 N ATOM 0 H ASN A 57 -3.955 4.517 1.367 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.910 2.660 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.956 3.742 4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.828 3.295 2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.824 0.227 4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.176 1.638 3.218 1.00 0.00 H new ATOM 867 N LEU A 58 -2.865 1.064 1.447 1.00 0.00 N ATOM 868 CA LEU A 58 -2.903 0.147 0.305 1.00 0.00 C ATOM 869 C LEU A 58 -2.646 -1.312 0.663 1.00 0.00 C ATOM 870 O LEU A 58 -2.166 -1.637 1.749 1.00 0.00 O ATOM 871 CB LEU A 58 -1.880 0.593 -0.740 1.00 0.00 C ATOM 872 CG LEU A 58 -2.147 1.959 -1.373 1.00 0.00 C ATOM 873 CD1 LEU A 58 -1.376 3.045 -0.641 1.00 0.00 C ATOM 874 CD2 LEU A 58 -1.779 1.944 -2.849 1.00 0.00 C ATOM 0 H LEU A 58 -2.084 0.929 2.090 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.920 0.194 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.895 0.613 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.844 -0.155 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.212 2.176 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.578 4.010 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.688 3.072 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.308 2.833 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.976 2.924 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.721 1.705 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.376 1.192 -3.365 1.00 0.00 H new ATOM 886 N ILE A 59 -2.962 -2.176 -0.305 1.00 0.00 N ATOM 887 CA ILE A 59 -2.773 -3.622 -0.184 1.00 0.00 C ATOM 888 C ILE A 59 -1.981 -4.135 -1.389 1.00 0.00 C ATOM 889 O ILE A 59 -2.353 -3.868 -2.532 1.00 0.00 O ATOM 890 CB ILE A 59 -4.118 -4.382 -0.131 1.00 0.00 C ATOM 891 CG1 ILE A 59 -5.151 -3.622 0.713 1.00 0.00 C ATOM 892 CG2 ILE A 59 -3.908 -5.794 0.403 1.00 0.00 C ATOM 893 CD1 ILE A 59 -5.117 -3.962 2.188 1.00 0.00 C ATOM 0 H ILE A 59 -3.359 -1.889 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.236 -3.802 0.747 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.511 -4.453 -1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.984 -2.551 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.147 -3.834 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.864 -6.317 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.222 -6.332 -0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.488 -5.744 1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.877 -3.383 2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.315 -5.026 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.134 -3.723 2.594 1.00 0.00 H new ATOM 905 N LEU A 60 -0.889 -4.856 -1.140 1.00 0.00 N ATOM 906 CA LEU A 60 -0.059 -5.377 -2.227 1.00 0.00 C ATOM 907 C LEU A 60 0.241 -6.868 -2.047 1.00 0.00 C ATOM 908 O LEU A 60 -0.024 -7.446 -0.988 1.00 0.00 O ATOM 909 CB LEU A 60 1.256 -4.590 -2.329 1.00 0.00 C ATOM 910 CG LEU A 60 1.189 -3.112 -1.930 1.00 0.00 C ATOM 911 CD1 LEU A 60 1.389 -2.948 -0.433 1.00 0.00 C ATOM 912 CD2 LEU A 60 2.229 -2.308 -2.693 1.00 0.00 C ATOM 0 H LEU A 60 -0.560 -5.092 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.624 -5.255 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.000 -5.081 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.614 -4.652 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 60 0.199 -2.735 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.338 -1.891 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.609 -3.491 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.364 -3.344 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.168 -1.261 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.224 -2.691 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.042 -2.395 -3.763 1.00 0.00 H new ATOM 924 N SER A 61 0.802 -7.479 -3.095 1.00 0.00 N ATOM 925 CA SER A 61 1.159 -8.898 -3.073 1.00 0.00 C ATOM 926 C SER A 61 2.629 -9.070 -2.699 1.00 0.00 C ATOM 927 O SER A 61 3.479 -8.291 -3.144 1.00 0.00 O ATOM 928 CB SER A 61 0.893 -9.540 -4.438 1.00 0.00 C ATOM 929 OG SER A 61 -0.473 -9.438 -4.796 1.00 0.00 O ATOM 0 H SER A 61 1.019 -7.008 -3.973 1.00 0.00 H new ATOM 0 HA SER A 61 0.541 -9.394 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.507 -9.055 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.187 -10.589 -4.413 1.00 0.00 H new ATOM 0 HG SER A 61 -0.608 -8.638 -5.345 1.00 0.00 H new ATOM 935 N ALA A 62 2.924 -10.088 -1.880 1.00 0.00 N ATOM 936 CA ALA A 62 4.298 -10.354 -1.441 1.00 0.00 C ATOM 937 C ALA A 62 4.513 -11.820 -1.060 1.00 0.00 C ATOM 938 O ALA A 62 3.608 -12.482 -0.547 1.00 0.00 O ATOM 939 CB ALA A 62 4.651 -9.455 -0.264 1.00 0.00 C ATOM 0 H ALA A 62 2.231 -10.738 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 62 4.955 -10.137 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.673 -9.659 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.567 -8.411 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.967 -9.651 0.561 1.00 0.00 H new ATOM 945 N LYS A 63 5.732 -12.307 -1.310 1.00 0.00 N ATOM 946 CA LYS A 63 6.116 -13.682 -0.996 1.00 0.00 C ATOM 947 C LYS A 63 7.607 -13.777 -0.674 1.00 0.00 C ATOM 948 O LYS A 63 8.369 -12.829 -0.900 1.00 0.00 O ATOM 949 CB LYS A 63 5.758 -14.655 -2.126 1.00 0.00 C ATOM 950 CG LYS A 63 5.611 -14.018 -3.498 1.00 0.00 C ATOM 951 CD LYS A 63 6.966 -13.730 -4.123 1.00 0.00 C ATOM 952 CE LYS A 63 7.152 -12.246 -4.398 1.00 0.00 C ATOM 953 NZ LYS A 63 7.598 -11.992 -5.796 1.00 0.00 N ATOM 0 H LYS A 63 6.479 -11.758 -1.736 1.00 0.00 H new ATOM 0 HA LYS A 63 5.545 -13.972 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.528 -15.425 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.824 -15.155 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.041 -14.681 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.044 -13.091 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.756 -14.079 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.064 -14.288 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.213 -11.723 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.885 -11.837 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.908 -11.003 -5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.389 -12.625 -6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.809 -12.170 -6.450 1.00 0.00 H new ATOM 967 N HIS A 64 8.008 -14.918 -0.115 1.00 0.00 N ATOM 968 CA HIS A 64 9.398 -15.153 0.263 1.00 0.00 C ATOM 969 C HIS A 64 10.128 -16.048 -0.750 1.00 0.00 C ATOM 970 O HIS A 64 11.333 -16.269 -0.620 1.00 0.00 O ATOM 971 CB HIS A 64 9.455 -15.798 1.649 1.00 0.00 C ATOM 972 CG HIS A 64 9.270 -14.828 2.774 1.00 0.00 C ATOM 973 ND1 HIS A 64 9.977 -14.903 3.955 1.00 0.00 N ATOM 974 CD2 HIS A 64 8.451 -13.758 2.897 1.00 0.00 C ATOM 975 CE1 HIS A 64 9.599 -13.923 4.754 1.00 0.00 C ATOM 976 NE2 HIS A 64 8.675 -13.213 4.136 1.00 0.00 N ATOM 0 H HIS A 64 7.383 -15.699 0.087 1.00 0.00 H new ATOM 0 HA HIS A 64 9.902 -14.187 0.277 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.685 -16.567 1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.416 -16.299 1.767 1.00 0.00 H new ATOM 0 HD1 HIS A 64 10.682 -15.606 4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.751 -13.399 2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 64 9.982 -13.734 5.746 1.00 0.00 H new ATOM 985 N SER A 65 9.407 -16.573 -1.751 1.00 0.00 N ATOM 986 CA SER A 65 10.021 -17.448 -2.753 1.00 0.00 C ATOM 987 C SER A 65 9.319 -17.351 -4.111 1.00 0.00 C ATOM 988 O SER A 65 8.106 -17.142 -4.183 1.00 0.00 O ATOM 989 CB SER A 65 10.008 -18.899 -2.257 1.00 0.00 C ATOM 990 OG SER A 65 9.181 -19.726 -3.061 1.00 0.00 O ATOM 0 H SER A 65 8.409 -16.408 -1.886 1.00 0.00 H new ATOM 0 HA SER A 65 11.050 -17.116 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.025 -19.292 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.656 -18.927 -1.226 1.00 0.00 H new ATOM 0 HG SER A 65 9.321 -20.665 -2.817 1.00 0.00 H new ATOM 996 N PRO A 66 10.084 -17.529 -5.209 1.00 0.00 N ATOM 997 CA PRO A 66 9.547 -17.483 -6.578 1.00 0.00 C ATOM 998 C PRO A 66 8.551 -18.609 -6.854 1.00 0.00 C ATOM 999 O PRO A 66 7.589 -18.423 -7.597 1.00 0.00 O ATOM 1000 CB PRO A 66 10.790 -17.645 -7.461 1.00 0.00 C ATOM 1001 CG PRO A 66 11.796 -18.311 -6.589 1.00 0.00 C ATOM 1002 CD PRO A 66 11.533 -17.808 -5.199 1.00 0.00 C ATOM 0 HA PRO A 66 8.994 -16.562 -6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.572 -18.247 -8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.152 -16.680 -7.815 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.698 -19.395 -6.637 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.810 -18.068 -6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.795 -18.551 -4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.114 -16.912 -4.978 1.00 0.00 H new ATOM 1010 N HIS A 67 8.790 -19.776 -6.251 1.00 0.00 N ATOM 1011 CA HIS A 67 7.915 -20.933 -6.432 1.00 0.00 C ATOM 1012 C HIS A 67 6.801 -20.978 -5.380 1.00 0.00 C ATOM 1013 O HIS A 67 6.144 -22.008 -5.217 1.00 0.00 O ATOM 1014 CB HIS A 67 8.735 -22.227 -6.370 1.00 0.00 C ATOM 1015 CG HIS A 67 9.514 -22.516 -7.617 1.00 0.00 C ATOM 1016 ND1 HIS A 67 9.874 -23.791 -7.998 1.00 0.00 N ATOM 1017 CD2 HIS A 67 10.005 -21.688 -8.570 1.00 0.00 C ATOM 1018 CE1 HIS A 67 10.552 -23.735 -9.130 1.00 0.00 C ATOM 1019 NE2 HIS A 67 10.646 -22.472 -9.498 1.00 0.00 N ATOM 0 H HIS A 67 9.584 -19.943 -5.633 1.00 0.00 H new ATOM 0 HA HIS A 67 7.447 -20.839 -7.412 1.00 0.00 H new ATOM 0 HB2 HIS A 67 9.425 -22.168 -5.528 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.063 -23.062 -6.172 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.910 -20.612 -8.595 1.00 0.00 H new ATOM 0 HE1 HIS A 67 10.960 -24.580 -9.664 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.118 -22.132 -10.336 1.00 0.00 H new ATOM 1028 N GLU A 68 6.588 -19.869 -4.663 1.00 0.00 N ATOM 1029 CA GLU A 68 5.555 -19.819 -3.634 1.00 0.00 C ATOM 1030 C GLU A 68 4.423 -18.865 -4.006 1.00 0.00 C ATOM 1031 O GLU A 68 4.535 -18.076 -4.946 1.00 0.00 O ATOM 1032 CB GLU A 68 6.162 -19.418 -2.290 1.00 0.00 C ATOM 1033 CG GLU A 68 6.731 -20.598 -1.519 1.00 0.00 C ATOM 1034 CD GLU A 68 7.772 -20.198 -0.488 1.00 0.00 C ATOM 1035 OE1 GLU A 68 7.636 -19.108 0.110 1.00 0.00 O ATOM 1036 OE2 GLU A 68 8.721 -20.978 -0.274 1.00 0.00 O ATOM 0 H GLU A 68 7.115 -19.003 -4.778 1.00 0.00 H new ATOM 0 HA GLU A 68 5.129 -20.819 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.952 -18.686 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.399 -18.929 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.917 -21.122 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.178 -21.301 -2.222 1.00 0.00 H new ATOM 1043 N PHE A 69 3.327 -18.963 -3.257 1.00 0.00 N ATOM 1044 CA PHE A 69 2.142 -18.135 -3.478 1.00 0.00 C ATOM 1045 C PHE A 69 2.422 -16.656 -3.232 1.00 0.00 C ATOM 1046 O PHE A 69 3.522 -16.277 -2.843 1.00 0.00 O ATOM 1047 CB PHE A 69 1.017 -18.583 -2.540 1.00 0.00 C ATOM 1048 CG PHE A 69 0.229 -19.759 -3.032 1.00 0.00 C ATOM 1049 CD1 PHE A 69 0.863 -20.907 -3.481 1.00 0.00 C ATOM 1050 CD2 PHE A 69 -1.153 -19.716 -3.034 1.00 0.00 C ATOM 1051 CE1 PHE A 69 0.128 -21.988 -3.924 1.00 0.00 C ATOM 1052 CE2 PHE A 69 -1.892 -20.792 -3.473 1.00 0.00 C ATOM 1053 CZ PHE A 69 -1.252 -21.931 -3.921 1.00 0.00 C ATOM 0 H PHE A 69 3.235 -19.618 -2.480 1.00 0.00 H new ATOM 0 HA PHE A 69 1.850 -18.260 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.447 -18.830 -1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.337 -17.746 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.942 -20.956 -3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.659 -18.827 -2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.631 -22.878 -4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.971 -20.745 -3.467 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.829 -22.775 -4.268 1.00 0.00 H new ATOM 1063 N SER A 70 1.391 -15.838 -3.432 1.00 0.00 N ATOM 1064 CA SER A 70 1.470 -14.398 -3.205 1.00 0.00 C ATOM 1065 C SER A 70 0.310 -13.996 -2.313 1.00 0.00 C ATOM 1066 O SER A 70 -0.852 -14.217 -2.662 1.00 0.00 O ATOM 1067 CB SER A 70 1.424 -13.609 -4.521 1.00 0.00 C ATOM 1068 OG SER A 70 1.688 -14.438 -5.640 1.00 0.00 O ATOM 0 H SER A 70 0.477 -16.155 -3.756 1.00 0.00 H new ATOM 0 HA SER A 70 2.422 -14.165 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.443 -13.147 -4.634 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.155 -12.801 -4.486 1.00 0.00 H new ATOM 0 HG SER A 70 1.649 -13.903 -6.460 1.00 0.00 H new ATOM 1074 N LYS A 71 0.620 -13.441 -1.150 1.00 0.00 N ATOM 1075 CA LYS A 71 -0.417 -13.056 -0.204 1.00 0.00 C ATOM 1076 C LYS A 71 -0.587 -11.542 -0.134 1.00 0.00 C ATOM 1077 O LYS A 71 0.244 -10.786 -0.638 1.00 0.00 O ATOM 1078 CB LYS A 71 -0.105 -13.640 1.175 1.00 0.00 C ATOM 1079 CG LYS A 71 -0.594 -15.075 1.341 1.00 0.00 C ATOM 1080 CD LYS A 71 0.248 -16.066 0.546 1.00 0.00 C ATOM 1081 CE LYS A 71 1.207 -16.835 1.442 1.00 0.00 C ATOM 1082 NZ LYS A 71 2.105 -17.733 0.660 1.00 0.00 N ATOM 0 H LYS A 71 1.573 -13.249 -0.841 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.365 -13.464 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.972 -13.608 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.565 -13.015 1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.570 -15.345 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.633 -15.143 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.407 -16.767 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.813 -15.533 -0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.809 -16.131 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.638 -17.427 2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.012 -17.836 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.659 -18.667 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.271 -17.324 -0.281 1.00 0.00 H new ATOM 1096 N PHE A 72 -1.692 -11.115 0.470 1.00 0.00 N ATOM 1097 CA PHE A 72 -2.012 -9.696 0.591 1.00 0.00 C ATOM 1098 C PHE A 72 -1.461 -9.098 1.881 1.00 0.00 C ATOM 1099 O PHE A 72 -1.410 -9.764 2.913 1.00 0.00 O ATOM 1100 CB PHE A 72 -3.531 -9.496 0.556 1.00 0.00 C ATOM 1101 CG PHE A 72 -4.139 -9.596 -0.817 1.00 0.00 C ATOM 1102 CD1 PHE A 72 -3.791 -10.625 -1.677 1.00 0.00 C ATOM 1103 CD2 PHE A 72 -5.066 -8.659 -1.242 1.00 0.00 C ATOM 1104 CE1 PHE A 72 -4.355 -10.717 -2.934 1.00 0.00 C ATOM 1105 CE2 PHE A 72 -5.633 -8.746 -2.499 1.00 0.00 C ATOM 1106 CZ PHE A 72 -5.277 -9.776 -3.346 1.00 0.00 C ATOM 0 H PHE A 72 -2.386 -11.736 0.886 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.545 -9.185 -0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.998 -10.239 1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.766 -8.517 0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.070 -11.364 -1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.349 -7.851 -0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.075 -11.525 -3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.354 -8.008 -2.819 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.719 -9.846 -4.329 1.00 0.00 H new ATOM 1116 N TYR A 73 -1.073 -7.825 1.809 1.00 0.00 N ATOM 1117 CA TYR A 73 -0.554 -7.099 2.961 1.00 0.00 C ATOM 1118 C TYR A 73 -1.073 -5.662 2.929 1.00 0.00 C ATOM 1119 O TYR A 73 -1.103 -5.041 1.871 1.00 0.00 O ATOM 1120 CB TYR A 73 0.980 -7.094 2.969 1.00 0.00 C ATOM 1121 CG TYR A 73 1.619 -8.459 2.816 1.00 0.00 C ATOM 1122 CD1 TYR A 73 1.648 -9.105 1.586 1.00 0.00 C ATOM 1123 CD2 TYR A 73 2.201 -9.098 3.904 1.00 0.00 C ATOM 1124 CE1 TYR A 73 2.236 -10.346 1.447 1.00 0.00 C ATOM 1125 CE2 TYR A 73 2.792 -10.339 3.770 1.00 0.00 C ATOM 1126 CZ TYR A 73 2.806 -10.959 2.540 1.00 0.00 C ATOM 1127 OH TYR A 73 3.394 -12.195 2.402 1.00 0.00 O ATOM 0 H TYR A 73 -1.110 -7.272 0.953 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.896 -7.599 3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.332 -6.451 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.323 -6.650 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.203 -8.628 0.725 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.191 -8.616 4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.249 -10.835 0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.241 -10.821 4.626 1.00 0.00 H new ATOM 0 HH TYR A 73 3.520 -12.393 1.450 1.00 0.00 H new ATOM 1137 N ASN A 74 -1.483 -5.144 4.087 1.00 0.00 N ATOM 1138 CA ASN A 74 -2.006 -3.781 4.187 1.00 0.00 C ATOM 1139 C ASN A 74 -1.035 -2.883 4.944 1.00 0.00 C ATOM 1140 O ASN A 74 -0.566 -3.234 6.028 1.00 0.00 O ATOM 1141 CB ASN A 74 -3.368 -3.782 4.889 1.00 0.00 C ATOM 1142 CG ASN A 74 -4.110 -2.462 4.751 1.00 0.00 C ATOM 1143 OD1 ASN A 74 -3.604 -1.506 4.164 1.00 0.00 O ATOM 1144 ND2 ASN A 74 -5.322 -2.405 5.293 1.00 0.00 N ATOM 0 H ASN A 74 -1.463 -5.650 4.972 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.126 -3.390 3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.982 -4.582 4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.225 -4.003 5.947 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.869 -1.546 5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.706 -3.220 5.771 1.00 0.00 H new ATOM 1151 N VAL A 75 -0.730 -1.724 4.360 1.00 0.00 N ATOM 1152 CA VAL A 75 0.197 -0.779 4.974 1.00 0.00 C ATOM 1153 C VAL A 75 -0.379 0.627 5.049 1.00 0.00 C ATOM 1154 O VAL A 75 -1.098 1.076 4.147 1.00 0.00 O ATOM 1155 CB VAL A 75 1.538 -0.701 4.206 1.00 0.00 C ATOM 1156 CG1 VAL A 75 2.281 -2.023 4.285 1.00 0.00 C ATOM 1157 CG2 VAL A 75 1.312 -0.297 2.756 1.00 0.00 C ATOM 0 H VAL A 75 -1.111 -1.419 3.464 1.00 0.00 H new ATOM 0 HA VAL A 75 0.368 -1.159 5.981 1.00 0.00 H new ATOM 0 HB VAL A 75 2.153 0.065 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.221 -1.945 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.487 -2.263 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.669 -2.811 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.270 -0.249 2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.672 -1.033 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.832 0.681 2.721 1.00 0.00 H new ATOM 1167 N VAL A 76 -0.002 1.324 6.116 1.00 0.00 N ATOM 1168 CA VAL A 76 -0.402 2.703 6.330 1.00 0.00 C ATOM 1169 C VAL A 76 0.800 3.581 6.048 1.00 0.00 C ATOM 1170 O VAL A 76 1.784 3.541 6.785 1.00 0.00 O ATOM 1171 CB VAL A 76 -0.886 2.960 7.773 1.00 0.00 C ATOM 1172 CG1 VAL A 76 -1.556 4.322 7.881 1.00 0.00 C ATOM 1173 CG2 VAL A 76 -1.827 1.856 8.237 1.00 0.00 C ATOM 0 H VAL A 76 0.590 0.945 6.855 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.236 2.928 5.666 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.014 2.956 8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.890 4.483 8.906 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.845 5.100 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.414 4.360 7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.154 2.061 9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.695 1.817 7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.307 0.899 8.208 1.00 0.00 H new ATOM 1183 N VAL A 77 0.743 4.338 4.965 1.00 0.00 N ATOM 1184 CA VAL A 77 1.856 5.187 4.586 1.00 0.00 C ATOM 1185 C VAL A 77 1.457 6.655 4.570 1.00 0.00 C ATOM 1186 O VAL A 77 0.361 7.009 4.132 1.00 0.00 O ATOM 1187 CB VAL A 77 2.423 4.783 3.211 1.00 0.00 C ATOM 1188 CG1 VAL A 77 3.807 5.368 3.024 1.00 0.00 C ATOM 1189 CG2 VAL A 77 2.469 3.267 3.069 1.00 0.00 C ATOM 0 H VAL A 77 -0.059 4.381 4.336 1.00 0.00 H new ATOM 0 HA VAL A 77 2.632 5.049 5.338 1.00 0.00 H new ATOM 0 HB VAL A 77 1.764 5.179 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.197 5.076 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.753 6.455 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.468 4.995 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.873 3.005 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.106 2.848 3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.462 2.862 3.166 1.00 0.00 H new ATOM 1199 N LEU A 78 2.358 7.498 5.065 1.00 0.00 N ATOM 1200 CA LEU A 78 2.126 8.932 5.130 1.00 0.00 C ATOM 1201 C LEU A 78 3.101 9.686 4.224 1.00 0.00 C ATOM 1202 O LEU A 78 4.317 9.507 4.315 1.00 0.00 O ATOM 1203 CB LEU A 78 2.263 9.405 6.578 1.00 0.00 C ATOM 1204 CG LEU A 78 2.461 10.913 6.765 1.00 0.00 C ATOM 1205 CD1 LEU A 78 1.372 11.699 6.045 1.00 0.00 C ATOM 1206 CD2 LEU A 78 2.480 11.266 8.242 1.00 0.00 C ATOM 0 H LEU A 78 3.264 7.206 5.430 1.00 0.00 H new ATOM 0 HA LEU A 78 1.116 9.142 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.371 9.103 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.107 8.887 7.033 1.00 0.00 H new ATOM 0 HG LEU A 78 3.422 11.186 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.535 12.766 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.403 11.472 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.397 11.422 6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.621 12.341 8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.534 10.973 8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.298 10.738 8.732 1.00 0.00 H new ATOM 1218 N GLU A 79 2.549 10.533 3.355 1.00 0.00 N ATOM 1219 CA GLU A 79 3.345 11.333 2.426 1.00 0.00 C ATOM 1220 C GLU A 79 3.695 12.679 3.069 1.00 0.00 C ATOM 1221 O GLU A 79 2.806 13.385 3.544 1.00 0.00 O ATOM 1222 CB GLU A 79 2.554 11.528 1.118 1.00 0.00 C ATOM 1223 CG GLU A 79 2.692 12.905 0.485 1.00 0.00 C ATOM 1224 CD GLU A 79 1.624 13.177 -0.555 1.00 0.00 C ATOM 1225 OE1 GLU A 79 0.549 13.689 -0.181 1.00 0.00 O ATOM 1226 OE2 GLU A 79 1.862 12.877 -1.744 1.00 0.00 O ATOM 0 H GLU A 79 1.543 10.683 3.276 1.00 0.00 H new ATOM 0 HA GLU A 79 4.277 10.818 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.881 10.778 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.499 11.340 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.638 13.666 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.675 12.991 0.022 1.00 0.00 H new ATOM 1233 N LYS A 80 4.986 13.028 3.100 1.00 0.00 N ATOM 1234 CA LYS A 80 5.412 14.291 3.709 1.00 0.00 C ATOM 1235 C LYS A 80 6.249 15.140 2.758 1.00 0.00 C ATOM 1236 O LYS A 80 7.167 14.643 2.100 1.00 0.00 O ATOM 1237 CB LYS A 80 6.202 14.031 4.994 1.00 0.00 C ATOM 1238 CG LYS A 80 5.508 14.536 6.248 1.00 0.00 C ATOM 1239 CD LYS A 80 5.083 13.392 7.156 1.00 0.00 C ATOM 1240 CE LYS A 80 5.721 13.506 8.531 1.00 0.00 C ATOM 1241 NZ LYS A 80 4.991 12.709 9.555 1.00 0.00 N ATOM 0 H LYS A 80 5.743 12.463 2.716 1.00 0.00 H new ATOM 0 HA LYS A 80 4.505 14.848 3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.377 12.960 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.179 14.508 4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.178 15.202 6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.633 15.123 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.998 13.390 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.363 12.442 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.756 13.168 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.743 14.553 8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.479 12.788 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.020 13.070 9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.963 11.711 9.263 1.00 0.00 H new ATOM 1255 N ALA A 81 5.933 16.436 2.717 1.00 0.00 N ATOM 1256 CA ALA A 81 6.655 17.387 1.877 1.00 0.00 C ATOM 1257 C ALA A 81 7.831 18.001 2.638 1.00 0.00 C ATOM 1258 O ALA A 81 8.857 18.334 2.043 1.00 0.00 O ATOM 1259 CB ALA A 81 5.714 18.476 1.384 1.00 0.00 C ATOM 0 H ALA A 81 5.176 16.851 3.261 1.00 0.00 H new ATOM 0 HA ALA A 81 7.051 16.851 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.266 19.178 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.910 18.026 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.291 19.005 2.238 1.00 0.00 H new ATOM 1265 N SER A 82 7.674 18.138 3.961 1.00 0.00 N ATOM 1266 CA SER A 82 8.720 18.699 4.818 1.00 0.00 C ATOM 1267 C SER A 82 10.029 17.926 4.662 1.00 0.00 C ATOM 1268 O SER A 82 11.108 18.519 4.636 1.00 0.00 O ATOM 1269 CB SER A 82 8.276 18.678 6.283 1.00 0.00 C ATOM 1270 OG SER A 82 7.688 19.912 6.655 1.00 0.00 O ATOM 0 H SER A 82 6.827 17.866 4.461 1.00 0.00 H new ATOM 0 HA SER A 82 8.889 19.731 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.561 17.870 6.438 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.134 18.473 6.923 1.00 0.00 H new ATOM 0 HG SER A 82 7.411 19.873 7.594 1.00 0.00 H new ATOM 1276 N ASP A 83 9.923 16.601 4.548 1.00 0.00 N ATOM 1277 CA ASP A 83 11.095 15.747 4.380 1.00 0.00 C ATOM 1278 C ASP A 83 11.343 15.427 2.898 1.00 0.00 C ATOM 1279 O ASP A 83 12.365 14.835 2.551 1.00 0.00 O ATOM 1280 CB ASP A 83 10.923 14.454 5.192 1.00 0.00 C ATOM 1281 CG ASP A 83 10.346 13.307 4.380 1.00 0.00 C ATOM 1282 OD1 ASP A 83 9.151 13.371 4.021 1.00 0.00 O ATOM 1283 OD2 ASP A 83 11.092 12.346 4.105 1.00 0.00 O ATOM 0 H ASP A 83 9.036 16.098 4.569 1.00 0.00 H new ATOM 0 HA ASP A 83 11.967 16.285 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.891 14.154 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.271 14.652 6.043 1.00 0.00 H new ATOM 1288 N ASN A 84 10.396 15.819 2.032 1.00 0.00 N ATOM 1289 CA ASN A 84 10.497 15.577 0.594 1.00 0.00 C ATOM 1290 C ASN A 84 10.656 14.085 0.299 1.00 0.00 C ATOM 1291 O ASN A 84 11.553 13.675 -0.440 1.00 0.00 O ATOM 1292 CB ASN A 84 11.655 16.380 -0.010 1.00 0.00 C ATOM 1293 CG ASN A 84 11.165 17.472 -0.942 1.00 0.00 C ATOM 1294 OD1 ASN A 84 10.993 18.620 -0.533 1.00 0.00 O ATOM 1295 ND2 ASN A 84 10.934 17.120 -2.202 1.00 0.00 N ATOM 0 H ASN A 84 9.546 16.309 2.311 1.00 0.00 H new ATOM 0 HA ASN A 84 9.570 15.913 0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.244 16.825 0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.316 15.707 -0.556 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.601 17.813 -2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.090 16.157 -2.499 1.00 0.00 H new ATOM 1302 N SER A 85 9.771 13.277 0.884 1.00 0.00 N ATOM 1303 CA SER A 85 9.801 11.836 0.690 1.00 0.00 C ATOM 1304 C SER A 85 8.572 11.176 1.314 1.00 0.00 C ATOM 1305 O SER A 85 7.674 11.851 1.826 1.00 0.00 O ATOM 1306 CB SER A 85 11.077 11.240 1.293 1.00 0.00 C ATOM 1307 OG SER A 85 11.545 10.149 0.521 1.00 0.00 O ATOM 0 H SER A 85 9.024 13.602 1.497 1.00 0.00 H new ATOM 0 HA SER A 85 9.792 11.641 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.849 12.007 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.881 10.910 2.313 1.00 0.00 H new ATOM 0 HG SER A 85 12.361 9.788 0.926 1.00 0.00 H new ATOM 1313 N LEU A 86 8.552 9.850 1.271 1.00 0.00 N ATOM 1314 CA LEU A 86 7.452 9.071 1.830 1.00 0.00 C ATOM 1315 C LEU A 86 7.807 8.585 3.232 1.00 0.00 C ATOM 1316 O LEU A 86 8.969 8.636 3.638 1.00 0.00 O ATOM 1317 CB LEU A 86 7.117 7.864 0.937 1.00 0.00 C ATOM 1318 CG LEU A 86 7.153 8.099 -0.581 1.00 0.00 C ATOM 1319 CD1 LEU A 86 6.365 9.346 -0.952 1.00 0.00 C ATOM 1320 CD2 LEU A 86 8.585 8.195 -1.086 1.00 0.00 C ATOM 0 H LEU A 86 9.291 9.287 0.851 1.00 0.00 H new ATOM 0 HA LEU A 86 6.577 9.719 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.815 7.061 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.121 7.510 1.203 1.00 0.00 H new ATOM 0 HG LEU A 86 6.684 7.242 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.404 9.493 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.328 9.227 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.798 10.212 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.581 8.361 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.090 9.026 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.112 7.267 -0.864 1.00 0.00 H new ATOM 1332 N LYS A 87 6.803 8.116 3.972 1.00 0.00 N ATOM 1333 CA LYS A 87 7.023 7.625 5.328 1.00 0.00 C ATOM 1334 C LYS A 87 6.073 6.481 5.656 1.00 0.00 C ATOM 1335 O LYS A 87 4.855 6.627 5.573 1.00 0.00 O ATOM 1336 CB LYS A 87 6.860 8.763 6.333 1.00 0.00 C ATOM 1337 CG LYS A 87 7.134 8.364 7.774 1.00 0.00 C ATOM 1338 CD LYS A 87 5.882 7.843 8.467 1.00 0.00 C ATOM 1339 CE LYS A 87 5.008 8.979 8.975 1.00 0.00 C ATOM 1340 NZ LYS A 87 5.266 9.287 10.410 1.00 0.00 N ATOM 0 H LYS A 87 5.835 8.066 3.656 1.00 0.00 H new ATOM 0 HA LYS A 87 8.042 7.243 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.533 9.575 6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.845 9.153 6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.908 7.597 7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.521 9.224 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.311 7.227 7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.167 7.202 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.189 9.871 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.959 8.715 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.649 10.067 10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.069 8.444 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.261 9.565 10.532 1.00 0.00 H new ATOM 1354 N LEU A 88 6.648 5.342 6.026 1.00 0.00 N ATOM 1355 CA LEU A 88 5.870 4.158 6.367 1.00 0.00 C ATOM 1356 C LEU A 88 5.381 4.220 7.815 1.00 0.00 C ATOM 1357 O LEU A 88 6.176 4.148 8.753 1.00 0.00 O ATOM 1358 CB LEU A 88 6.720 2.904 6.144 1.00 0.00 C ATOM 1359 CG LEU A 88 5.957 1.599 5.892 1.00 0.00 C ATOM 1360 CD1 LEU A 88 6.722 0.426 6.483 1.00 0.00 C ATOM 1361 CD2 LEU A 88 4.548 1.658 6.466 1.00 0.00 C ATOM 0 H LEU A 88 7.657 5.214 6.097 1.00 0.00 H new ATOM 0 HA LEU A 88 4.993 4.119 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.378 3.084 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.358 2.764 7.017 1.00 0.00 H new ATOM 0 HG LEU A 88 5.869 1.462 4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.172 -0.497 6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.705 0.361 6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.838 0.571 7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.035 0.716 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.600 1.825 7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.998 2.475 5.998 1.00 0.00 H new ATOM 1373 N VAL A 89 4.065 4.346 7.987 1.00 0.00 N ATOM 1374 CA VAL A 89 3.465 4.409 9.319 1.00 0.00 C ATOM 1375 C VAL A 89 3.440 3.024 9.967 1.00 0.00 C ATOM 1376 O VAL A 89 3.855 2.866 11.115 1.00 0.00 O ATOM 1377 CB VAL A 89 2.025 4.980 9.289 1.00 0.00 C ATOM 1378 CG1 VAL A 89 1.620 5.482 10.667 1.00 0.00 C ATOM 1379 CG2 VAL A 89 1.889 6.090 8.250 1.00 0.00 C ATOM 0 H VAL A 89 3.395 4.406 7.221 1.00 0.00 H new ATOM 0 HA VAL A 89 4.087 5.083 9.908 1.00 0.00 H new ATOM 0 HB VAL A 89 1.352 4.172 9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.606 5.879 10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.659 4.658 11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.305 6.268 10.984 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.867 6.469 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.578 6.900 8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.125 5.695 7.262 1.00 0.00 H new ATOM 1389 N ALA A 90 2.951 2.020 9.228 1.00 0.00 N ATOM 1390 CA ALA A 90 2.879 0.653 9.747 1.00 0.00 C ATOM 1391 C ALA A 90 2.720 -0.386 8.630 1.00 0.00 C ATOM 1392 O ALA A 90 2.216 -0.081 7.547 1.00 0.00 O ATOM 1393 CB ALA A 90 1.731 0.534 10.738 1.00 0.00 C ATOM 0 H ALA A 90 2.602 2.130 8.276 1.00 0.00 H new ATOM 0 HA ALA A 90 3.823 0.445 10.250 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.684 -0.486 11.120 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.892 1.224 11.566 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.793 0.778 10.239 1.00 0.00 H new ATOM 1399 N PHE A 91 3.144 -1.621 8.919 1.00 0.00 N ATOM 1400 CA PHE A 91 3.047 -2.734 7.970 1.00 0.00 C ATOM 1401 C PHE A 91 2.250 -3.878 8.607 1.00 0.00 C ATOM 1402 O PHE A 91 2.579 -4.335 9.703 1.00 0.00 O ATOM 1403 CB PHE A 91 4.457 -3.192 7.550 1.00 0.00 C ATOM 1404 CG PHE A 91 4.488 -4.246 6.472 1.00 0.00 C ATOM 1405 CD1 PHE A 91 3.856 -5.468 6.648 1.00 0.00 C ATOM 1406 CD2 PHE A 91 5.164 -4.015 5.284 1.00 0.00 C ATOM 1407 CE1 PHE A 91 3.895 -6.434 5.661 1.00 0.00 C ATOM 1408 CE2 PHE A 91 5.209 -4.979 4.295 1.00 0.00 C ATOM 1409 CZ PHE A 91 4.572 -6.189 4.484 1.00 0.00 C ATOM 0 H PHE A 91 3.562 -1.876 9.814 1.00 0.00 H new ATOM 0 HA PHE A 91 2.522 -2.411 7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.017 -2.323 7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.975 -3.577 8.429 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.327 -5.667 7.568 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.662 -3.069 5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.396 -7.380 5.811 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.742 -4.786 3.376 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.604 -6.943 3.711 1.00 0.00 H new ATOM 1419 N VAL A 92 1.176 -4.306 7.936 1.00 0.00 N ATOM 1420 CA VAL A 92 0.305 -5.363 8.465 1.00 0.00 C ATOM 1421 C VAL A 92 -0.004 -6.442 7.422 1.00 0.00 C ATOM 1422 O VAL A 92 -0.202 -6.139 6.248 1.00 0.00 O ATOM 1423 CB VAL A 92 -1.034 -4.764 8.953 1.00 0.00 C ATOM 1424 CG1 VAL A 92 -1.794 -5.753 9.823 1.00 0.00 C ATOM 1425 CG2 VAL A 92 -0.802 -3.460 9.704 1.00 0.00 C ATOM 0 H VAL A 92 0.889 -3.939 7.029 1.00 0.00 H new ATOM 0 HA VAL A 92 0.846 -5.823 9.292 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.642 -4.551 8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.731 -5.304 10.151 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.006 -6.655 9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.191 -6.010 10.694 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.758 -3.057 10.038 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.165 -3.646 10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.316 -2.741 9.044 1.00 0.00 H new ATOM 1435 N PRO A 93 -0.077 -7.723 7.847 1.00 0.00 N ATOM 1436 CA PRO A 93 -0.394 -8.838 6.949 1.00 0.00 C ATOM 1437 C PRO A 93 -1.891 -8.921 6.650 1.00 0.00 C ATOM 1438 O PRO A 93 -2.718 -8.738 7.545 1.00 0.00 O ATOM 1439 CB PRO A 93 0.054 -10.056 7.749 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.172 -9.663 9.165 1.00 0.00 C ATOM 1441 CD PRO A 93 0.122 -8.187 9.238 1.00 0.00 C ATOM 0 HA PRO A 93 0.090 -8.742 5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.524 -10.941 7.484 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.102 -10.292 7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.198 -9.872 9.469 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.480 -10.224 9.835 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.549 -7.678 9.930 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.139 -7.997 9.582 1.00 0.00 H new ATOM 1449 N LEU A 94 -2.235 -9.191 5.393 1.00 0.00 N ATOM 1450 CA LEU A 94 -3.638 -9.292 4.988 1.00 0.00 C ATOM 1451 C LEU A 94 -3.986 -10.710 4.520 1.00 0.00 C ATOM 1452 O LEU A 94 -4.735 -10.889 3.557 1.00 0.00 O ATOM 1453 CB LEU A 94 -3.945 -8.272 3.879 1.00 0.00 C ATOM 1454 CG LEU A 94 -4.659 -6.992 4.332 1.00 0.00 C ATOM 1455 CD1 LEU A 94 -6.167 -7.145 4.203 1.00 0.00 C ATOM 1456 CD2 LEU A 94 -4.280 -6.628 5.763 1.00 0.00 C ATOM 0 H LEU A 94 -1.566 -9.344 4.639 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.255 -9.069 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.008 -7.992 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.559 -8.760 3.122 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.336 -6.180 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.655 -6.227 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.425 -7.343 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.503 -7.975 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.801 -5.717 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.564 -7.440 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.204 -6.466 5.824 1.00 0.00 H new ATOM 1468 N PHE A 95 -3.446 -11.718 5.212 1.00 0.00 N ATOM 1469 CA PHE A 95 -3.713 -13.115 4.863 1.00 0.00 C ATOM 1470 C PHE A 95 -4.106 -13.929 6.097 1.00 0.00 C ATOM 1471 O PHE A 95 -3.366 -13.883 7.103 1.00 0.00 O ATOM 1472 CB PHE A 95 -2.496 -13.747 4.171 1.00 0.00 C ATOM 1473 CG PHE A 95 -1.195 -13.539 4.898 1.00 0.00 C ATOM 1474 CD1 PHE A 95 -0.511 -12.339 4.790 1.00 0.00 C ATOM 1475 CD2 PHE A 95 -0.659 -14.543 5.687 1.00 0.00 C ATOM 1476 CE1 PHE A 95 0.683 -12.145 5.456 1.00 0.00 C ATOM 1477 CE2 PHE A 95 0.535 -14.353 6.355 1.00 0.00 C ATOM 1478 CZ PHE A 95 1.206 -13.153 6.239 1.00 0.00 C ATOM 1479 OXT PHE A 95 -5.156 -14.602 6.048 1.00 0.00 O ATOM 0 H PHE A 95 -2.825 -11.593 6.012 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.552 -13.127 4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.670 -14.817 4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.408 -13.333 3.166 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.916 -11.547 4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.180 -15.484 5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.207 -11.205 5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.943 -15.143 6.968 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.140 -13.003 6.761 1.00 0.00 H new