USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 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 105 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.8) USER MOD Set 1.2: A 106 TYR OH : rot 104:sc= 0.0556 USER MOD Set 2.1: A 50 CYS SG : rot -57:sc= -2.9! USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0.00265 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0185 K(o=-0.018,f=-1.6!) USER MOD Single : A 14 HIS : no HD1:sc= -0.282 K(o=-0.28,f=-3.4!) USER MOD Single : A 16 ASN : amide:sc= -0.925 X(o=-0.93,f=-1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 90:sc= 1.16 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -90:sc= -0.282 USER MOD Single : A 40 SER OG : rot 130:sc= -0.732 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.4!) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -6.67! C(o=-6.7!,f=-20!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 135:sc= -1.85! (180deg=-3.48!) USER MOD Single : A 88 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.59) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 138:sc= 0.00276 USER MOD Single : A 103 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 1.557 -0.830 -12.499 1.00 0.00 N ATOM 114 CA CYS A 11 2.972 -0.704 -12.168 1.00 0.00 C ATOM 115 C CYS A 11 3.153 -0.170 -10.751 1.00 0.00 C ATOM 116 O CYS A 11 4.243 0.263 -10.375 1.00 0.00 O ATOM 117 CB CYS A 11 3.671 0.219 -13.168 1.00 0.00 C ATOM 118 SG CYS A 11 4.149 -0.592 -14.711 1.00 0.00 S ATOM 0 HA CYS A 11 3.423 -1.695 -12.224 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.010 1.054 -13.399 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.561 0.637 -12.699 1.00 0.00 H new ATOM 0 HG CYS A 11 4.730 0.269 -15.492 1.00 0.00 H new ATOM 124 N TRP A 12 2.079 -0.201 -9.971 1.00 0.00 N ATOM 125 CA TRP A 12 2.119 0.282 -8.595 1.00 0.00 C ATOM 126 C TRP A 12 2.302 -0.874 -7.618 1.00 0.00 C ATOM 127 O TRP A 12 2.326 -0.674 -6.404 1.00 0.00 O ATOM 128 CB TRP A 12 0.838 1.049 -8.265 1.00 0.00 C ATOM 129 CG TRP A 12 -0.388 0.456 -8.891 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.166 1.019 -9.862 1.00 0.00 C ATOM 131 CD2 TRP A 12 -0.976 -0.814 -8.589 1.00 0.00 C ATOM 132 NE1 TRP A 12 -2.203 0.175 -10.182 1.00 0.00 N ATOM 133 CE2 TRP A 12 -2.108 -0.956 -9.415 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.656 -1.845 -7.702 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.919 -2.087 -9.378 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.462 -2.967 -7.666 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.582 -3.081 -8.500 1.00 0.00 C ATOM 0 H TRP A 12 1.170 -0.555 -10.267 1.00 0.00 H new ATOM 0 HA TRP A 12 2.971 0.954 -8.496 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.708 1.076 -7.183 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.945 2.081 -8.599 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.992 1.985 -10.312 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.926 0.361 -10.877 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.206 -1.766 -7.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.783 -2.177 -10.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.225 -3.770 -6.983 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.192 -3.971 -8.449 1.00 0.00 H new ATOM 148 N ASN A 13 2.430 -2.083 -8.154 1.00 0.00 N ATOM 149 CA ASN A 13 2.610 -3.271 -7.328 1.00 0.00 C ATOM 150 C ASN A 13 4.088 -3.628 -7.204 1.00 0.00 C ATOM 151 O ASN A 13 4.568 -4.562 -7.847 1.00 0.00 O ATOM 152 CB ASN A 13 1.836 -4.451 -7.919 1.00 0.00 C ATOM 153 CG ASN A 13 1.514 -5.509 -6.882 1.00 0.00 C ATOM 154 OD1 ASN A 13 2.276 -5.723 -5.939 1.00 0.00 O ATOM 155 ND2 ASN A 13 0.379 -6.178 -7.052 1.00 0.00 N ATOM 0 H ASN A 13 2.412 -2.266 -9.157 1.00 0.00 H new ATOM 0 HA ASN A 13 2.222 -3.053 -6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.909 -4.088 -8.363 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.420 -4.900 -8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.109 -6.902 -6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.223 -5.968 -7.848 1.00 0.00 H new ATOM 162 N HIS A 14 4.804 -2.880 -6.371 1.00 0.00 N ATOM 163 CA HIS A 14 6.228 -3.118 -6.161 1.00 0.00 C ATOM 164 C HIS A 14 6.465 -4.507 -5.576 1.00 0.00 C ATOM 165 O HIS A 14 6.959 -5.403 -6.259 1.00 0.00 O ATOM 166 CB HIS A 14 6.813 -2.054 -5.233 1.00 0.00 C ATOM 167 CG HIS A 14 6.825 -0.680 -5.829 1.00 0.00 C ATOM 168 ND1 HIS A 14 7.980 0.051 -6.013 1.00 0.00 N ATOM 169 CD2 HIS A 14 5.814 0.096 -6.286 1.00 0.00 C ATOM 170 CE1 HIS A 14 7.679 1.217 -6.556 1.00 0.00 C ATOM 171 NE2 HIS A 14 6.371 1.269 -6.732 1.00 0.00 N ATOM 0 H HIS A 14 4.422 -2.104 -5.830 1.00 0.00 H new ATOM 0 HA HIS A 14 6.728 -3.060 -7.128 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.237 -2.035 -4.308 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.832 -2.335 -4.968 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.765 -0.160 -6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.383 1.995 -6.812 1.00 0.00 H new ATOM 0 HE2 HIS A 14 5.858 2.053 -7.134 1.00 0.00 H new ATOM 180 N GLY A 15 6.111 -4.677 -4.306 1.00 0.00 N ATOM 181 CA GLY A 15 6.294 -5.959 -3.650 1.00 0.00 C ATOM 182 C GLY A 15 7.757 -6.314 -3.470 1.00 0.00 C ATOM 183 O GLY A 15 8.593 -5.973 -4.306 1.00 0.00 O ATOM 0 H GLY A 15 5.701 -3.950 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.806 -5.938 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.804 -6.737 -4.236 1.00 0.00 H new ATOM 187 N ASN A 16 8.067 -6.999 -2.374 1.00 0.00 N ATOM 188 CA ASN A 16 9.440 -7.398 -2.085 1.00 0.00 C ATOM 189 C ASN A 16 10.340 -6.177 -1.928 1.00 0.00 C ATOM 190 O ASN A 16 11.380 -6.071 -2.580 1.00 0.00 O ATOM 191 CB ASN A 16 9.976 -8.301 -3.199 1.00 0.00 C ATOM 192 CG ASN A 16 11.437 -8.656 -3.003 1.00 0.00 C ATOM 193 OD1 ASN A 16 11.865 -8.979 -1.894 1.00 0.00 O ATOM 194 ND2 ASN A 16 12.209 -8.598 -4.081 1.00 0.00 N ATOM 0 H ASN A 16 7.387 -7.289 -1.672 1.00 0.00 H new ATOM 0 HA ASN A 16 9.441 -7.951 -1.146 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.385 -9.216 -3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.852 -7.801 -4.160 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.201 -8.826 -4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.811 -8.325 -4.979 1.00 0.00 H new ATOM 201 N ILE A 17 9.934 -5.257 -1.059 1.00 0.00 N ATOM 202 CA ILE A 17 10.705 -4.045 -0.815 1.00 0.00 C ATOM 203 C ILE A 17 10.925 -3.824 0.678 1.00 0.00 C ATOM 204 O ILE A 17 10.098 -4.213 1.503 1.00 0.00 O ATOM 205 CB ILE A 17 10.008 -2.806 -1.408 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.670 -2.562 -0.708 1.00 0.00 C ATOM 207 CG2 ILE A 17 9.804 -2.979 -2.906 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.050 -1.223 -1.038 1.00 0.00 C ATOM 0 H ILE A 17 9.076 -5.328 -0.513 1.00 0.00 H new ATOM 0 HA ILE A 17 11.669 -4.180 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 17 10.645 -1.937 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.974 -3.354 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.816 -2.630 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.310 -2.095 -3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.771 -3.109 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.184 -3.857 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.104 -1.119 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.726 -0.424 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.872 -1.159 -2.111 1.00 0.00 H new ATOM 220 N THR A 18 12.046 -3.195 1.019 1.00 0.00 N ATOM 221 CA THR A 18 12.375 -2.922 2.412 1.00 0.00 C ATOM 222 C THR A 18 11.689 -1.651 2.900 1.00 0.00 C ATOM 223 O THR A 18 11.476 -0.715 2.130 1.00 0.00 O ATOM 224 CB THR A 18 13.896 -2.780 2.612 1.00 0.00 C ATOM 225 OG1 THR A 18 14.184 -2.485 3.983 1.00 0.00 O ATOM 226 CG2 THR A 18 14.458 -1.681 1.723 1.00 0.00 C ATOM 0 H THR A 18 12.741 -2.865 0.349 1.00 0.00 H new ATOM 0 HA THR A 18 12.017 -3.771 2.994 1.00 0.00 H new ATOM 0 HB THR A 18 14.366 -3.724 2.337 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.153 -2.398 4.102 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.533 -1.599 1.881 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.263 -1.923 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.981 -0.733 1.971 1.00 0.00 H new ATOM 234 N ARG A 19 11.345 -1.625 4.183 1.00 0.00 N ATOM 235 CA ARG A 19 10.682 -0.469 4.774 1.00 0.00 C ATOM 236 C ARG A 19 11.287 0.831 4.250 1.00 0.00 C ATOM 237 O ARG A 19 10.612 1.620 3.590 1.00 0.00 O ATOM 238 CB ARG A 19 10.790 -0.516 6.299 1.00 0.00 C ATOM 239 CG ARG A 19 9.621 0.143 7.013 1.00 0.00 C ATOM 240 CD ARG A 19 9.726 -0.019 8.521 1.00 0.00 C ATOM 241 NE ARG A 19 9.448 -1.389 8.945 1.00 0.00 N ATOM 242 CZ ARG A 19 9.398 -1.768 10.217 1.00 0.00 C ATOM 243 NH1 ARG A 19 9.607 -0.886 11.185 1.00 0.00 N ATOM 244 NH2 ARG A 19 9.139 -3.033 10.524 1.00 0.00 N ATOM 0 H ARG A 19 11.515 -2.392 4.834 1.00 0.00 H new ATOM 0 HA ARG A 19 9.630 -0.501 4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.860 -1.556 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.714 -0.026 6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.590 1.203 6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.686 -0.295 6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.726 0.266 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.026 0.660 9.008 1.00 0.00 H new ATOM 0 HE ARG A 19 9.283 -2.093 8.225 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.807 0.087 10.954 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.568 -1.181 12.161 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.978 -3.715 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.101 -3.323 11.501 1.00 0.00 H new ATOM 258 N SER A 20 12.564 1.046 4.550 1.00 0.00 N ATOM 259 CA SER A 20 13.259 2.251 4.114 1.00 0.00 C ATOM 260 C SER A 20 12.875 2.612 2.682 1.00 0.00 C ATOM 261 O SER A 20 12.677 3.783 2.356 1.00 0.00 O ATOM 262 CB SER A 20 14.774 2.057 4.213 1.00 0.00 C ATOM 263 OG SER A 20 15.431 3.288 4.460 1.00 0.00 O ATOM 0 H SER A 20 13.138 0.401 5.093 1.00 0.00 H new ATOM 0 HA SER A 20 12.961 3.069 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.002 1.353 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.149 1.620 3.287 1.00 0.00 H new ATOM 0 HG SER A 20 16.397 3.137 4.521 1.00 0.00 H new ATOM 269 N LYS A 21 12.769 1.597 1.831 1.00 0.00 N ATOM 270 CA LYS A 21 12.407 1.804 0.434 1.00 0.00 C ATOM 271 C LYS A 21 10.941 2.206 0.306 1.00 0.00 C ATOM 272 O LYS A 21 10.627 3.299 -0.165 1.00 0.00 O ATOM 273 CB LYS A 21 12.671 0.533 -0.377 1.00 0.00 C ATOM 274 CG LYS A 21 12.366 0.682 -1.857 1.00 0.00 C ATOM 275 CD LYS A 21 13.341 1.630 -2.535 1.00 0.00 C ATOM 276 CE LYS A 21 13.263 1.520 -4.050 1.00 0.00 C ATOM 277 NZ LYS A 21 14.473 2.086 -4.710 1.00 0.00 N ATOM 0 H LYS A 21 12.929 0.622 2.085 1.00 0.00 H new ATOM 0 HA LYS A 21 13.023 2.613 0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.716 0.246 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.068 -0.279 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.412 -0.295 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.349 1.053 -1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.124 2.654 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.356 1.408 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.151 0.473 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.376 2.043 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.382 1.992 -5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.566 3.091 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.317 1.570 -4.389 1.00 0.00 H new ATOM 291 N ALA A 22 10.049 1.316 0.728 1.00 0.00 N ATOM 292 CA ALA A 22 8.617 1.580 0.664 1.00 0.00 C ATOM 293 C ALA A 22 8.313 3.040 0.983 1.00 0.00 C ATOM 294 O ALA A 22 7.651 3.729 0.208 1.00 0.00 O ATOM 295 CB ALA A 22 7.868 0.662 1.618 1.00 0.00 C ATOM 0 H ALA A 22 10.293 0.406 1.118 1.00 0.00 H new ATOM 0 HA ALA A 22 8.281 1.380 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.800 0.870 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.051 -0.377 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.216 0.834 2.637 1.00 0.00 H new ATOM 301 N GLU A 23 8.801 3.505 2.129 1.00 0.00 N ATOM 302 CA GLU A 23 8.579 4.883 2.550 1.00 0.00 C ATOM 303 C GLU A 23 9.356 5.854 1.665 1.00 0.00 C ATOM 304 O GLU A 23 8.786 6.792 1.108 1.00 0.00 O ATOM 305 CB GLU A 23 8.993 5.066 4.012 1.00 0.00 C ATOM 306 CG GLU A 23 8.222 4.182 4.978 1.00 0.00 C ATOM 307 CD GLU A 23 8.569 4.460 6.427 1.00 0.00 C ATOM 308 OE1 GLU A 23 7.935 5.351 7.030 1.00 0.00 O ATOM 309 OE2 GLU A 23 9.476 3.786 6.959 1.00 0.00 O ATOM 0 H GLU A 23 9.352 2.948 2.782 1.00 0.00 H new ATOM 0 HA GLU A 23 7.515 5.099 2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.058 4.853 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.849 6.109 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.153 4.333 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.430 3.136 4.753 1.00 0.00 H new ATOM 316 N GLU A 24 10.659 5.621 1.542 1.00 0.00 N ATOM 317 CA GLU A 24 11.513 6.476 0.727 1.00 0.00 C ATOM 318 C GLU A 24 10.807 6.876 -0.566 1.00 0.00 C ATOM 319 O GLU A 24 10.613 8.061 -0.840 1.00 0.00 O ATOM 320 CB GLU A 24 12.827 5.762 0.403 1.00 0.00 C ATOM 321 CG GLU A 24 13.685 6.496 -0.613 1.00 0.00 C ATOM 322 CD GLU A 24 14.574 7.546 0.024 1.00 0.00 C ATOM 323 OE1 GLU A 24 14.034 8.475 0.660 1.00 0.00 O ATOM 324 OE2 GLU A 24 15.811 7.438 -0.113 1.00 0.00 O ATOM 0 H GLU A 24 11.146 4.848 1.996 1.00 0.00 H new ATOM 0 HA GLU A 24 11.730 7.379 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.398 5.634 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.605 4.764 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.305 5.776 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.040 6.971 -1.352 1.00 0.00 H new ATOM 331 N LEU A 25 10.426 5.880 -1.358 1.00 0.00 N ATOM 332 CA LEU A 25 9.742 6.126 -2.622 1.00 0.00 C ATOM 333 C LEU A 25 8.657 7.185 -2.457 1.00 0.00 C ATOM 334 O LEU A 25 8.517 8.081 -3.290 1.00 0.00 O ATOM 335 CB LEU A 25 9.129 4.829 -3.154 1.00 0.00 C ATOM 336 CG LEU A 25 10.087 3.880 -3.874 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.487 2.485 -3.967 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.424 4.411 -5.260 1.00 0.00 C ATOM 0 H LEU A 25 10.579 4.894 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 25 10.476 6.494 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.679 4.294 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.321 5.087 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 25 11.009 3.819 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.183 1.823 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.298 2.103 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.549 2.528 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.107 3.722 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.510 4.503 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.897 5.389 -5.170 1.00 0.00 H new ATOM 350 N LEU A 26 7.892 7.077 -1.376 1.00 0.00 N ATOM 351 CA LEU A 26 6.820 8.027 -1.100 1.00 0.00 C ATOM 352 C LEU A 26 7.384 9.410 -0.790 1.00 0.00 C ATOM 353 O LEU A 26 7.202 10.352 -1.561 1.00 0.00 O ATOM 354 CB LEU A 26 5.967 7.537 0.072 1.00 0.00 C ATOM 355 CG LEU A 26 5.247 6.204 -0.133 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.791 5.632 1.200 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.063 6.376 -1.074 1.00 0.00 C ATOM 0 H LEU A 26 7.994 6.341 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 26 6.195 8.101 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.607 7.450 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.221 8.299 0.296 1.00 0.00 H new ATOM 0 HG LEU A 26 5.947 5.502 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.281 4.683 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.657 5.470 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.108 6.332 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.563 5.417 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.362 7.095 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.415 6.740 -2.039 1.00 0.00 H new ATOM 369 N SER A 27 8.071 9.523 0.343 1.00 0.00 N ATOM 370 CA SER A 27 8.660 10.791 0.755 1.00 0.00 C ATOM 371 C SER A 27 9.287 11.511 -0.434 1.00 0.00 C ATOM 372 O SER A 27 8.862 12.606 -0.805 1.00 0.00 O ATOM 373 CB SER A 27 9.715 10.558 1.839 1.00 0.00 C ATOM 374 OG SER A 27 10.104 11.780 2.443 1.00 0.00 O ATOM 0 H SER A 27 8.233 8.752 0.991 1.00 0.00 H new ATOM 0 HA SER A 27 7.866 11.418 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.318 9.884 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.587 10.070 1.403 1.00 0.00 H new ATOM 0 HG SER A 27 10.777 11.604 3.133 1.00 0.00 H new ATOM 380 N ARG A 28 10.300 10.889 -1.028 1.00 0.00 N ATOM 381 CA ARG A 28 10.987 11.471 -2.175 1.00 0.00 C ATOM 382 C ARG A 28 9.994 12.142 -3.120 1.00 0.00 C ATOM 383 O ARG A 28 10.243 13.238 -3.624 1.00 0.00 O ATOM 384 CB ARG A 28 11.774 10.395 -2.925 1.00 0.00 C ATOM 385 CG ARG A 28 12.991 9.891 -2.167 1.00 0.00 C ATOM 386 CD ARG A 28 13.818 8.935 -3.012 1.00 0.00 C ATOM 387 NE ARG A 28 14.517 9.625 -4.093 1.00 0.00 N ATOM 388 CZ ARG A 28 15.515 10.479 -3.895 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.929 10.747 -2.664 1.00 0.00 N ATOM 390 NH2 ARG A 28 16.102 11.068 -4.930 1.00 0.00 N ATOM 0 H ARG A 28 10.663 9.982 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 28 11.680 12.227 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.113 9.554 -3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.096 10.796 -3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.608 10.737 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.670 9.388 -1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.544 8.426 -2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.168 8.168 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 28 14.223 9.441 -5.052 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.481 10.297 -1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.696 11.403 -2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.787 10.865 -5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.868 11.724 -4.777 1.00 0.00 H new ATOM 404 N THR A 29 8.869 11.476 -3.358 1.00 0.00 N ATOM 405 CA THR A 29 7.840 12.006 -4.244 1.00 0.00 C ATOM 406 C THR A 29 7.305 13.338 -3.731 1.00 0.00 C ATOM 407 O THR A 29 7.427 14.365 -4.397 1.00 0.00 O ATOM 408 CB THR A 29 6.666 11.019 -4.395 1.00 0.00 C ATOM 409 OG1 THR A 29 7.164 9.702 -4.654 1.00 0.00 O ATOM 410 CG2 THR A 29 5.741 11.448 -5.524 1.00 0.00 C ATOM 0 H THR A 29 8.647 10.568 -2.949 1.00 0.00 H new ATOM 0 HA THR A 29 8.308 12.156 -5.217 1.00 0.00 H new ATOM 0 HB THR A 29 6.100 11.016 -3.464 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.311 9.235 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.920 10.737 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.341 12.439 -5.310 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.298 11.476 -6.460 1.00 0.00 H new ATOM 418 N GLY A 30 6.713 13.314 -2.540 1.00 0.00 N ATOM 419 CA GLY A 30 6.170 14.527 -1.957 1.00 0.00 C ATOM 420 C GLY A 30 4.756 14.812 -2.425 1.00 0.00 C ATOM 421 O GLY A 30 3.930 15.312 -1.661 1.00 0.00 O ATOM 0 H GLY A 30 6.600 12.476 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.179 14.440 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.812 15.369 -2.215 1.00 0.00 H new ATOM 425 N LYS A 31 4.477 14.495 -3.685 1.00 0.00 N ATOM 426 CA LYS A 31 3.154 14.720 -4.255 1.00 0.00 C ATOM 427 C LYS A 31 2.062 14.410 -3.236 1.00 0.00 C ATOM 428 O LYS A 31 2.207 13.508 -2.411 1.00 0.00 O ATOM 429 CB LYS A 31 2.960 13.856 -5.503 1.00 0.00 C ATOM 430 CG LYS A 31 3.952 14.159 -6.613 1.00 0.00 C ATOM 431 CD LYS A 31 3.628 13.382 -7.878 1.00 0.00 C ATOM 432 CE LYS A 31 4.068 14.137 -9.123 1.00 0.00 C ATOM 433 NZ LYS A 31 4.318 13.219 -10.269 1.00 0.00 N ATOM 0 H LYS A 31 5.150 14.081 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 31 3.080 15.771 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.048 12.806 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.948 14.001 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.943 15.227 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.959 13.910 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.122 12.411 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.556 13.193 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.301 14.861 -9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.975 14.700 -8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.616 13.772 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.067 12.544 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.446 12.700 -10.494 1.00 0.00 H new ATOM 447 N ASP A 32 0.969 15.163 -3.299 1.00 0.00 N ATOM 448 CA ASP A 32 -0.148 14.968 -2.382 1.00 0.00 C ATOM 449 C ASP A 32 -1.175 14.008 -2.975 1.00 0.00 C ATOM 450 O ASP A 32 -2.215 14.430 -3.480 1.00 0.00 O ATOM 451 CB ASP A 32 -0.811 16.308 -2.059 1.00 0.00 C ATOM 452 CG ASP A 32 -0.851 17.238 -3.255 1.00 0.00 C ATOM 453 OD1 ASP A 32 0.116 18.006 -3.443 1.00 0.00 O ATOM 454 OD2 ASP A 32 -1.849 17.197 -4.005 1.00 0.00 O ATOM 0 H ASP A 32 0.833 15.914 -3.976 1.00 0.00 H new ATOM 0 HA ASP A 32 0.241 14.533 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.827 16.131 -1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.270 16.791 -1.245 1.00 0.00 H new ATOM 459 N GLY A 33 -0.876 12.714 -2.911 1.00 0.00 N ATOM 460 CA GLY A 33 -1.782 11.715 -3.446 1.00 0.00 C ATOM 461 C GLY A 33 -1.052 10.514 -4.013 1.00 0.00 C ATOM 462 O GLY A 33 -1.457 9.958 -5.034 1.00 0.00 O ATOM 0 H GLY A 33 -0.022 12.340 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.460 11.386 -2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.395 12.166 -4.227 1.00 0.00 H new ATOM 466 N SER A 34 0.029 10.114 -3.351 1.00 0.00 N ATOM 467 CA SER A 34 0.821 8.974 -3.798 1.00 0.00 C ATOM 468 C SER A 34 0.436 7.711 -3.033 1.00 0.00 C ATOM 469 O SER A 34 -0.122 7.781 -1.938 1.00 0.00 O ATOM 470 CB SER A 34 2.313 9.260 -3.616 1.00 0.00 C ATOM 471 OG SER A 34 2.827 10.003 -4.708 1.00 0.00 O ATOM 0 H SER A 34 0.376 10.562 -2.503 1.00 0.00 H new ATOM 0 HA SER A 34 0.616 8.813 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.470 9.813 -2.690 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.858 8.321 -3.523 1.00 0.00 H new ATOM 0 HG SER A 34 3.152 9.388 -5.398 1.00 0.00 H new ATOM 477 N PHE A 35 0.739 6.557 -3.618 1.00 0.00 N ATOM 478 CA PHE A 35 0.424 5.278 -2.993 1.00 0.00 C ATOM 479 C PHE A 35 1.149 4.135 -3.699 1.00 0.00 C ATOM 480 O PHE A 35 1.373 4.180 -4.910 1.00 0.00 O ATOM 481 CB PHE A 35 -1.086 5.031 -3.018 1.00 0.00 C ATOM 482 CG PHE A 35 -1.600 4.594 -4.359 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.744 5.506 -5.392 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.940 3.270 -4.587 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.217 5.106 -6.628 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.412 2.864 -5.821 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.552 3.784 -6.842 1.00 0.00 C ATOM 0 H PHE A 35 1.202 6.481 -4.524 1.00 0.00 H new ATOM 0 HA PHE A 35 0.762 5.316 -1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.334 4.271 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.600 5.945 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.484 6.542 -5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.835 2.547 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.324 5.827 -7.425 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.671 1.829 -5.987 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.923 3.469 -7.806 1.00 0.00 H new ATOM 497 N LEU A 36 1.514 3.112 -2.934 1.00 0.00 N ATOM 498 CA LEU A 36 2.214 1.957 -3.485 1.00 0.00 C ATOM 499 C LEU A 36 1.780 0.673 -2.785 1.00 0.00 C ATOM 500 O LEU A 36 1.017 0.707 -1.819 1.00 0.00 O ATOM 501 CB LEU A 36 3.726 2.139 -3.348 1.00 0.00 C ATOM 502 CG LEU A 36 4.259 2.282 -1.922 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.211 0.946 -1.198 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.677 2.834 -1.935 1.00 0.00 C ATOM 0 H LEU A 36 1.337 3.059 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 36 1.958 1.878 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.218 1.286 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.018 3.024 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 36 3.622 2.985 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.594 1.067 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.181 0.591 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.823 0.220 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.040 2.929 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.326 2.156 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.682 3.813 -2.414 1.00 0.00 H new ATOM 516 N VAL A 37 2.272 -0.460 -3.278 1.00 0.00 N ATOM 517 CA VAL A 37 1.938 -1.755 -2.698 1.00 0.00 C ATOM 518 C VAL A 37 3.180 -2.624 -2.542 1.00 0.00 C ATOM 519 O VAL A 37 3.974 -2.763 -3.473 1.00 0.00 O ATOM 520 CB VAL A 37 0.904 -2.505 -3.559 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.516 -3.821 -2.902 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.321 -1.637 -3.798 1.00 0.00 C ATOM 0 H VAL A 37 2.903 -0.507 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 37 1.509 -1.561 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 37 1.356 -2.728 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.215 -4.337 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.402 -4.446 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.083 -3.624 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.041 -2.183 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.777 -1.380 -2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.025 -0.725 -4.316 1.00 0.00 H new ATOM 532 N ARG A 38 3.343 -3.207 -1.359 1.00 0.00 N ATOM 533 CA ARG A 38 4.490 -4.063 -1.081 1.00 0.00 C ATOM 534 C ARG A 38 4.038 -5.445 -0.617 1.00 0.00 C ATOM 535 O ARG A 38 2.860 -5.660 -0.332 1.00 0.00 O ATOM 536 CB ARG A 38 5.384 -3.424 -0.017 1.00 0.00 C ATOM 537 CG ARG A 38 4.732 -3.335 1.354 1.00 0.00 C ATOM 538 CD ARG A 38 5.653 -2.673 2.367 1.00 0.00 C ATOM 539 NE ARG A 38 5.478 -1.224 2.400 1.00 0.00 N ATOM 540 CZ ARG A 38 5.932 -0.451 3.380 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.586 -0.987 4.402 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.733 0.860 3.340 1.00 0.00 N ATOM 0 H ARG A 38 2.696 -3.102 -0.578 1.00 0.00 H new ATOM 0 HA ARG A 38 5.059 -4.176 -2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.305 -4.000 0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.663 -2.422 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.803 -2.769 1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.469 -4.335 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.458 -3.084 3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.689 -2.908 2.123 1.00 0.00 H new ATOM 0 HE ARG A 38 4.980 -0.781 1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.741 -1.995 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.934 -0.392 5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.231 1.276 2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.082 1.452 4.094 1.00 0.00 H new ATOM 556 N ALA A 39 4.982 -6.377 -0.544 1.00 0.00 N ATOM 557 CA ALA A 39 4.681 -7.737 -0.113 1.00 0.00 C ATOM 558 C ALA A 39 4.866 -7.890 1.393 1.00 0.00 C ATOM 559 O ALA A 39 5.992 -7.917 1.890 1.00 0.00 O ATOM 560 CB ALA A 39 5.557 -8.733 -0.858 1.00 0.00 C ATOM 0 H ALA A 39 5.962 -6.216 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 39 3.636 -7.942 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.321 -9.744 -0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.372 -8.650 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.606 -8.519 -0.653 1.00 0.00 H new ATOM 566 N SER A 40 3.754 -7.987 2.114 1.00 0.00 N ATOM 567 CA SER A 40 3.794 -8.133 3.565 1.00 0.00 C ATOM 568 C SER A 40 4.841 -9.163 3.979 1.00 0.00 C ATOM 569 O SER A 40 5.366 -9.898 3.144 1.00 0.00 O ATOM 570 CB SER A 40 2.419 -8.544 4.095 1.00 0.00 C ATOM 571 OG SER A 40 2.279 -9.954 4.110 1.00 0.00 O ATOM 0 H SER A 40 2.814 -7.967 1.718 1.00 0.00 H new ATOM 0 HA SER A 40 4.068 -7.170 3.995 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.282 -8.151 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.640 -8.105 3.472 1.00 0.00 H new ATOM 0 HG SER A 40 1.958 -10.242 4.990 1.00 0.00 H new ATOM 657 N ALA A 46 -0.182 -12.308 1.353 1.00 0.00 N ATOM 658 CA ALA A 46 -0.784 -11.035 1.732 1.00 0.00 C ATOM 659 C ALA A 46 -0.064 -9.868 1.064 1.00 0.00 C ATOM 660 O ALA A 46 0.893 -10.063 0.315 1.00 0.00 O ATOM 661 CB ALA A 46 -0.766 -10.872 3.244 1.00 0.00 C ATOM 0 HA ALA A 46 -1.819 -11.034 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.218 -9.917 3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.330 -11.683 3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.264 -10.898 3.601 1.00 0.00 H new ATOM 667 N TYR A 47 -0.532 -8.656 1.339 1.00 0.00 N ATOM 668 CA TYR A 47 0.065 -7.457 0.762 1.00 0.00 C ATOM 669 C TYR A 47 -0.123 -6.257 1.685 1.00 0.00 C ATOM 670 O TYR A 47 -0.847 -6.330 2.677 1.00 0.00 O ATOM 671 CB TYR A 47 -0.551 -7.164 -0.607 1.00 0.00 C ATOM 672 CG TYR A 47 -0.077 -8.097 -1.697 1.00 0.00 C ATOM 673 CD1 TYR A 47 -0.686 -9.330 -1.897 1.00 0.00 C ATOM 674 CD2 TYR A 47 0.982 -7.748 -2.527 1.00 0.00 C ATOM 675 CE1 TYR A 47 -0.255 -10.187 -2.892 1.00 0.00 C ATOM 676 CE2 TYR A 47 1.418 -8.597 -3.525 1.00 0.00 C ATOM 677 CZ TYR A 47 0.796 -9.816 -3.703 1.00 0.00 C ATOM 678 OH TYR A 47 1.229 -10.665 -4.695 1.00 0.00 O ATOM 0 H TYR A 47 -1.323 -8.477 1.958 1.00 0.00 H new ATOM 0 HA TYR A 47 1.134 -7.635 0.641 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.636 -7.231 -0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.315 -6.138 -0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.510 -9.624 -1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.473 -6.796 -2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.739 -11.142 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.241 -8.309 -4.162 1.00 0.00 H new ATOM 0 HH TYR A 47 1.977 -10.252 -5.176 1.00 0.00 H new ATOM 688 N ALA A 48 0.535 -5.152 1.349 1.00 0.00 N ATOM 689 CA ALA A 48 0.440 -3.934 2.145 1.00 0.00 C ATOM 690 C ALA A 48 0.297 -2.706 1.253 1.00 0.00 C ATOM 691 O ALA A 48 1.045 -2.535 0.290 1.00 0.00 O ATOM 692 CB ALA A 48 1.658 -3.796 3.046 1.00 0.00 C ATOM 0 H ALA A 48 1.140 -5.075 0.531 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.452 -4.004 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.574 -2.882 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.715 -4.655 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.560 -3.752 2.435 1.00 0.00 H new ATOM 698 N LEU A 49 -0.669 -1.853 1.578 1.00 0.00 N ATOM 699 CA LEU A 49 -0.910 -0.640 0.806 1.00 0.00 C ATOM 700 C LEU A 49 -0.566 0.602 1.621 1.00 0.00 C ATOM 701 O LEU A 49 -1.120 0.823 2.699 1.00 0.00 O ATOM 702 CB LEU A 49 -2.371 -0.580 0.356 1.00 0.00 C ATOM 703 CG LEU A 49 -2.808 0.711 -0.338 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.275 0.758 -1.761 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.324 0.834 -0.329 1.00 0.00 C ATOM 0 H LEU A 49 -1.298 -1.980 2.371 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.266 -0.665 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.556 -1.413 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.006 -0.732 1.229 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.392 1.556 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.596 1.683 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.186 0.717 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.661 -0.093 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.617 1.758 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.761 -0.015 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.682 0.847 0.700 1.00 0.00 H new ATOM 717 N CYS A 50 0.349 1.411 1.099 1.00 0.00 N ATOM 718 CA CYS A 50 0.767 2.633 1.778 1.00 0.00 C ATOM 719 C CYS A 50 0.337 3.867 0.991 1.00 0.00 C ATOM 720 O CYS A 50 0.593 3.971 -0.209 1.00 0.00 O ATOM 721 CB CYS A 50 2.283 2.640 1.973 1.00 0.00 C ATOM 722 SG CYS A 50 2.853 1.642 3.369 1.00 0.00 S ATOM 0 H CYS A 50 0.816 1.243 0.208 1.00 0.00 H new ATOM 0 HA CYS A 50 0.283 2.660 2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.757 2.275 1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.615 3.668 2.116 1.00 0.00 H new ATOM 0 HG CYS A 50 2.276 2.052 4.460 1.00 0.00 H new ATOM 728 N VAL A 51 -0.320 4.799 1.674 1.00 0.00 N ATOM 729 CA VAL A 51 -0.786 6.026 1.039 1.00 0.00 C ATOM 730 C VAL A 51 -0.110 7.250 1.646 1.00 0.00 C ATOM 731 O VAL A 51 -0.136 7.449 2.861 1.00 0.00 O ATOM 732 CB VAL A 51 -2.313 6.179 1.168 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.732 7.614 0.883 1.00 0.00 C ATOM 734 CG2 VAL A 51 -3.026 5.212 0.235 1.00 0.00 C ATOM 0 H VAL A 51 -0.542 4.728 2.667 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.523 5.956 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.599 5.938 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.814 7.703 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.248 8.283 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.434 7.886 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.104 5.334 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.735 5.419 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.750 4.189 0.491 1.00 0.00 H new ATOM 744 N LEU A 52 0.495 8.069 0.792 1.00 0.00 N ATOM 745 CA LEU A 52 1.178 9.276 1.244 1.00 0.00 C ATOM 746 C LEU A 52 0.213 10.456 1.310 1.00 0.00 C ATOM 747 O LEU A 52 -0.379 10.844 0.303 1.00 0.00 O ATOM 748 CB LEU A 52 2.342 9.607 0.308 1.00 0.00 C ATOM 749 CG LEU A 52 3.145 10.862 0.653 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.122 10.577 1.783 1.00 0.00 C ATOM 751 CD2 LEU A 52 3.881 11.378 -0.574 1.00 0.00 C ATOM 0 H LEU A 52 0.526 7.919 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 52 1.566 9.091 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.024 8.756 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.949 9.718 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 52 2.451 11.634 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.684 11.482 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.572 10.255 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.811 9.789 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.447 12.271 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.564 10.610 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.160 11.623 -1.354 1.00 0.00 H new ATOM 763 N TYR A 53 0.061 11.022 2.502 1.00 0.00 N ATOM 764 CA TYR A 53 -0.832 12.158 2.700 1.00 0.00 C ATOM 765 C TYR A 53 -0.343 13.042 3.843 1.00 0.00 C ATOM 766 O TYR A 53 -0.137 12.572 4.962 1.00 0.00 O ATOM 767 CB TYR A 53 -2.253 11.671 2.989 1.00 0.00 C ATOM 768 CG TYR A 53 -3.192 12.772 3.428 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.711 13.677 2.510 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.561 12.907 4.760 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.569 14.685 2.906 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.419 13.910 5.166 1.00 0.00 C ATOM 773 CZ TYR A 53 -4.920 14.797 4.235 1.00 0.00 C ATOM 774 OH TYR A 53 -5.775 15.799 4.635 1.00 0.00 O ATOM 0 H TYR A 53 0.544 10.713 3.345 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.836 12.749 1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.655 11.197 2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.215 10.906 3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.439 13.591 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.170 12.215 5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.962 15.381 2.180 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.696 14.000 6.206 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.921 15.738 5.602 1.00 0.00 H new ATOM 784 N ARG A 54 -0.161 14.326 3.552 1.00 0.00 N ATOM 785 CA ARG A 54 0.304 15.278 4.554 1.00 0.00 C ATOM 786 C ARG A 54 1.623 14.818 5.170 1.00 0.00 C ATOM 787 O ARG A 54 1.772 14.790 6.391 1.00 0.00 O ATOM 788 CB ARG A 54 -0.749 15.453 5.649 1.00 0.00 C ATOM 789 CG ARG A 54 -2.124 15.825 5.119 1.00 0.00 C ATOM 790 CD ARG A 54 -2.225 17.315 4.830 1.00 0.00 C ATOM 791 NE ARG A 54 -1.446 17.699 3.656 1.00 0.00 N ATOM 792 CZ ARG A 54 -1.882 17.566 2.408 1.00 0.00 C ATOM 793 NH1 ARG A 54 -3.086 17.061 2.174 1.00 0.00 N ATOM 794 NH2 ARG A 54 -1.115 17.938 1.392 1.00 0.00 N ATOM 0 H ARG A 54 -0.328 14.731 2.631 1.00 0.00 H new ATOM 0 HA ARG A 54 0.468 16.236 4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.827 14.526 6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.415 16.225 6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.329 15.262 4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.885 15.542 5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.270 17.584 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.876 17.877 5.696 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.516 18.091 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.679 16.774 2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.419 16.960 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.189 18.327 1.568 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.451 17.835 0.435 1.00 0.00 H new ATOM 808 N ASN A 55 2.575 14.459 4.316 1.00 0.00 N ATOM 809 CA ASN A 55 3.881 14.000 4.776 1.00 0.00 C ATOM 810 C ASN A 55 3.735 12.837 5.753 1.00 0.00 C ATOM 811 O ASN A 55 4.531 12.690 6.682 1.00 0.00 O ATOM 812 CB ASN A 55 4.643 15.147 5.441 1.00 0.00 C ATOM 813 CG ASN A 55 5.172 16.151 4.434 1.00 0.00 C ATOM 814 OD1 ASN A 55 5.436 15.809 3.281 1.00 0.00 O ATOM 815 ND2 ASN A 55 5.328 17.397 4.866 1.00 0.00 N ATOM 0 H ASN A 55 2.467 14.477 3.302 1.00 0.00 H new ATOM 0 HA ASN A 55 4.443 13.655 3.909 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.986 15.656 6.146 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.475 14.741 6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.680 18.116 4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.096 17.635 5.830 1.00 0.00 H new ATOM 822 N CYS A 56 2.714 12.015 5.538 1.00 0.00 N ATOM 823 CA CYS A 56 2.463 10.866 6.401 1.00 0.00 C ATOM 824 C CYS A 56 2.120 9.631 5.574 1.00 0.00 C ATOM 825 O CYS A 56 1.489 9.730 4.522 1.00 0.00 O ATOM 826 CB CYS A 56 1.327 11.172 7.377 1.00 0.00 C ATOM 827 SG CYS A 56 1.229 10.032 8.777 1.00 0.00 S ATOM 0 H CYS A 56 2.047 12.123 4.774 1.00 0.00 H new ATOM 0 HA CYS A 56 3.372 10.662 6.967 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.452 12.186 7.756 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.381 11.148 6.836 1.00 0.00 H new ATOM 0 HG CYS A 56 0.239 10.374 9.547 1.00 0.00 H new ATOM 833 N VAL A 57 2.543 8.466 6.056 1.00 0.00 N ATOM 834 CA VAL A 57 2.281 7.211 5.362 1.00 0.00 C ATOM 835 C VAL A 57 1.235 6.383 6.099 1.00 0.00 C ATOM 836 O VAL A 57 1.341 6.162 7.306 1.00 0.00 O ATOM 837 CB VAL A 57 3.566 6.376 5.208 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.239 4.982 4.696 1.00 0.00 C ATOM 839 CG2 VAL A 57 4.548 7.077 4.280 1.00 0.00 C ATOM 0 H VAL A 57 3.069 8.366 6.924 1.00 0.00 H new ATOM 0 HA VAL A 57 1.904 7.469 4.373 1.00 0.00 H new ATOM 0 HB VAL A 57 4.034 6.277 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.159 4.407 4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.575 4.482 5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.748 5.057 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.450 6.473 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.091 7.208 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.807 8.052 4.693 1.00 0.00 H new ATOM 849 N TYR A 58 0.226 5.926 5.366 1.00 0.00 N ATOM 850 CA TYR A 58 -0.841 5.123 5.951 1.00 0.00 C ATOM 851 C TYR A 58 -0.779 3.684 5.447 1.00 0.00 C ATOM 852 O TYR A 58 -1.258 3.374 4.356 1.00 0.00 O ATOM 853 CB TYR A 58 -2.205 5.732 5.622 1.00 0.00 C ATOM 854 CG TYR A 58 -2.421 7.099 6.232 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.657 8.188 5.831 1.00 0.00 C ATOM 856 CD2 TYR A 58 -3.388 7.301 7.208 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.850 9.439 6.386 1.00 0.00 C ATOM 858 CE2 TYR A 58 -3.590 8.548 7.767 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.818 9.613 7.353 1.00 0.00 C ATOM 860 OH TYR A 58 -3.014 10.857 7.908 1.00 0.00 O ATOM 0 H TYR A 58 0.125 6.098 4.366 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.705 5.116 7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.309 5.806 4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.988 5.059 5.972 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.900 8.055 5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.993 6.468 7.536 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.247 10.275 6.065 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.348 8.688 8.524 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.733 10.809 8.572 1.00 0.00 H new ATOM 870 N THR A 59 -0.186 2.808 6.251 1.00 0.00 N ATOM 871 CA THR A 59 -0.059 1.402 5.889 1.00 0.00 C ATOM 872 C THR A 59 -1.371 0.657 6.109 1.00 0.00 C ATOM 873 O THR A 59 -2.026 0.824 7.138 1.00 0.00 O ATOM 874 CB THR A 59 1.053 0.710 6.700 1.00 0.00 C ATOM 875 OG1 THR A 59 2.103 1.641 6.983 1.00 0.00 O ATOM 876 CG2 THR A 59 1.615 -0.482 5.941 1.00 0.00 C ATOM 0 H THR A 59 0.214 3.048 7.158 1.00 0.00 H new ATOM 0 HA THR A 59 0.201 1.371 4.831 1.00 0.00 H new ATOM 0 HB THR A 59 0.622 0.353 7.636 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.806 1.194 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.398 -0.954 6.534 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.819 -1.202 5.753 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.031 -0.145 4.992 1.00 0.00 H new ATOM 884 N TYR A 60 -1.749 -0.165 5.137 1.00 0.00 N ATOM 885 CA TYR A 60 -2.985 -0.935 5.224 1.00 0.00 C ATOM 886 C TYR A 60 -2.733 -2.406 4.908 1.00 0.00 C ATOM 887 O TYR A 60 -2.204 -2.744 3.849 1.00 0.00 O ATOM 888 CB TYR A 60 -4.032 -0.367 4.264 1.00 0.00 C ATOM 889 CG TYR A 60 -4.611 0.955 4.713 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.279 1.068 5.925 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.489 2.093 3.924 1.00 0.00 C ATOM 892 CE1 TYR A 60 -5.810 2.274 6.339 1.00 0.00 C ATOM 893 CE2 TYR A 60 -5.015 3.304 4.330 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.676 3.389 5.538 1.00 0.00 C ATOM 895 OH TYR A 60 -6.202 4.593 5.947 1.00 0.00 O ATOM 0 H TYR A 60 -1.218 -0.316 4.279 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.360 -0.861 6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.580 -0.241 3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.841 -1.089 4.153 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.385 0.197 6.555 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.974 2.029 2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.327 2.344 7.285 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.909 4.179 3.706 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.020 5.277 5.269 1.00 0.00 H new ATOM 905 N ARG A 61 -3.118 -3.277 5.835 1.00 0.00 N ATOM 906 CA ARG A 61 -2.935 -4.713 5.658 1.00 0.00 C ATOM 907 C ARG A 61 -3.987 -5.282 4.711 1.00 0.00 C ATOM 908 O ARG A 61 -5.138 -4.843 4.709 1.00 0.00 O ATOM 909 CB ARG A 61 -3.007 -5.428 7.008 1.00 0.00 C ATOM 910 CG ARG A 61 -4.421 -5.562 7.551 1.00 0.00 C ATOM 911 CD ARG A 61 -4.451 -6.387 8.828 1.00 0.00 C ATOM 912 NE ARG A 61 -5.581 -6.031 9.683 1.00 0.00 N ATOM 913 CZ ARG A 61 -5.657 -4.894 10.364 1.00 0.00 C ATOM 914 NH1 ARG A 61 -4.675 -4.006 10.291 1.00 0.00 N ATOM 915 NH2 ARG A 61 -6.718 -4.642 11.121 1.00 0.00 N ATOM 0 H ARG A 61 -3.559 -3.014 6.716 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.950 -4.878 5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.570 -6.421 6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.399 -4.884 7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.832 -4.572 7.746 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.058 -6.029 6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.508 -7.446 8.574 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.521 -6.240 9.377 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.354 -6.692 9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.858 -4.196 9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.737 -3.133 10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.476 -5.322 11.180 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.775 -3.768 11.644 1.00 0.00 H new ATOM 929 N ILE A 62 -3.584 -6.260 3.907 1.00 0.00 N ATOM 930 CA ILE A 62 -4.492 -6.889 2.956 1.00 0.00 C ATOM 931 C ILE A 62 -4.385 -8.409 3.016 1.00 0.00 C ATOM 932 O ILE A 62 -3.448 -8.998 2.475 1.00 0.00 O ATOM 933 CB ILE A 62 -4.211 -6.422 1.515 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.219 -4.894 1.441 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.238 -7.010 0.558 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.304 -4.337 0.373 1.00 0.00 C ATOM 0 H ILE A 62 -2.635 -6.634 3.895 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.501 -6.587 3.237 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.223 -6.776 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.237 -4.553 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.923 -4.490 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.026 -6.671 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.188 -8.098 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.236 -6.682 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.360 -3.248 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.279 -4.648 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.613 -4.712 -0.603 1.00 0.00 H new ATOM 948 N LEU A 63 -5.350 -9.040 3.675 1.00 0.00 N ATOM 949 CA LEU A 63 -5.366 -10.493 3.805 1.00 0.00 C ATOM 950 C LEU A 63 -6.462 -11.105 2.939 1.00 0.00 C ATOM 951 O LEU A 63 -7.551 -10.551 2.790 1.00 0.00 O ATOM 952 CB LEU A 63 -5.572 -10.892 5.267 1.00 0.00 C ATOM 953 CG LEU A 63 -4.424 -10.562 6.222 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.234 -11.471 5.959 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.022 -9.101 6.087 1.00 0.00 C ATOM 0 H LEU A 63 -6.132 -8.568 4.128 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.404 -10.874 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.474 -10.402 5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.754 -11.966 5.307 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.765 -10.731 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.427 -11.222 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.530 -12.510 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.891 -11.334 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.204 -8.884 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.699 -8.906 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.875 -8.465 6.326 1.00 0.00 H new ATOM 967 N PRO A 64 -6.170 -12.277 2.355 1.00 0.00 N ATOM 968 CA PRO A 64 -7.119 -12.991 1.496 1.00 0.00 C ATOM 969 C PRO A 64 -8.294 -13.564 2.281 1.00 0.00 C ATOM 970 O PRO A 64 -8.118 -14.111 3.369 1.00 0.00 O ATOM 971 CB PRO A 64 -6.275 -14.119 0.897 1.00 0.00 C ATOM 972 CG PRO A 64 -5.182 -14.340 1.885 1.00 0.00 C ATOM 973 CD PRO A 64 -4.891 -12.994 2.489 1.00 0.00 C ATOM 0 HA PRO A 64 -7.569 -12.334 0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.867 -15.023 0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.876 -13.840 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.486 -15.054 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.296 -14.750 1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.585 -13.079 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.086 -12.482 1.961 1.00 0.00 H new ATOM 981 N ASN A 65 -9.492 -13.434 1.722 1.00 0.00 N ATOM 982 CA ASN A 65 -10.697 -13.939 2.370 1.00 0.00 C ATOM 983 C ASN A 65 -10.850 -15.440 2.141 1.00 0.00 C ATOM 984 O ASN A 65 -10.020 -16.064 1.482 1.00 0.00 O ATOM 985 CB ASN A 65 -11.931 -13.203 1.844 1.00 0.00 C ATOM 986 CG ASN A 65 -12.540 -13.887 0.635 1.00 0.00 C ATOM 987 OD1 ASN A 65 -11.840 -14.533 -0.145 1.00 0.00 O ATOM 988 ND2 ASN A 65 -13.851 -13.747 0.475 1.00 0.00 N ATOM 0 H ASN A 65 -9.655 -12.983 0.822 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.605 -13.761 3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.677 -13.138 2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.657 -12.182 1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.317 -14.184 -0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.391 -13.202 1.147 1.00 0.00 H new ATOM 995 N GLU A 66 -11.917 -16.011 2.691 1.00 0.00 N ATOM 996 CA GLU A 66 -12.178 -17.438 2.547 1.00 0.00 C ATOM 997 C GLU A 66 -12.103 -17.860 1.082 1.00 0.00 C ATOM 998 O GLU A 66 -11.591 -18.932 0.759 1.00 0.00 O ATOM 999 CB GLU A 66 -13.553 -17.788 3.119 1.00 0.00 C ATOM 1000 CG GLU A 66 -14.687 -16.974 2.520 1.00 0.00 C ATOM 1001 CD GLU A 66 -16.042 -17.359 3.082 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -16.220 -17.268 4.315 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -16.924 -17.751 2.290 1.00 0.00 O ATOM 0 H GLU A 66 -12.614 -15.508 3.240 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.412 -17.979 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.749 -18.847 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.538 -17.635 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.508 -15.915 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.695 -17.109 1.438 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.616 -17.008 0.201 1.00 0.00 N ATOM 1011 CA ASP A 67 -12.607 -17.291 -1.230 1.00 0.00 C ATOM 1012 C ASP A 67 -11.384 -16.672 -1.899 1.00 0.00 C ATOM 1013 O ASP A 67 -11.439 -16.261 -3.058 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.884 -16.762 -1.884 1.00 0.00 C ATOM 1015 CG ASP A 67 -15.127 -17.476 -1.390 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -15.039 -18.688 -1.102 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -16.187 -16.823 -1.291 1.00 0.00 O ATOM 0 H ASP A 67 -13.043 -16.116 0.452 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.562 -18.372 -1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.977 -15.695 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.809 -16.876 -2.965 1.00 0.00 H new ATOM 1022 N ASP A 68 -10.281 -16.607 -1.160 1.00 0.00 N ATOM 1023 CA ASP A 68 -9.044 -16.038 -1.681 1.00 0.00 C ATOM 1024 C ASP A 68 -9.309 -14.705 -2.376 1.00 0.00 C ATOM 1025 O ASP A 68 -8.939 -14.512 -3.534 1.00 0.00 O ATOM 1026 CB ASP A 68 -8.380 -17.011 -2.656 1.00 0.00 C ATOM 1027 CG ASP A 68 -7.818 -18.235 -1.959 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -7.499 -18.138 -0.755 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -7.698 -19.289 -2.616 1.00 0.00 O ATOM 0 H ASP A 68 -10.219 -16.942 -0.198 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.372 -15.863 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.108 -17.325 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.578 -16.498 -3.187 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.954 -13.789 -1.661 1.00 0.00 N ATOM 1035 CA LYS A 69 -10.269 -12.475 -2.207 1.00 0.00 C ATOM 1036 C LYS A 69 -9.475 -11.385 -1.495 1.00 0.00 C ATOM 1037 O LYS A 69 -9.409 -11.353 -0.266 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.768 -12.193 -2.080 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.638 -13.166 -2.858 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.869 -12.691 -4.283 1.00 0.00 C ATOM 1041 CE LYS A 69 -13.431 -13.802 -5.156 1.00 0.00 C ATOM 1042 NZ LYS A 69 -14.819 -14.169 -4.760 1.00 0.00 N ATOM 0 H LYS A 69 -10.269 -13.933 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.992 -12.472 -3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.048 -12.230 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.969 -11.180 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.164 -14.147 -2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.597 -13.283 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.558 -11.846 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.930 -12.334 -4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.423 -13.484 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.789 -14.680 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.167 -14.929 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.823 -14.496 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.437 -13.338 -4.852 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.874 -10.492 -2.274 1.00 0.00 N ATOM 1057 CA PHE A 70 -8.084 -9.399 -1.717 1.00 0.00 C ATOM 1058 C PHE A 70 -8.988 -8.317 -1.134 1.00 0.00 C ATOM 1059 O PHE A 70 -9.722 -7.646 -1.860 1.00 0.00 O ATOM 1060 CB PHE A 70 -7.178 -8.797 -2.793 1.00 0.00 C ATOM 1061 CG PHE A 70 -6.117 -9.742 -3.281 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -6.381 -10.630 -4.310 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -4.855 -9.742 -2.709 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -5.407 -11.501 -4.761 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -3.876 -10.609 -3.156 1.00 0.00 C ATOM 1066 CZ PHE A 70 -4.153 -11.491 -4.183 1.00 0.00 C ATOM 0 H PHE A 70 -8.919 -10.503 -3.293 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.466 -9.802 -0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.790 -8.483 -3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.701 -7.901 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.360 -10.642 -4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.634 -9.056 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.627 -12.189 -5.564 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.896 -10.597 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.390 -12.171 -4.533 1.00 0.00 H new ATOM 1076 N THR A 71 -8.930 -8.154 0.184 1.00 0.00 N ATOM 1077 CA THR A 71 -9.743 -7.155 0.867 1.00 0.00 C ATOM 1078 C THR A 71 -8.954 -6.469 1.977 1.00 0.00 C ATOM 1079 O THR A 71 -8.392 -7.128 2.851 1.00 0.00 O ATOM 1080 CB THR A 71 -11.014 -7.783 1.469 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.529 -6.945 2.510 1.00 0.00 O ATOM 1082 CG2 THR A 71 -10.723 -9.169 2.025 1.00 0.00 C ATOM 0 H THR A 71 -8.328 -8.701 0.800 1.00 0.00 H new ATOM 0 HA THR A 71 -10.030 -6.416 0.119 1.00 0.00 H new ATOM 0 HB THR A 71 -11.756 -7.876 0.676 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.338 -7.351 2.886 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.636 -9.592 2.445 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.359 -9.813 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.965 -9.096 2.805 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.917 -5.141 1.936 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.199 -4.365 2.939 1.00 0.00 C ATOM 1092 C VAL A 72 -8.962 -4.331 4.258 1.00 0.00 C ATOM 1093 O VAL A 72 -10.139 -3.973 4.296 1.00 0.00 O ATOM 1094 CB VAL A 72 -7.954 -2.921 2.463 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.050 -2.182 3.438 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.360 -2.915 1.062 1.00 0.00 C ATOM 0 H VAL A 72 -9.376 -4.580 1.218 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.238 -4.857 3.091 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.912 -2.401 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.889 -1.164 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.520 -2.155 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.092 -2.698 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.194 -1.886 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.411 -3.452 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.049 -3.403 0.373 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.284 -4.706 5.338 1.00 0.00 N ATOM 1107 CA GLN A 73 -8.899 -4.719 6.660 1.00 0.00 C ATOM 1108 C GLN A 73 -8.880 -3.326 7.282 1.00 0.00 C ATOM 1109 O GLN A 73 -8.602 -3.171 8.471 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.175 -5.709 7.573 1.00 0.00 C ATOM 1111 CG GLN A 73 -7.835 -7.026 6.895 1.00 0.00 C ATOM 1112 CD GLN A 73 -8.938 -8.056 7.034 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -9.114 -8.655 8.095 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -9.690 -8.267 5.959 1.00 0.00 N ATOM 0 H GLN A 73 -7.309 -5.005 5.323 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.937 -5.033 6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.256 -5.250 7.937 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.798 -5.909 8.445 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.642 -6.846 5.837 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.915 -7.424 7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.509 -7.748 5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.449 -8.948 5.993 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.178 -2.317 6.471 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.197 -0.938 6.943 1.00 0.00 C ATOM 1125 C ALA A 74 -9.851 -0.836 8.317 1.00 0.00 C ATOM 1126 O ALA A 74 -9.216 -0.426 9.288 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.922 -0.048 5.944 1.00 0.00 C ATOM 0 H ALA A 74 -9.410 -2.428 5.484 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.166 -0.598 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.929 0.979 6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.410 -0.088 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.948 -0.397 5.823 1.00 0.00 H new ATOM 1210 N ARG A 81 -15.644 -4.920 0.932 1.00 0.00 N ATOM 1211 CA ARG A 81 -15.537 -5.128 -0.507 1.00 0.00 C ATOM 1212 C ARG A 81 -14.477 -6.178 -0.827 1.00 0.00 C ATOM 1213 O ARG A 81 -13.384 -6.165 -0.259 1.00 0.00 O ATOM 1214 CB ARG A 81 -15.195 -3.812 -1.209 1.00 0.00 C ATOM 1215 CG ARG A 81 -16.404 -2.929 -1.470 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.123 -3.333 -2.748 1.00 0.00 C ATOM 1217 NE ARG A 81 -18.061 -4.430 -2.524 1.00 0.00 N ATOM 1218 CZ ARG A 81 -19.294 -4.260 -2.061 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -19.736 -3.044 -1.773 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -20.088 -5.308 -1.884 1.00 0.00 N ATOM 0 HA ARG A 81 -16.500 -5.487 -0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.478 -3.261 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.705 -4.033 -2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.093 -2.995 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.087 -1.889 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.660 -2.473 -3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.390 -3.630 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.752 -5.379 -2.735 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.129 -2.236 -1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.684 -2.917 -1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.752 -6.246 -2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.035 -5.176 -1.528 1.00 0.00 H new ATOM 1234 N PHE A 82 -14.807 -7.086 -1.739 1.00 0.00 N ATOM 1235 CA PHE A 82 -13.885 -8.144 -2.134 1.00 0.00 C ATOM 1236 C PHE A 82 -13.513 -8.020 -3.608 1.00 0.00 C ATOM 1237 O PHE A 82 -14.319 -7.580 -4.428 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.506 -9.517 -1.866 1.00 0.00 C ATOM 1239 CG PHE A 82 -14.999 -9.688 -0.458 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -14.104 -9.805 0.594 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -16.357 -9.732 -0.186 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -14.555 -9.962 1.891 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -16.813 -9.889 1.109 1.00 0.00 C ATOM 1244 CZ PHE A 82 -15.911 -10.005 2.149 1.00 0.00 C ATOM 0 H PHE A 82 -15.707 -7.110 -2.219 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.977 -8.041 -1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.337 -9.672 -2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.767 -10.289 -2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -13.042 -9.773 0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.067 -9.643 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -13.847 -10.051 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.874 -9.921 1.308 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.266 -10.129 3.162 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.287 -8.411 -3.938 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.806 -8.342 -5.313 1.00 0.00 C ATOM 1256 C PHE A 83 -10.828 -9.476 -5.605 1.00 0.00 C ATOM 1257 O PHE A 83 -9.757 -9.559 -5.002 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.133 -6.993 -5.574 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.949 -5.818 -5.118 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -11.876 -5.373 -3.807 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -12.789 -5.157 -5.999 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.626 -4.292 -3.384 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.541 -4.075 -5.582 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.460 -3.642 -4.273 1.00 0.00 C ATOM 0 H PHE A 83 -11.608 -8.779 -3.272 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.664 -8.446 -5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.168 -6.973 -5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -10.935 -6.895 -6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.225 -5.877 -3.108 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.857 -5.491 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.560 -3.956 -2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.192 -3.568 -6.279 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.047 -2.797 -3.945 1.00 0.00 H new ATOM 1274 N THR A 84 -11.204 -10.350 -6.534 1.00 0.00 N ATOM 1275 CA THR A 84 -10.362 -11.480 -6.905 1.00 0.00 C ATOM 1276 C THR A 84 -8.991 -11.013 -7.379 1.00 0.00 C ATOM 1277 O THR A 84 -7.987 -11.697 -7.181 1.00 0.00 O ATOM 1278 CB THR A 84 -11.016 -12.327 -8.014 1.00 0.00 C ATOM 1279 OG1 THR A 84 -10.157 -13.416 -8.369 1.00 0.00 O ATOM 1280 CG2 THR A 84 -11.302 -11.478 -9.244 1.00 0.00 C ATOM 0 H THR A 84 -12.086 -10.296 -7.043 1.00 0.00 H new ATOM 0 HA THR A 84 -10.244 -12.093 -6.011 1.00 0.00 H new ATOM 0 HB THR A 84 -11.960 -12.718 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.580 -13.950 -9.073 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.763 -12.097 -10.014 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.979 -10.666 -8.977 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.369 -11.062 -9.624 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.955 -9.842 -8.007 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.706 -9.280 -8.508 1.00 0.00 C ATOM 1290 C LYS A 85 -7.192 -8.183 -7.582 1.00 0.00 C ATOM 1291 O LYS A 85 -7.918 -7.701 -6.711 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.905 -8.720 -9.918 1.00 0.00 C ATOM 1293 CG LYS A 85 -8.502 -9.722 -10.892 1.00 0.00 C ATOM 1294 CD LYS A 85 -7.421 -10.483 -11.642 1.00 0.00 C ATOM 1295 CE LYS A 85 -6.686 -11.452 -10.729 1.00 0.00 C ATOM 1296 NZ LYS A 85 -5.483 -10.828 -10.111 1.00 0.00 N ATOM 0 H LYS A 85 -9.777 -9.264 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.965 -10.079 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.555 -7.846 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.944 -8.379 -10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.134 -10.425 -10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.142 -9.201 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.869 -11.031 -12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.711 -9.778 -12.073 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.361 -11.795 -9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.387 -12.332 -11.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.452 -11.063 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.626 -11.190 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.530 -9.795 -10.226 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.938 -7.791 -7.776 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.327 -6.748 -6.958 1.00 0.00 C ATOM 1312 C LEU A 86 -5.671 -5.363 -7.497 1.00 0.00 C ATOM 1313 O LEU A 86 -6.067 -4.473 -6.743 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.809 -6.929 -6.916 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.110 -6.444 -5.645 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.615 -5.065 -5.252 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.321 -7.435 -4.510 1.00 0.00 C ATOM 0 H LEU A 86 -5.324 -8.179 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.725 -6.834 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.586 -7.988 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.377 -6.403 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.041 -6.373 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.107 -4.736 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.412 -4.360 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.689 -5.109 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.817 -7.074 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.388 -7.538 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.910 -8.404 -4.792 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.519 -5.188 -8.805 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.816 -3.912 -9.446 1.00 0.00 C ATOM 1331 C ASP A 87 -7.291 -3.557 -9.291 1.00 0.00 C ATOM 1332 O ASP A 87 -7.634 -2.426 -8.948 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.443 -3.962 -10.928 1.00 0.00 C ATOM 1334 CG ASP A 87 -6.160 -2.903 -11.742 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -5.922 -1.703 -11.494 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -6.960 -3.275 -12.626 1.00 0.00 O ATOM 0 H ASP A 87 -5.192 -5.914 -9.443 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.222 -3.140 -8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.366 -3.830 -11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.683 -4.947 -11.327 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.159 -4.531 -9.549 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.598 -4.320 -9.440 1.00 0.00 C ATOM 1343 C GLN A 88 -9.954 -3.681 -8.102 1.00 0.00 C ATOM 1344 O GLN A 88 -10.987 -3.021 -7.973 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.342 -5.646 -9.600 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.555 -6.053 -11.049 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.227 -4.968 -11.868 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -12.111 -4.264 -11.380 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -10.810 -4.827 -13.120 1.00 0.00 N ATOM 0 H GLN A 88 -7.891 -5.473 -9.835 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.903 -3.642 -10.238 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.783 -6.430 -9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.311 -5.571 -9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.593 -6.299 -11.498 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.163 -6.957 -11.083 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.074 -5.433 -13.484 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.225 -4.113 -13.718 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.095 -3.880 -7.109 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.320 -3.324 -5.779 1.00 0.00 C ATOM 1360 C LEU A 89 -8.860 -1.871 -5.712 1.00 0.00 C ATOM 1361 O LEU A 89 -9.493 -1.039 -5.061 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.582 -4.153 -4.727 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.603 -3.600 -3.301 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.413 -4.721 -2.291 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.531 -2.534 -3.126 1.00 0.00 C ATOM 0 H LEU A 89 -8.236 -4.422 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.390 -3.357 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.014 -5.154 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.543 -4.258 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.576 -3.141 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.431 -4.309 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.217 -5.449 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.455 -5.210 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.561 -2.152 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.551 -2.968 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.713 -1.717 -3.825 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.758 -1.573 -6.391 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.216 -0.219 -6.411 1.00 0.00 C ATOM 1379 C ILE A 90 -8.126 0.725 -7.189 1.00 0.00 C ATOM 1380 O ILE A 90 -8.649 1.692 -6.637 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.808 -0.186 -7.034 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.873 -1.139 -6.285 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.254 1.231 -7.015 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.516 -0.665 -4.894 1.00 0.00 C ATOM 0 H ILE A 90 -7.223 -2.250 -6.935 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.154 0.112 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.877 -0.515 -8.071 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.345 -2.119 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.958 -1.266 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.258 1.238 -7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.911 1.886 -7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.195 1.585 -5.986 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.851 -1.389 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.015 0.301 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.424 -0.565 -4.299 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.310 0.437 -8.474 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.158 1.261 -9.327 1.00 0.00 C ATOM 1398 C GLU A 91 -10.396 1.734 -8.570 1.00 0.00 C ATOM 1399 O GLU A 91 -10.898 2.833 -8.805 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.578 0.479 -10.574 1.00 0.00 C ATOM 1401 CG GLU A 91 -9.715 1.343 -11.816 1.00 0.00 C ATOM 1402 CD GLU A 91 -10.757 0.814 -12.783 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -10.925 -0.422 -12.855 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -11.403 1.634 -13.467 1.00 0.00 O ATOM 0 H GLU A 91 -7.883 -0.360 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.583 2.136 -9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.845 -0.304 -10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.529 -0.016 -10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.981 2.358 -11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.751 1.401 -12.322 1.00 0.00 H new ATOM 1411 N PHE A 92 -10.883 0.896 -7.661 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.062 1.227 -6.870 1.00 0.00 C ATOM 1413 C PHE A 92 -11.712 2.212 -5.758 1.00 0.00 C ATOM 1414 O PHE A 92 -12.474 3.135 -5.470 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.672 -0.041 -6.270 1.00 0.00 C ATOM 1416 CG PHE A 92 -13.852 0.224 -5.380 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -15.032 0.730 -5.902 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -13.782 -0.030 -4.019 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -16.119 0.975 -5.086 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -14.866 0.212 -3.198 1.00 0.00 C ATOM 1421 CZ PHE A 92 -16.036 0.717 -3.732 1.00 0.00 C ATOM 0 H PHE A 92 -10.479 -0.017 -7.454 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.792 1.696 -7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.979 -0.705 -7.079 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.907 -0.567 -5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.102 0.935 -6.960 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.869 -0.422 -3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.033 1.368 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -14.799 0.007 -2.140 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.884 0.910 -3.092 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.556 2.007 -5.137 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.106 2.875 -4.055 1.00 0.00 C ATOM 1433 C TYR A 93 -9.642 4.224 -4.595 1.00 0.00 C ATOM 1434 O TYR A 93 -9.226 5.100 -3.837 1.00 0.00 O ATOM 1435 CB TYR A 93 -8.971 2.207 -3.277 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.445 1.169 -2.285 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.442 0.261 -2.622 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -8.897 1.096 -1.011 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.879 -0.688 -1.719 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -9.327 0.149 -0.101 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.318 -0.740 -0.460 1.00 0.00 C ATOM 1442 OH TYR A 93 -10.750 -1.685 0.443 1.00 0.00 O ATOM 0 H TYR A 93 -9.914 1.248 -5.364 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.948 3.044 -3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.286 1.737 -3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.406 2.973 -2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.883 0.298 -3.607 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.121 1.791 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.655 -1.385 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.889 0.105 0.885 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.052 -2.483 -0.038 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.717 4.384 -5.912 1.00 0.00 N ATOM 1453 CA LYS A 94 -9.308 5.626 -6.557 1.00 0.00 C ATOM 1454 C LYS A 94 -10.387 6.694 -6.415 1.00 0.00 C ATOM 1455 O LYS A 94 -10.156 7.869 -6.704 1.00 0.00 O ATOM 1456 CB LYS A 94 -9.009 5.382 -8.038 1.00 0.00 C ATOM 1457 CG LYS A 94 -7.614 4.840 -8.296 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.271 4.865 -9.776 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.021 4.050 -10.072 1.00 0.00 C ATOM 1460 NZ LYS A 94 -4.778 4.833 -9.828 1.00 0.00 N ATOM 0 H LYS A 94 -10.058 3.668 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.403 5.981 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.742 4.681 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.133 6.317 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.885 5.432 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.545 3.818 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.109 4.471 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.120 5.895 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.015 3.155 -9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.042 3.716 -11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.949 4.243 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.771 5.674 -10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.745 5.130 -8.832 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.568 6.281 -5.966 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.683 7.202 -5.782 1.00 0.00 C ATOM 1476 C LYS A 95 -12.358 8.243 -4.715 1.00 0.00 C ATOM 1477 O LYS A 95 -11.264 8.247 -4.153 1.00 0.00 O ATOM 1478 CB LYS A 95 -13.947 6.433 -5.392 1.00 0.00 C ATOM 1479 CG LYS A 95 -14.771 5.974 -6.582 1.00 0.00 C ATOM 1480 CD LYS A 95 -15.384 7.150 -7.323 1.00 0.00 C ATOM 1481 CE LYS A 95 -16.289 6.687 -8.454 1.00 0.00 C ATOM 1482 NZ LYS A 95 -17.656 6.349 -7.967 1.00 0.00 N ATOM 0 H LYS A 95 -11.777 5.313 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.856 7.718 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.664 5.563 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.565 7.066 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -14.141 5.402 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.562 5.305 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.956 7.762 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.591 7.781 -7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.356 7.470 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.849 5.814 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.243 6.038 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -17.595 5.585 -7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.086 7.188 -7.529 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.637 5.960 0.734 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.729 6.003 1.875 1.00 0.00 C ATOM 1551 C LEU A 100 -8.506 7.438 2.339 1.00 0.00 C ATOM 1552 O LEU A 100 -9.127 8.371 1.829 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.390 5.359 1.509 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.467 4.012 0.790 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.269 3.828 -0.129 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.548 2.874 1.797 1.00 0.00 C ATOM 0 HA LEU A 100 -9.184 5.443 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.836 6.054 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.811 5.228 2.423 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.371 3.998 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.341 2.864 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.255 4.625 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.351 3.863 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.602 1.923 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.662 2.886 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.438 2.997 2.414 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.613 7.609 3.309 1.00 0.00 N ATOM 1569 CA VAL A 101 -7.305 8.931 3.840 1.00 0.00 C ATOM 1570 C VAL A 101 -7.304 9.981 2.735 1.00 0.00 C ATOM 1571 O VAL A 101 -7.792 11.097 2.922 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.937 8.947 4.549 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.879 8.280 3.683 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -5.533 10.372 4.896 1.00 0.00 C ATOM 0 H VAL A 101 -7.090 6.848 3.743 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.084 9.170 4.564 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.022 8.382 5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.920 8.301 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.165 7.246 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.793 8.815 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.565 10.364 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.465 10.964 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.280 10.811 5.558 1.00 0.00 H new ATOM 1584 N THR A 102 -6.754 9.617 1.581 1.00 0.00 N ATOM 1585 CA THR A 102 -6.689 10.528 0.445 1.00 0.00 C ATOM 1586 C THR A 102 -6.811 9.772 -0.873 1.00 0.00 C ATOM 1587 O THR A 102 -6.048 8.842 -1.141 1.00 0.00 O ATOM 1588 CB THR A 102 -5.374 11.331 0.443 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.550 12.557 -0.276 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.249 10.524 -0.188 1.00 0.00 C ATOM 0 H THR A 102 -6.347 8.698 1.408 1.00 0.00 H new ATOM 0 HA THR A 102 -7.527 11.218 0.545 1.00 0.00 H new ATOM 0 HB THR A 102 -5.107 11.552 1.476 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.109 13.286 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.331 11.111 -0.178 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.098 9.605 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.511 10.277 -1.217 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.775 10.175 -1.695 1.00 0.00 N ATOM 1599 CA HIS A 103 -7.996 9.536 -2.987 1.00 0.00 C ATOM 1600 C HIS A 103 -6.701 9.473 -3.791 1.00 0.00 C ATOM 1601 O HIS A 103 -6.026 10.486 -3.980 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.065 10.292 -3.777 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.807 11.764 -3.877 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -9.312 12.679 -2.978 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -8.090 12.478 -4.776 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -8.919 13.893 -3.320 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -8.175 13.798 -4.408 1.00 0.00 N ATOM 0 H HIS A 103 -8.416 10.941 -1.489 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.340 8.518 -2.807 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.127 9.873 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.035 10.133 -3.305 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.551 12.083 -5.625 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.164 14.807 -2.799 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.735 14.579 -4.895 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.360 8.278 -4.260 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.145 8.083 -5.044 1.00 0.00 C ATOM 1618 C LEU A 104 -5.093 9.052 -6.221 1.00 0.00 C ATOM 1619 O LEU A 104 -6.122 9.383 -6.808 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.068 6.642 -5.551 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.341 5.550 -4.516 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.286 4.175 -5.163 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.344 5.641 -3.369 1.00 0.00 C ATOM 0 H LEU A 104 -6.907 7.430 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.290 8.281 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.781 6.527 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.075 6.478 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.343 5.700 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.483 3.411 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.038 4.112 -5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.297 4.015 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.553 4.856 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.332 5.517 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.432 6.615 -2.887 1.00 0.00 H new ATOM 1635 N GLN A 105 -3.889 9.500 -6.560 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.704 10.429 -7.668 1.00 0.00 C ATOM 1637 C GLN A 105 -2.617 9.936 -8.616 1.00 0.00 C ATOM 1638 O GLN A 105 -2.814 9.886 -9.830 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.346 11.820 -7.140 1.00 0.00 C ATOM 1640 CG GLN A 105 -4.506 12.532 -6.465 1.00 0.00 C ATOM 1641 CD GLN A 105 -4.183 13.971 -6.113 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -3.805 14.764 -6.977 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.330 14.317 -4.840 1.00 0.00 N ATOM 0 H GLN A 105 -3.027 9.235 -6.083 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.642 10.488 -8.220 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.524 11.729 -6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.987 12.432 -7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.374 12.509 -7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.780 11.993 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.646 13.628 -4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.127 15.272 -4.544 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.469 9.574 -8.055 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.348 9.088 -8.851 1.00 0.00 C ATOM 1654 C TYR A 106 0.198 7.782 -8.282 1.00 0.00 C ATOM 1655 O TYR A 106 0.822 7.750 -7.221 1.00 0.00 O ATOM 1656 CB TYR A 106 0.762 10.139 -8.903 1.00 0.00 C ATOM 1657 CG TYR A 106 0.253 11.561 -8.832 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.356 12.157 -9.929 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.382 12.308 -7.668 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -0.821 13.457 -9.869 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.082 13.607 -7.598 1.00 0.00 C ATOM 1662 CZ TYR A 106 -0.682 14.177 -8.701 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.146 15.471 -8.636 1.00 0.00 O ATOM 0 H TYR A 106 -1.290 9.608 -7.051 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.708 8.900 -9.863 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.452 9.967 -8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.330 10.011 -9.825 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.468 11.595 -10.844 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.853 11.865 -6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.290 13.906 -10.732 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.025 14.173 -6.684 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.987 15.492 -8.133 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.040 6.677 -9.004 1.00 0.00 N ATOM 1674 CA PRO A 107 0.420 5.348 -8.593 1.00 0.00 C ATOM 1675 C PRO A 107 1.935 5.203 -8.690 1.00 0.00 C ATOM 1676 O PRO A 107 2.469 4.861 -9.745 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.272 4.410 -9.586 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.521 5.250 -10.790 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.777 6.641 -10.279 1.00 0.00 C ATOM 0 HA PRO A 107 0.181 5.139 -7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.357 3.552 -9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.203 4.018 -9.177 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.337 5.233 -11.462 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.376 4.878 -11.355 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.414 7.398 -10.974 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.841 6.826 -10.133 1.00 0.00 H new ATOM 1687 N VAL A 108 2.622 5.465 -7.583 1.00 0.00 N ATOM 1688 CA VAL A 108 4.076 5.362 -7.544 1.00 0.00 C ATOM 1689 C VAL A 108 4.569 4.203 -8.403 1.00 0.00 C ATOM 1690 O VAL A 108 4.563 3.044 -7.987 1.00 0.00 O ATOM 1691 CB VAL A 108 4.586 5.172 -6.103 1.00 0.00 C ATOM 1692 CG1 VAL A 108 6.106 5.129 -6.076 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.060 6.278 -5.201 1.00 0.00 C ATOM 0 H VAL A 108 2.195 5.750 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 108 4.470 6.297 -7.941 1.00 0.00 H new ATOM 0 HB VAL A 108 4.212 4.220 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.448 4.994 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.457 4.298 -6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.504 6.064 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.430 6.128 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.402 7.244 -5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.970 6.256 -5.196 1.00 0.00 H new ATOM 1703 N PRO A 109 5.006 4.520 -9.630 1.00 0.00 N ATOM 1704 CA PRO A 109 5.511 3.519 -10.574 1.00 0.00 C ATOM 1705 C PRO A 109 6.853 2.938 -10.140 1.00 0.00 C ATOM 1706 O PRO A 109 7.632 3.597 -9.450 1.00 0.00 O ATOM 1707 CB PRO A 109 5.666 4.307 -11.878 1.00 0.00 C ATOM 1708 CG PRO A 109 5.854 5.720 -11.446 1.00 0.00 C ATOM 1709 CD PRO A 109 5.041 5.881 -10.192 1.00 0.00 C ATOM 0 HA PRO A 109 4.843 2.662 -10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.520 3.953 -12.456 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.786 4.201 -12.512 1.00 0.00 H new ATOM 0 HG2 PRO A 109 6.906 5.934 -11.259 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.520 6.412 -12.219 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.502 6.589 -9.503 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.039 6.252 -10.408 1.00 0.00 H new ATOM 1717 N LEU A 110 7.117 1.702 -10.548 1.00 0.00 N ATOM 1718 CA LEU A 110 8.366 1.033 -10.202 1.00 0.00 C ATOM 1719 C LEU A 110 9.565 1.921 -10.515 1.00 0.00 C ATOM 1720 O LEU A 110 9.553 2.677 -11.485 1.00 0.00 O ATOM 1721 CB LEU A 110 8.485 -0.290 -10.960 1.00 0.00 C ATOM 1722 CG LEU A 110 7.419 -1.341 -10.649 1.00 0.00 C ATOM 1723 CD1 LEU A 110 7.959 -2.741 -10.901 1.00 0.00 C ATOM 1724 CD2 LEU A 110 6.939 -1.204 -9.212 1.00 0.00 C ATOM 0 H LEU A 110 6.483 1.143 -11.119 1.00 0.00 H new ATOM 0 HA LEU A 110 8.357 0.832 -9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.456 -0.077 -12.029 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.464 -0.720 -10.748 1.00 0.00 H new ATOM 0 HG LEU A 110 6.570 -1.177 -11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.186 -3.475 -10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.253 -2.835 -11.946 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.825 -2.917 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.181 -1.960 -9.008 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.780 -1.342 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.512 -0.212 -9.064 1.00 0.00 H new