USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 864 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 103 ASN : amide:sc= -5.27! C(o=-9!,f=-8.7!) USER MOD Set 1.2: A 110 GLN : amide:sc= -3.71! C(o=-9!,f=-9.9!) USER MOD Set 2.1: A 102 CYS SG : rot 92:sc= 0.346 USER MOD Set 2.2: A 104 THR OG1 : rot -93:sc= 1.51 USER MOD Set 3.1: A 38 HIS : no HE2:sc= -7.84! C(o=-6.4!,f=-17!) USER MOD Set 3.2: A 98 SER OG : rot -160:sc= 1.39 USER MOD Set 4.1: A 24 TYR OH : rot 139:sc= -0.447 USER MOD Set 4.2: A 42 CYS SG : rot 172:sc= 0.347 USER MOD Set 4.3: A 43 HIS : no HE2:sc= -9.14! C(o=-11!,f=-5.4!) USER MOD Set 4.4: A 44 SER OG : rot -160:sc= -1.88 USER MOD Set 5.1: A 16 SER OG : rot -170:sc= 1.01 USER MOD Set 5.2: A 18 THR OG1 : rot 97:sc= 1.21 USER MOD Single : A 9 ASN : amide:sc= -0.062 X(o=-0.062,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -142:sc= 0.0209 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -140:sc= 0.601 (180deg=0.154) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -115:sc= -0.204 (180deg=-0.448) USER MOD Single : A 48 CYS SG : rot 67:sc= -0.842 USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -1.82 (180deg=-4.02!) USER MOD Single : A 61 ASN : amide:sc= -3.51! K(o=-3.5!,f=-0.28) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -173:sc= 0.189! USER MOD Single : A 72 SER OG : rot 75:sc= 0.207 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.325 USER MOD Single : A 114 SER OG : rot 180:sc= 0.02 USER MOD Single : A 116 THR OG1 : rot 89:sc= 0.778 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 122 THR OG1 : rot 20:sc= -3.98! USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot -1:sc= 0.451 USER MOD ----------------------------------------------------------------- ATOM 110 N ASN A 9 -4.013 -9.527 4.868 1.00 0.00 N ATOM 111 CA ASN A 9 -2.589 -9.114 5.032 1.00 0.00 C ATOM 112 C ASN A 9 -2.307 -7.833 4.235 1.00 0.00 C ATOM 113 O ASN A 9 -1.273 -7.213 4.388 1.00 0.00 O ATOM 114 CB ASN A 9 -1.773 -10.283 4.480 1.00 0.00 C ATOM 115 CG ASN A 9 -2.029 -11.528 5.333 1.00 0.00 C ATOM 116 OD1 ASN A 9 -1.343 -11.763 6.307 1.00 0.00 O ATOM 117 ND2 ASN A 9 -2.995 -12.341 5.005 1.00 0.00 N ATOM 0 HA ASN A 9 -2.340 -8.897 6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.048 -10.476 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.711 -10.036 4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.174 -13.174 5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.572 -12.144 4.187 1.00 0.00 H new ATOM 124 N ILE A 10 -3.215 -7.430 3.385 1.00 0.00 N ATOM 125 CA ILE A 10 -2.996 -6.191 2.585 1.00 0.00 C ATOM 126 C ILE A 10 -3.996 -5.107 3.019 1.00 0.00 C ATOM 127 O ILE A 10 -5.175 -5.362 3.167 1.00 0.00 O ATOM 128 CB ILE A 10 -3.235 -6.625 1.120 1.00 0.00 C ATOM 129 CG1 ILE A 10 -1.907 -7.078 0.496 1.00 0.00 C ATOM 130 CG2 ILE A 10 -3.818 -5.467 0.286 1.00 0.00 C ATOM 131 CD1 ILE A 10 -2.097 -7.336 -1.008 1.00 0.00 C ATOM 0 H ILE A 10 -4.100 -7.907 3.211 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.001 -5.766 2.719 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.951 -7.447 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.144 -6.315 0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.555 -7.985 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.976 -5.801 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.769 -5.152 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.122 -4.628 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.151 -7.657 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.846 -8.115 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.429 -6.419 -1.495 1.00 0.00 H new ATOM 143 N GLU A 11 -3.539 -3.899 3.190 1.00 0.00 N ATOM 144 CA GLU A 11 -4.470 -2.804 3.573 1.00 0.00 C ATOM 145 C GLU A 11 -5.093 -2.221 2.302 1.00 0.00 C ATOM 146 O GLU A 11 -4.395 -1.822 1.390 1.00 0.00 O ATOM 147 CB GLU A 11 -3.597 -1.762 4.274 1.00 0.00 C ATOM 148 CG GLU A 11 -4.468 -0.901 5.192 1.00 0.00 C ATOM 149 CD GLU A 11 -3.584 -0.192 6.221 1.00 0.00 C ATOM 150 OE1 GLU A 11 -2.457 -0.624 6.405 1.00 0.00 O ATOM 151 OE2 GLU A 11 -4.050 0.770 6.808 1.00 0.00 O ATOM 0 H GLU A 11 -2.563 -3.623 3.081 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.281 -3.139 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.817 -2.256 4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.097 -1.135 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.019 -0.167 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.206 -1.523 5.699 1.00 0.00 H new ATOM 158 N GLU A 12 -6.393 -2.179 2.221 1.00 0.00 N ATOM 159 CA GLU A 12 -7.037 -1.633 0.990 1.00 0.00 C ATOM 160 C GLU A 12 -7.244 -0.125 1.125 1.00 0.00 C ATOM 161 O GLU A 12 -7.769 0.356 2.110 1.00 0.00 O ATOM 162 CB GLU A 12 -8.377 -2.362 0.883 1.00 0.00 C ATOM 163 CG GLU A 12 -8.179 -3.678 0.126 1.00 0.00 C ATOM 164 CD GLU A 12 -9.502 -4.445 0.078 1.00 0.00 C ATOM 165 OE1 GLU A 12 -10.377 -4.135 0.870 1.00 0.00 O ATOM 166 OE2 GLU A 12 -9.619 -5.333 -0.752 1.00 0.00 O ATOM 0 H GLU A 12 -7.035 -2.496 2.947 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.425 -1.785 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.778 -2.558 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.104 -1.737 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.826 -3.478 -0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.415 -4.281 0.617 1.00 0.00 H new ATOM 173 N VAL A 13 -6.820 0.624 0.145 1.00 0.00 N ATOM 174 CA VAL A 13 -6.971 2.106 0.214 1.00 0.00 C ATOM 175 C VAL A 13 -7.710 2.625 -1.020 1.00 0.00 C ATOM 176 O VAL A 13 -7.733 1.991 -2.056 1.00 0.00 O ATOM 177 CB VAL A 13 -5.543 2.661 0.236 1.00 0.00 C ATOM 178 CG1 VAL A 13 -5.581 4.146 0.596 1.00 0.00 C ATOM 179 CG2 VAL A 13 -4.703 1.914 1.276 1.00 0.00 C ATOM 0 H VAL A 13 -6.374 0.273 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.545 2.411 1.089 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.096 2.528 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.566 4.543 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.170 4.685 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.035 4.271 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.690 2.317 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.150 2.039 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.670 0.854 1.024 1.00 0.00 H new ATOM 189 N ALA A 14 -8.303 3.782 -0.921 1.00 0.00 N ATOM 190 CA ALA A 14 -9.027 4.352 -2.091 1.00 0.00 C ATOM 191 C ALA A 14 -8.280 5.582 -2.606 1.00 0.00 C ATOM 192 O ALA A 14 -8.189 6.589 -1.931 1.00 0.00 O ATOM 193 CB ALA A 14 -10.402 4.751 -1.560 1.00 0.00 C ATOM 0 H ALA A 14 -8.317 4.358 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.104 3.644 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.994 5.180 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.910 3.870 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.285 5.488 -0.765 1.00 0.00 H new ATOM 199 N LEU A 15 -7.747 5.514 -3.794 1.00 0.00 N ATOM 200 CA LEU A 15 -7.008 6.689 -4.342 1.00 0.00 C ATOM 201 C LEU A 15 -7.881 7.943 -4.248 1.00 0.00 C ATOM 202 O LEU A 15 -9.083 7.886 -4.409 1.00 0.00 O ATOM 203 CB LEU A 15 -6.721 6.339 -5.802 1.00 0.00 C ATOM 204 CG LEU A 15 -5.475 7.094 -6.271 1.00 0.00 C ATOM 205 CD1 LEU A 15 -4.228 6.474 -5.637 1.00 0.00 C ATOM 206 CD2 LEU A 15 -5.370 7.003 -7.795 1.00 0.00 C ATOM 0 H LEU A 15 -7.790 4.700 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.090 6.895 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.569 5.265 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.575 6.603 -6.425 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.551 8.139 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.342 7.014 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.302 6.538 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.150 5.428 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.483 7.540 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.295 5.957 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.257 7.447 -8.248 1.00 0.00 H new ATOM 218 N SER A 16 -7.289 9.072 -3.977 1.00 0.00 N ATOM 219 CA SER A 16 -8.090 10.323 -3.866 1.00 0.00 C ATOM 220 C SER A 16 -7.318 11.501 -4.467 1.00 0.00 C ATOM 221 O SER A 16 -6.226 11.344 -4.974 1.00 0.00 O ATOM 222 CB SER A 16 -8.295 10.524 -2.366 1.00 0.00 C ATOM 223 OG SER A 16 -7.099 11.038 -1.795 1.00 0.00 O ATOM 0 H SER A 16 -6.286 9.183 -3.828 1.00 0.00 H new ATOM 0 HA SER A 16 -9.036 10.259 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.122 11.212 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.561 9.578 -1.893 1.00 0.00 H new ATOM 0 HG SER A 16 -7.169 11.020 -0.818 1.00 0.00 H new ATOM 229 N THR A 17 -7.877 12.679 -4.412 1.00 0.00 N ATOM 230 CA THR A 17 -7.172 13.865 -4.980 1.00 0.00 C ATOM 231 C THR A 17 -6.122 14.376 -3.991 1.00 0.00 C ATOM 232 O THR A 17 -6.162 15.509 -3.554 1.00 0.00 O ATOM 233 CB THR A 17 -8.266 14.909 -5.193 1.00 0.00 C ATOM 234 OG1 THR A 17 -8.995 15.080 -3.985 1.00 0.00 O ATOM 235 CG2 THR A 17 -9.209 14.439 -6.298 1.00 0.00 C ATOM 0 H THR A 17 -8.790 12.872 -3.999 1.00 0.00 H new ATOM 0 HA THR A 17 -6.647 13.633 -5.907 1.00 0.00 H new ATOM 0 HB THR A 17 -7.815 15.858 -5.482 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.697 15.751 -4.119 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.990 15.184 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.648 14.307 -7.223 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.663 13.491 -6.010 1.00 0.00 H new ATOM 243 N THR A 18 -5.184 13.543 -3.636 1.00 0.00 N ATOM 244 CA THR A 18 -4.127 13.968 -2.672 1.00 0.00 C ATOM 245 C THR A 18 -2.744 13.573 -3.183 1.00 0.00 C ATOM 246 O THR A 18 -2.393 12.414 -3.188 1.00 0.00 O ATOM 247 CB THR A 18 -4.428 13.194 -1.392 1.00 0.00 C ATOM 248 OG1 THR A 18 -5.796 13.360 -1.043 1.00 0.00 O ATOM 249 CG2 THR A 18 -3.539 13.720 -0.265 1.00 0.00 C ATOM 0 H THR A 18 -5.102 12.583 -3.972 1.00 0.00 H new ATOM 0 HA THR A 18 -4.128 15.048 -2.526 1.00 0.00 H new ATOM 0 HB THR A 18 -4.227 12.134 -1.549 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.312 12.592 -1.366 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.750 13.170 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.492 13.586 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.740 14.780 -0.107 1.00 0.00 H new ATOM 257 N GLY A 19 -1.942 14.515 -3.593 1.00 0.00 N ATOM 258 CA GLY A 19 -0.583 14.141 -4.077 1.00 0.00 C ATOM 259 C GLY A 19 -0.106 15.094 -5.166 1.00 0.00 C ATOM 260 O GLY A 19 -0.720 16.105 -5.445 1.00 0.00 O ATOM 0 H GLY A 19 -2.162 15.511 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.120 14.155 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.599 13.122 -4.463 1.00 0.00 H new ATOM 264 N GLU A 20 0.998 14.768 -5.785 1.00 0.00 N ATOM 265 CA GLU A 20 1.541 15.640 -6.863 1.00 0.00 C ATOM 266 C GLU A 20 1.481 14.924 -8.210 1.00 0.00 C ATOM 267 O GLU A 20 1.474 15.555 -9.250 1.00 0.00 O ATOM 268 CB GLU A 20 2.996 15.901 -6.482 1.00 0.00 C ATOM 269 CG GLU A 20 3.070 16.450 -5.056 1.00 0.00 C ATOM 270 CD GLU A 20 3.505 17.916 -5.094 1.00 0.00 C ATOM 271 OE1 GLU A 20 4.253 18.269 -5.990 1.00 0.00 O ATOM 272 OE2 GLU A 20 3.083 18.661 -4.224 1.00 0.00 O ATOM 0 H GLU A 20 1.548 13.932 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 20 0.968 16.562 -6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.572 14.978 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.442 16.612 -7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.098 16.361 -4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.776 15.865 -4.466 1.00 0.00 H new ATOM 279 N ILE A 21 1.436 13.616 -8.216 1.00 0.00 N ATOM 280 CA ILE A 21 1.379 12.907 -9.525 1.00 0.00 C ATOM 281 C ILE A 21 -0.091 12.638 -9.892 1.00 0.00 C ATOM 282 O ILE A 21 -0.755 11.841 -9.261 1.00 0.00 O ATOM 283 CB ILE A 21 2.182 11.616 -9.341 1.00 0.00 C ATOM 284 CG1 ILE A 21 2.030 10.740 -10.579 1.00 0.00 C ATOM 285 CG2 ILE A 21 1.700 10.847 -8.122 1.00 0.00 C ATOM 286 CD1 ILE A 21 3.005 9.573 -10.472 1.00 0.00 C ATOM 0 H ILE A 21 1.436 13.020 -7.388 1.00 0.00 H new ATOM 0 HA ILE A 21 1.802 13.490 -10.343 1.00 0.00 H new ATOM 0 HB ILE A 21 3.229 11.881 -9.196 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.007 10.372 -10.659 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.231 11.320 -11.480 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.286 9.934 -8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.820 11.464 -7.232 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.648 10.590 -8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.908 8.936 -11.351 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.024 9.955 -10.411 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.781 8.992 -9.577 1.00 0.00 H new ATOM 298 N PRO A 22 -0.566 13.344 -10.891 1.00 0.00 N ATOM 299 CA PRO A 22 -1.984 13.204 -11.318 1.00 0.00 C ATOM 300 C PRO A 22 -2.279 11.792 -11.828 1.00 0.00 C ATOM 301 O PRO A 22 -1.443 11.139 -12.420 1.00 0.00 O ATOM 302 CB PRO A 22 -2.130 14.248 -12.424 1.00 0.00 C ATOM 303 CG PRO A 22 -0.740 14.465 -12.923 1.00 0.00 C ATOM 304 CD PRO A 22 0.154 14.322 -11.722 1.00 0.00 C ATOM 0 HA PRO A 22 -2.689 13.358 -10.501 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.786 13.894 -13.219 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.563 15.172 -12.042 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.482 13.736 -13.691 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.636 15.452 -13.373 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.146 13.965 -11.997 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.289 15.271 -11.203 1.00 0.00 H new ATOM 312 N PHE A 23 -3.472 11.317 -11.582 1.00 0.00 N ATOM 313 CA PHE A 23 -3.848 9.944 -12.026 1.00 0.00 C ATOM 314 C PHE A 23 -5.260 9.944 -12.627 1.00 0.00 C ATOM 315 O PHE A 23 -5.808 10.980 -12.941 1.00 0.00 O ATOM 316 CB PHE A 23 -3.813 9.106 -10.746 1.00 0.00 C ATOM 317 CG PHE A 23 -3.425 7.687 -11.078 1.00 0.00 C ATOM 318 CD1 PHE A 23 -2.186 7.421 -11.670 1.00 0.00 C ATOM 319 CD2 PHE A 23 -4.304 6.636 -10.792 1.00 0.00 C ATOM 320 CE1 PHE A 23 -1.825 6.104 -11.979 1.00 0.00 C ATOM 321 CE2 PHE A 23 -3.946 5.319 -11.100 1.00 0.00 C ATOM 322 CZ PHE A 23 -2.705 5.052 -11.694 1.00 0.00 C ATOM 0 H PHE A 23 -4.206 11.826 -11.089 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.180 9.557 -12.795 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.100 9.532 -10.040 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.790 9.122 -10.262 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.507 8.232 -11.889 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.260 6.842 -10.333 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.869 5.899 -12.437 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.625 4.509 -10.880 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.427 4.036 -11.932 1.00 0.00 H new ATOM 332 N TYR A 24 -5.846 8.785 -12.786 1.00 0.00 N ATOM 333 CA TYR A 24 -7.222 8.700 -13.368 1.00 0.00 C ATOM 334 C TYR A 24 -8.226 9.459 -12.496 1.00 0.00 C ATOM 335 O TYR A 24 -8.944 8.875 -11.708 1.00 0.00 O ATOM 336 CB TYR A 24 -7.541 7.204 -13.370 1.00 0.00 C ATOM 337 CG TYR A 24 -6.500 6.477 -14.185 1.00 0.00 C ATOM 338 CD1 TYR A 24 -6.274 6.841 -15.517 1.00 0.00 C ATOM 339 CD2 TYR A 24 -5.753 5.444 -13.605 1.00 0.00 C ATOM 340 CE1 TYR A 24 -5.304 6.171 -16.271 1.00 0.00 C ATOM 341 CE2 TYR A 24 -4.783 4.775 -14.359 1.00 0.00 C ATOM 342 CZ TYR A 24 -4.558 5.138 -15.693 1.00 0.00 C ATOM 343 OH TYR A 24 -3.601 4.478 -16.435 1.00 0.00 O ATOM 0 H TYR A 24 -5.429 7.888 -12.537 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.279 9.142 -14.363 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -7.554 6.821 -12.350 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.533 7.032 -13.788 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.848 7.639 -15.963 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.926 5.164 -12.576 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.131 6.451 -17.300 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.207 3.978 -13.912 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.808 4.322 -15.881 1.00 0.00 H new ATOM 353 N GLY A 25 -8.277 10.758 -12.621 1.00 0.00 N ATOM 354 CA GLY A 25 -9.227 11.553 -11.790 1.00 0.00 C ATOM 355 C GLY A 25 -8.775 11.538 -10.324 1.00 0.00 C ATOM 356 O GLY A 25 -9.467 12.019 -9.449 1.00 0.00 O ATOM 0 H GLY A 25 -7.702 11.303 -13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.273 12.579 -12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.232 11.139 -11.874 1.00 0.00 H new ATOM 360 N LYS A 26 -7.618 10.993 -10.046 1.00 0.00 N ATOM 361 CA LYS A 26 -7.126 10.950 -8.641 1.00 0.00 C ATOM 362 C LYS A 26 -5.692 11.476 -8.585 1.00 0.00 C ATOM 363 O LYS A 26 -4.975 11.435 -9.563 1.00 0.00 O ATOM 364 CB LYS A 26 -7.174 9.474 -8.248 1.00 0.00 C ATOM 365 CG LYS A 26 -8.629 9.004 -8.204 1.00 0.00 C ATOM 366 CD LYS A 26 -9.335 9.652 -7.012 1.00 0.00 C ATOM 367 CE LYS A 26 -10.634 10.309 -7.481 1.00 0.00 C ATOM 368 NZ LYS A 26 -11.712 9.583 -6.755 1.00 0.00 N ATOM 0 H LYS A 26 -6.993 10.575 -10.736 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.724 11.565 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.610 8.877 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.705 9.331 -7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.137 9.270 -9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.670 7.918 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.549 8.901 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.685 10.396 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.646 11.373 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.755 10.220 -8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.637 9.976 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.679 8.574 -7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.574 9.691 -5.730 1.00 0.00 H new ATOM 382 N ALA A 27 -5.258 11.959 -7.454 1.00 0.00 N ATOM 383 CA ALA A 27 -3.863 12.465 -7.366 1.00 0.00 C ATOM 384 C ALA A 27 -3.050 11.531 -6.477 1.00 0.00 C ATOM 385 O ALA A 27 -3.213 11.502 -5.274 1.00 0.00 O ATOM 386 CB ALA A 27 -3.977 13.853 -6.739 1.00 0.00 C ATOM 0 H ALA A 27 -5.804 12.024 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.366 12.511 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.984 14.291 -6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.594 14.489 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.435 13.771 -5.753 1.00 0.00 H new ATOM 392 N ILE A 28 -2.186 10.755 -7.061 1.00 0.00 N ATOM 393 CA ILE A 28 -1.378 9.811 -6.252 1.00 0.00 C ATOM 394 C ILE A 28 -0.410 10.572 -5.328 1.00 0.00 C ATOM 395 O ILE A 28 0.538 11.181 -5.787 1.00 0.00 O ATOM 396 CB ILE A 28 -0.609 8.961 -7.289 1.00 0.00 C ATOM 397 CG1 ILE A 28 -1.500 7.805 -7.762 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.679 8.382 -6.675 1.00 0.00 C ATOM 399 CD1 ILE A 28 -0.697 6.873 -8.679 1.00 0.00 C ATOM 0 H ILE A 28 -2.005 10.734 -8.065 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.995 9.194 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.342 9.601 -8.130 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.877 7.249 -6.903 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.367 8.196 -8.294 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.203 7.788 -7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.322 9.197 -6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.424 7.751 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.334 6.054 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.342 7.432 -9.545 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.156 6.471 -8.132 1.00 0.00 H new ATOM 411 N PRO A 29 -0.635 10.463 -4.047 1.00 0.00 N ATOM 412 CA PRO A 29 0.299 11.085 -3.089 1.00 0.00 C ATOM 413 C PRO A 29 1.593 10.273 -3.148 1.00 0.00 C ATOM 414 O PRO A 29 1.564 9.059 -3.106 1.00 0.00 O ATOM 415 CB PRO A 29 -0.411 10.944 -1.744 1.00 0.00 C ATOM 416 CG PRO A 29 -1.336 9.782 -1.922 1.00 0.00 C ATOM 417 CD PRO A 29 -1.750 9.780 -3.372 1.00 0.00 C ATOM 0 HA PRO A 29 0.550 12.128 -3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.300 10.764 -0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.959 11.851 -1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.840 8.848 -1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.205 9.875 -1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.887 8.767 -3.749 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.693 10.306 -3.521 1.00 0.00 H new ATOM 425 N LEU A 30 2.723 10.910 -3.288 1.00 0.00 N ATOM 426 CA LEU A 30 3.987 10.127 -3.397 1.00 0.00 C ATOM 427 C LEU A 30 4.152 9.199 -2.188 1.00 0.00 C ATOM 428 O LEU A 30 4.909 8.255 -2.228 1.00 0.00 O ATOM 429 CB LEU A 30 5.123 11.158 -3.434 1.00 0.00 C ATOM 430 CG LEU A 30 5.182 11.884 -4.793 1.00 0.00 C ATOM 431 CD1 LEU A 30 6.514 12.626 -4.892 1.00 0.00 C ATOM 432 CD2 LEU A 30 5.086 10.889 -5.962 1.00 0.00 C ATOM 0 H LEU A 30 2.827 11.924 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 30 3.987 9.498 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.980 11.887 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.074 10.660 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 30 4.340 12.574 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.571 13.145 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.588 13.351 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.334 11.912 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.130 11.432 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.916 10.184 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.144 10.345 -5.900 1.00 0.00 H new ATOM 444 N GLU A 31 3.450 9.440 -1.116 1.00 0.00 N ATOM 445 CA GLU A 31 3.589 8.546 0.073 1.00 0.00 C ATOM 446 C GLU A 31 3.222 7.099 -0.295 1.00 0.00 C ATOM 447 O GLU A 31 3.532 6.172 0.427 1.00 0.00 O ATOM 448 CB GLU A 31 2.611 9.107 1.112 1.00 0.00 C ATOM 449 CG GLU A 31 1.172 8.922 0.622 1.00 0.00 C ATOM 450 CD GLU A 31 0.255 9.923 1.326 1.00 0.00 C ATOM 451 OE1 GLU A 31 0.660 10.452 2.348 1.00 0.00 O ATOM 452 OE2 GLU A 31 -0.839 10.143 0.833 1.00 0.00 O ATOM 0 H GLU A 31 2.790 10.211 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 31 4.611 8.522 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.748 8.598 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.814 10.164 1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.124 9.067 -0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.837 7.904 0.822 1.00 0.00 H new ATOM 459 N VAL A 32 2.554 6.897 -1.402 1.00 0.00 N ATOM 460 CA VAL A 32 2.165 5.510 -1.795 1.00 0.00 C ATOM 461 C VAL A 32 3.221 4.881 -2.712 1.00 0.00 C ATOM 462 O VAL A 32 3.336 3.675 -2.801 1.00 0.00 O ATOM 463 CB VAL A 32 0.833 5.658 -2.544 1.00 0.00 C ATOM 464 CG1 VAL A 32 -0.161 6.440 -1.680 1.00 0.00 C ATOM 465 CG2 VAL A 32 1.055 6.404 -3.867 1.00 0.00 C ATOM 0 H VAL A 32 2.262 7.630 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 32 2.079 4.859 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 32 0.433 4.666 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.105 6.543 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.330 5.905 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.244 7.429 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.105 6.505 -4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.463 7.394 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.755 5.844 -4.487 1.00 0.00 H new ATOM 475 N ILE A 33 3.986 5.680 -3.403 1.00 0.00 N ATOM 476 CA ILE A 33 5.016 5.108 -4.316 1.00 0.00 C ATOM 477 C ILE A 33 6.423 5.526 -3.863 1.00 0.00 C ATOM 478 O ILE A 33 7.394 4.837 -4.108 1.00 0.00 O ATOM 479 CB ILE A 33 4.666 5.670 -5.699 1.00 0.00 C ATOM 480 CG1 ILE A 33 4.809 7.193 -5.690 1.00 0.00 C ATOM 481 CG2 ILE A 33 3.221 5.302 -6.045 1.00 0.00 C ATOM 482 CD1 ILE A 33 4.539 7.741 -7.093 1.00 0.00 C ATOM 0 H ILE A 33 3.944 6.699 -3.376 1.00 0.00 H new ATOM 0 HA ILE A 33 5.020 4.018 -4.322 1.00 0.00 H new ATOM 0 HB ILE A 33 5.343 5.247 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.110 7.630 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.811 7.473 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.969 5.700 -7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.114 4.217 -6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.549 5.726 -5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.641 8.826 -7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.256 7.314 -7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.528 7.474 -7.400 1.00 0.00 H new ATOM 494 N LYS A 34 6.539 6.639 -3.187 1.00 0.00 N ATOM 495 CA LYS A 34 7.873 7.094 -2.698 1.00 0.00 C ATOM 496 C LYS A 34 8.136 6.538 -1.299 1.00 0.00 C ATOM 497 O LYS A 34 7.229 6.328 -0.518 1.00 0.00 O ATOM 498 CB LYS A 34 7.785 8.621 -2.657 1.00 0.00 C ATOM 499 CG LYS A 34 9.058 9.193 -2.025 1.00 0.00 C ATOM 500 CD LYS A 34 9.749 10.123 -3.017 1.00 0.00 C ATOM 501 CE LYS A 34 11.190 9.652 -3.232 1.00 0.00 C ATOM 502 NZ LYS A 34 11.977 10.899 -3.442 1.00 0.00 N ATOM 0 H LYS A 34 5.762 7.256 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 34 8.686 6.751 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.659 9.015 -3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.912 8.930 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.811 9.737 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.730 8.383 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.210 10.128 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.741 11.146 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.556 9.095 -2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.264 8.989 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.703 10.733 -4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.343 11.661 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.436 11.174 -2.550 1.00 0.00 H new ATOM 516 N GLY A 35 9.373 6.289 -0.984 1.00 0.00 N ATOM 517 CA GLY A 35 9.705 5.739 0.353 1.00 0.00 C ATOM 518 C GLY A 35 10.233 4.313 0.192 1.00 0.00 C ATOM 519 O GLY A 35 10.653 3.689 1.146 1.00 0.00 O ATOM 0 H GLY A 35 10.172 6.444 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.453 6.364 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.821 5.743 0.991 1.00 0.00 H new ATOM 523 N GLY A 36 10.219 3.784 -1.007 1.00 0.00 N ATOM 524 CA GLY A 36 10.729 2.394 -1.196 1.00 0.00 C ATOM 525 C GLY A 36 10.362 1.880 -2.588 1.00 0.00 C ATOM 526 O GLY A 36 10.580 2.542 -3.584 1.00 0.00 O ATOM 0 H GLY A 36 9.881 4.248 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.811 2.376 -1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.307 1.738 -0.435 1.00 0.00 H new ATOM 530 N ARG A 37 9.810 0.699 -2.665 1.00 0.00 N ATOM 531 CA ARG A 37 9.434 0.136 -3.994 1.00 0.00 C ATOM 532 C ARG A 37 7.917 -0.035 -4.086 1.00 0.00 C ATOM 533 O ARG A 37 7.290 -0.581 -3.199 1.00 0.00 O ATOM 534 CB ARG A 37 10.129 -1.224 -4.060 1.00 0.00 C ATOM 535 CG ARG A 37 11.642 -1.031 -3.948 1.00 0.00 C ATOM 536 CD ARG A 37 12.357 -2.106 -4.769 1.00 0.00 C ATOM 537 NE ARG A 37 13.449 -2.600 -3.885 1.00 0.00 N ATOM 538 CZ ARG A 37 14.440 -1.812 -3.566 1.00 0.00 C ATOM 539 NH1 ARG A 37 14.934 -0.989 -4.451 1.00 0.00 N ATOM 540 NH2 ARG A 37 14.941 -1.848 -2.363 1.00 0.00 N ATOM 0 H ARG A 37 9.603 0.100 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 37 9.732 0.787 -4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.773 -1.865 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.884 -1.724 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.920 -0.040 -4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.950 -1.091 -2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.676 -2.912 -5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.755 -1.695 -5.697 1.00 0.00 H new ATOM 0 HE ARG A 37 13.423 -3.555 -3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.546 -0.961 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.708 -0.374 -4.200 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.559 -2.492 -1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.715 -1.232 -2.114 1.00 0.00 H new ATOM 554 N HIS A 38 7.317 0.431 -5.148 1.00 0.00 N ATOM 555 CA HIS A 38 5.839 0.291 -5.277 1.00 0.00 C ATOM 556 C HIS A 38 5.447 -0.042 -6.716 1.00 0.00 C ATOM 557 O HIS A 38 6.069 0.402 -7.660 1.00 0.00 O ATOM 558 CB HIS A 38 5.289 1.654 -4.873 1.00 0.00 C ATOM 559 CG HIS A 38 5.711 1.947 -3.458 1.00 0.00 C ATOM 560 ND1 HIS A 38 4.882 1.709 -2.373 1.00 0.00 N ATOM 561 CD2 HIS A 38 6.874 2.456 -2.936 1.00 0.00 C ATOM 562 CE1 HIS A 38 5.554 2.069 -1.264 1.00 0.00 C ATOM 563 NE2 HIS A 38 6.773 2.532 -1.551 1.00 0.00 N ATOM 0 H HIS A 38 7.782 0.899 -5.926 1.00 0.00 H new ATOM 0 HA HIS A 38 5.447 -0.516 -4.659 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.662 2.426 -5.546 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.202 1.661 -4.952 1.00 0.00 H new ATOM 0 HD1 HIS A 38 3.936 1.330 -2.409 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.737 2.753 -3.514 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.156 1.993 -0.263 1.00 0.00 H new ATOM 571 N LEU A 39 4.411 -0.815 -6.885 1.00 0.00 N ATOM 572 CA LEU A 39 3.966 -1.174 -8.260 1.00 0.00 C ATOM 573 C LEU A 39 2.681 -0.422 -8.605 1.00 0.00 C ATOM 574 O LEU A 39 1.710 -0.467 -7.876 1.00 0.00 O ATOM 575 CB LEU A 39 3.701 -2.678 -8.219 1.00 0.00 C ATOM 576 CG LEU A 39 3.149 -3.141 -9.570 1.00 0.00 C ATOM 577 CD1 LEU A 39 4.285 -3.213 -10.591 1.00 0.00 C ATOM 578 CD2 LEU A 39 2.517 -4.525 -9.413 1.00 0.00 C ATOM 0 H LEU A 39 3.853 -1.214 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 39 4.710 -0.913 -9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.622 -3.213 -7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.990 -2.910 -7.426 1.00 0.00 H new ATOM 0 HG LEU A 39 2.396 -2.433 -9.916 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.890 -3.543 -11.552 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.736 -2.227 -10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.039 -3.920 -10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.123 -4.856 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.271 -5.232 -9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.706 -4.474 -8.687 1.00 0.00 H new ATOM 590 N ILE A 40 2.662 0.257 -9.715 1.00 0.00 N ATOM 591 CA ILE A 40 1.432 0.997 -10.107 1.00 0.00 C ATOM 592 C ILE A 40 0.784 0.310 -11.309 1.00 0.00 C ATOM 593 O ILE A 40 1.418 0.044 -12.309 1.00 0.00 O ATOM 594 CB ILE A 40 1.898 2.401 -10.479 1.00 0.00 C ATOM 595 CG1 ILE A 40 2.720 2.992 -9.326 1.00 0.00 C ATOM 596 CG2 ILE A 40 0.687 3.295 -10.753 1.00 0.00 C ATOM 597 CD1 ILE A 40 3.137 4.424 -9.669 1.00 0.00 C ATOM 0 H ILE A 40 3.443 0.332 -10.367 1.00 0.00 H new ATOM 0 HA ILE A 40 0.693 1.024 -9.307 1.00 0.00 H new ATOM 0 HB ILE A 40 2.515 2.347 -11.376 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.133 2.984 -8.407 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.603 2.379 -9.145 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.026 4.296 -11.018 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.106 2.879 -11.576 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.064 3.348 -9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.720 4.840 -8.847 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.740 4.420 -10.577 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.248 5.034 -9.827 1.00 0.00 H new ATOM 609 N PHE A 41 -0.472 0.018 -11.214 1.00 0.00 N ATOM 610 CA PHE A 41 -1.170 -0.658 -12.345 1.00 0.00 C ATOM 611 C PHE A 41 -1.863 0.383 -13.230 1.00 0.00 C ATOM 612 O PHE A 41 -2.660 1.172 -12.765 1.00 0.00 O ATOM 613 CB PHE A 41 -2.195 -1.577 -11.681 1.00 0.00 C ATOM 614 CG PHE A 41 -1.551 -2.908 -11.372 1.00 0.00 C ATOM 615 CD1 PHE A 41 -1.089 -3.720 -12.414 1.00 0.00 C ATOM 616 CD2 PHE A 41 -1.414 -3.330 -10.043 1.00 0.00 C ATOM 617 CE1 PHE A 41 -0.492 -4.953 -12.130 1.00 0.00 C ATOM 618 CE2 PHE A 41 -0.817 -4.564 -9.759 1.00 0.00 C ATOM 619 CZ PHE A 41 -0.356 -5.375 -10.802 1.00 0.00 C ATOM 0 H PHE A 41 -1.055 0.216 -10.401 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.486 -1.213 -12.987 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.569 -1.120 -10.765 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.052 -1.719 -12.339 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.193 -3.394 -13.438 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.769 -2.704 -9.238 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.136 -5.579 -12.935 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.712 -4.890 -8.735 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.105 -6.327 -10.583 1.00 0.00 H new ATOM 629 N CYS A 42 -1.559 0.393 -14.501 1.00 0.00 N ATOM 630 CA CYS A 42 -2.200 1.394 -15.409 1.00 0.00 C ATOM 631 C CYS A 42 -3.056 0.696 -16.466 1.00 0.00 C ATOM 632 O CYS A 42 -2.880 -0.470 -16.754 1.00 0.00 O ATOM 633 CB CYS A 42 -1.042 2.129 -16.084 1.00 0.00 C ATOM 634 SG CYS A 42 -0.580 3.569 -15.091 1.00 0.00 S ATOM 0 H CYS A 42 -0.899 -0.243 -14.949 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.855 2.069 -14.859 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.188 1.461 -16.194 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.332 2.443 -17.087 1.00 0.00 H new ATOM 0 HG CYS A 42 0.507 4.096 -15.570 1.00 0.00 H new ATOM 640 N HIS A 43 -3.972 1.412 -17.055 1.00 0.00 N ATOM 641 CA HIS A 43 -4.830 0.799 -18.106 1.00 0.00 C ATOM 642 C HIS A 43 -4.422 1.319 -19.495 1.00 0.00 C ATOM 643 O HIS A 43 -5.036 0.994 -20.492 1.00 0.00 O ATOM 644 CB HIS A 43 -6.264 1.225 -17.745 1.00 0.00 C ATOM 645 CG HIS A 43 -6.470 2.687 -18.049 1.00 0.00 C ATOM 646 ND1 HIS A 43 -7.733 3.241 -18.180 1.00 0.00 N ATOM 647 CD2 HIS A 43 -5.585 3.714 -18.262 1.00 0.00 C ATOM 648 CE1 HIS A 43 -7.576 4.548 -18.461 1.00 0.00 C ATOM 649 NE2 HIS A 43 -6.286 4.889 -18.522 1.00 0.00 N ATOM 0 H HIS A 43 -4.163 2.394 -16.855 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.735 -0.286 -18.146 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.981 0.626 -18.307 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.451 1.037 -16.688 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.621 2.748 -18.081 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.509 3.625 -18.233 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.393 5.237 -18.618 1.00 0.00 H new ATOM 657 N SER A 44 -3.395 2.131 -19.570 1.00 0.00 N ATOM 658 CA SER A 44 -2.968 2.666 -20.893 1.00 0.00 C ATOM 659 C SER A 44 -1.444 2.622 -21.032 1.00 0.00 C ATOM 660 O SER A 44 -0.714 2.959 -20.122 1.00 0.00 O ATOM 661 CB SER A 44 -3.465 4.109 -20.915 1.00 0.00 C ATOM 662 OG SER A 44 -3.207 4.712 -19.654 1.00 0.00 O ATOM 0 H SER A 44 -2.839 2.443 -18.774 1.00 0.00 H new ATOM 0 HA SER A 44 -3.372 2.079 -21.718 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.965 4.666 -21.707 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.533 4.135 -21.132 1.00 0.00 H new ATOM 0 HG SER A 44 -3.784 5.496 -19.542 1.00 0.00 H new ATOM 668 N LYS A 45 -0.966 2.208 -22.173 1.00 0.00 N ATOM 669 CA LYS A 45 0.507 2.135 -22.397 1.00 0.00 C ATOM 670 C LYS A 45 1.103 3.541 -22.533 1.00 0.00 C ATOM 671 O LYS A 45 2.199 3.808 -22.083 1.00 0.00 O ATOM 672 CB LYS A 45 0.650 1.362 -23.707 1.00 0.00 C ATOM 673 CG LYS A 45 2.120 1.018 -23.946 1.00 0.00 C ATOM 674 CD LYS A 45 2.218 -0.056 -25.033 1.00 0.00 C ATOM 675 CE LYS A 45 2.885 0.534 -26.278 1.00 0.00 C ATOM 676 NZ LYS A 45 3.383 -0.645 -27.039 1.00 0.00 N ATOM 0 H LYS A 45 -1.536 1.915 -22.966 1.00 0.00 H new ATOM 0 HA LYS A 45 1.032 1.657 -21.570 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.055 0.450 -23.669 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.267 1.958 -24.535 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.669 1.909 -24.249 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.576 0.660 -23.023 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.794 -0.906 -24.668 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.224 -0.428 -25.282 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.176 1.115 -26.868 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.701 1.205 -26.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.319 -0.431 -27.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.457 -1.464 -26.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.721 -0.865 -27.810 1.00 0.00 H new ATOM 690 N LYS A 46 0.390 4.438 -23.157 1.00 0.00 N ATOM 691 CA LYS A 46 0.912 5.827 -23.331 1.00 0.00 C ATOM 692 C LYS A 46 1.050 6.519 -21.974 1.00 0.00 C ATOM 693 O LYS A 46 1.936 7.320 -21.758 1.00 0.00 O ATOM 694 CB LYS A 46 -0.140 6.537 -24.180 1.00 0.00 C ATOM 695 CG LYS A 46 -0.011 6.087 -25.637 1.00 0.00 C ATOM 696 CD LYS A 46 -1.019 4.970 -25.917 1.00 0.00 C ATOM 697 CE LYS A 46 -1.283 4.885 -27.423 1.00 0.00 C ATOM 698 NZ LYS A 46 -2.725 5.221 -27.579 1.00 0.00 N ATOM 0 H LYS A 46 -0.534 4.270 -23.555 1.00 0.00 H new ATOM 0 HA LYS A 46 1.898 5.840 -23.796 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.138 6.310 -23.806 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.011 7.617 -24.109 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.190 6.929 -26.306 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.002 5.735 -25.832 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.634 4.018 -25.550 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.950 5.164 -25.384 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.653 5.583 -27.974 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.066 3.888 -27.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.983 5.184 -28.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.300 4.536 -27.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.900 6.178 -27.212 1.00 0.00 H new ATOM 712 N LYS A 47 0.173 6.211 -21.061 1.00 0.00 N ATOM 713 CA LYS A 47 0.238 6.841 -19.714 1.00 0.00 C ATOM 714 C LYS A 47 1.403 6.250 -18.925 1.00 0.00 C ATOM 715 O LYS A 47 2.066 6.930 -18.166 1.00 0.00 O ATOM 716 CB LYS A 47 -1.096 6.490 -19.056 1.00 0.00 C ATOM 717 CG LYS A 47 -1.222 7.233 -17.726 1.00 0.00 C ATOM 718 CD LYS A 47 -2.101 8.471 -17.913 1.00 0.00 C ATOM 719 CE LYS A 47 -1.300 9.566 -18.622 1.00 0.00 C ATOM 720 NZ LYS A 47 -1.761 9.523 -20.039 1.00 0.00 N ATOM 0 H LYS A 47 -0.590 5.547 -21.191 1.00 0.00 H new ATOM 0 HA LYS A 47 0.397 7.918 -19.758 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.921 6.761 -19.715 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.160 5.414 -18.891 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.655 6.577 -16.971 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.236 7.526 -17.366 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.985 8.217 -18.497 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.451 8.831 -16.945 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.486 10.543 -18.176 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.228 9.381 -18.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.972 9.234 -20.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.539 8.839 -20.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.094 10.466 -20.325 1.00 0.00 H new ATOM 734 N CYS A 48 1.664 4.986 -19.107 1.00 0.00 N ATOM 735 CA CYS A 48 2.792 4.345 -18.380 1.00 0.00 C ATOM 736 C CYS A 48 4.102 5.030 -18.769 1.00 0.00 C ATOM 737 O CYS A 48 4.994 5.199 -17.962 1.00 0.00 O ATOM 738 CB CYS A 48 2.781 2.890 -18.851 1.00 0.00 C ATOM 739 SG CYS A 48 1.271 2.078 -18.266 1.00 0.00 S ATOM 0 H CYS A 48 1.143 4.369 -19.730 1.00 0.00 H new ATOM 0 HA CYS A 48 2.698 4.419 -17.297 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.831 2.848 -19.939 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.659 2.367 -18.471 1.00 0.00 H new ATOM 0 HG CYS A 48 0.239 2.607 -18.852 1.00 0.00 H new ATOM 745 N ASP A 49 4.223 5.431 -20.002 1.00 0.00 N ATOM 746 CA ASP A 49 5.478 6.104 -20.439 1.00 0.00 C ATOM 747 C ASP A 49 5.620 7.469 -19.759 1.00 0.00 C ATOM 748 O ASP A 49 6.647 7.789 -19.196 1.00 0.00 O ATOM 749 CB ASP A 49 5.323 6.268 -21.950 1.00 0.00 C ATOM 750 CG ASP A 49 5.589 4.929 -22.639 1.00 0.00 C ATOM 751 OD1 ASP A 49 6.720 4.475 -22.590 1.00 0.00 O ATOM 752 OD2 ASP A 49 4.655 4.379 -23.201 1.00 0.00 O ATOM 0 H ASP A 49 3.511 5.323 -20.724 1.00 0.00 H new ATOM 0 HA ASP A 49 6.368 5.532 -20.176 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.318 6.618 -22.187 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.018 7.023 -22.318 1.00 0.00 H new ATOM 757 N GLU A 50 4.596 8.274 -19.805 1.00 0.00 N ATOM 758 CA GLU A 50 4.671 9.616 -19.158 1.00 0.00 C ATOM 759 C GLU A 50 4.635 9.473 -17.636 1.00 0.00 C ATOM 760 O GLU A 50 5.383 10.107 -16.921 1.00 0.00 O ATOM 761 CB GLU A 50 3.432 10.368 -19.647 1.00 0.00 C ATOM 762 CG GLU A 50 3.369 10.326 -21.175 1.00 0.00 C ATOM 763 CD GLU A 50 3.596 11.731 -21.734 1.00 0.00 C ATOM 764 OE1 GLU A 50 4.737 12.162 -21.756 1.00 0.00 O ATOM 765 OE2 GLU A 50 2.624 12.353 -22.133 1.00 0.00 O ATOM 0 H GLU A 50 3.709 8.062 -20.262 1.00 0.00 H new ATOM 0 HA GLU A 50 5.593 10.139 -19.410 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.533 9.919 -19.224 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.464 11.402 -19.304 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.125 9.643 -21.562 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.400 9.946 -21.499 1.00 0.00 H new ATOM 772 N LEU A 51 3.751 8.650 -17.143 1.00 0.00 N ATOM 773 CA LEU A 51 3.631 8.462 -15.666 1.00 0.00 C ATOM 774 C LEU A 51 4.964 8.020 -15.055 1.00 0.00 C ATOM 775 O LEU A 51 5.368 8.513 -14.021 1.00 0.00 O ATOM 776 CB LEU A 51 2.564 7.372 -15.506 1.00 0.00 C ATOM 777 CG LEU A 51 2.154 7.204 -14.031 1.00 0.00 C ATOM 778 CD1 LEU A 51 3.247 6.452 -13.272 1.00 0.00 C ATOM 779 CD2 LEU A 51 1.927 8.571 -13.374 1.00 0.00 C ATOM 0 H LEU A 51 3.102 8.096 -17.702 1.00 0.00 H new ATOM 0 HA LEU A 51 3.361 9.385 -15.153 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.688 7.627 -16.103 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.947 6.426 -15.890 1.00 0.00 H new ATOM 0 HG LEU A 51 1.224 6.637 -13.994 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.952 6.336 -12.229 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.390 5.469 -13.720 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.179 7.014 -13.325 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.638 8.431 -12.332 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.847 9.154 -13.420 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.134 9.101 -13.902 1.00 0.00 H new ATOM 791 N ALA A 52 5.656 7.102 -15.675 1.00 0.00 N ATOM 792 CA ALA A 52 6.959 6.657 -15.100 1.00 0.00 C ATOM 793 C ALA A 52 7.978 7.796 -15.181 1.00 0.00 C ATOM 794 O ALA A 52 8.603 8.151 -14.201 1.00 0.00 O ATOM 795 CB ALA A 52 7.400 5.476 -15.960 1.00 0.00 C ATOM 0 H ALA A 52 5.380 6.645 -16.544 1.00 0.00 H new ATOM 0 HA ALA A 52 6.874 6.376 -14.050 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.354 5.096 -15.595 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.650 4.687 -15.906 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.511 5.801 -16.995 1.00 0.00 H new ATOM 801 N ALA A 53 8.142 8.382 -16.337 1.00 0.00 N ATOM 802 CA ALA A 53 9.111 9.507 -16.467 1.00 0.00 C ATOM 803 C ALA A 53 8.742 10.608 -15.473 1.00 0.00 C ATOM 804 O ALA A 53 9.594 11.263 -14.906 1.00 0.00 O ATOM 805 CB ALA A 53 8.958 10.002 -17.905 1.00 0.00 C ATOM 0 H ALA A 53 7.648 8.131 -17.194 1.00 0.00 H new ATOM 0 HA ALA A 53 10.138 9.207 -16.257 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.641 10.833 -18.078 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.190 9.191 -18.596 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.933 10.335 -18.068 1.00 0.00 H new ATOM 811 N LYS A 54 7.471 10.804 -15.250 1.00 0.00 N ATOM 812 CA LYS A 54 7.031 11.848 -14.281 1.00 0.00 C ATOM 813 C LYS A 54 7.658 11.555 -12.914 1.00 0.00 C ATOM 814 O LYS A 54 8.200 12.425 -12.274 1.00 0.00 O ATOM 815 CB LYS A 54 5.477 11.737 -14.288 1.00 0.00 C ATOM 816 CG LYS A 54 4.876 11.522 -12.881 1.00 0.00 C ATOM 817 CD LYS A 54 5.028 12.786 -12.025 1.00 0.00 C ATOM 818 CE LYS A 54 4.483 14.010 -12.778 1.00 0.00 C ATOM 819 NZ LYS A 54 3.128 13.614 -13.263 1.00 0.00 N ATOM 0 H LYS A 54 6.716 10.285 -15.698 1.00 0.00 H new ATOM 0 HA LYS A 54 7.340 12.863 -14.532 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.056 12.645 -14.721 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.181 10.909 -14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.821 11.260 -12.967 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.373 10.684 -12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.493 12.662 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.078 12.941 -11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.426 14.879 -12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.134 14.280 -13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.561 14.467 -13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.220 13.067 -14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.657 13.032 -12.541 1.00 0.00 H new ATOM 833 N LEU A 55 7.592 10.336 -12.474 1.00 0.00 N ATOM 834 CA LEU A 55 8.177 9.982 -11.150 1.00 0.00 C ATOM 835 C LEU A 55 9.667 10.318 -11.108 1.00 0.00 C ATOM 836 O LEU A 55 10.163 10.836 -10.126 1.00 0.00 O ATOM 837 CB LEU A 55 7.953 8.469 -11.031 1.00 0.00 C ATOM 838 CG LEU A 55 6.940 8.083 -9.919 1.00 0.00 C ATOM 839 CD1 LEU A 55 5.956 9.216 -9.618 1.00 0.00 C ATOM 840 CD2 LEU A 55 6.129 6.869 -10.380 1.00 0.00 C ATOM 0 H LEU A 55 7.156 9.562 -12.975 1.00 0.00 H new ATOM 0 HA LEU A 55 7.720 10.536 -10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.596 8.085 -11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.907 7.982 -10.828 1.00 0.00 H new ATOM 0 HG LEU A 55 7.512 7.868 -9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.267 8.901 -8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.506 10.096 -9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.394 9.459 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.415 6.592 -9.604 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.592 7.117 -11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.802 6.033 -10.569 1.00 0.00 H new ATOM 852 N VAL A 56 10.387 10.038 -12.156 1.00 0.00 N ATOM 853 CA VAL A 56 11.842 10.360 -12.150 1.00 0.00 C ATOM 854 C VAL A 56 12.026 11.857 -11.855 1.00 0.00 C ATOM 855 O VAL A 56 12.985 12.265 -11.231 1.00 0.00 O ATOM 856 CB VAL A 56 12.326 10.016 -13.560 1.00 0.00 C ATOM 857 CG1 VAL A 56 13.773 10.480 -13.737 1.00 0.00 C ATOM 858 CG2 VAL A 56 12.250 8.501 -13.765 1.00 0.00 C ATOM 0 H VAL A 56 10.037 9.604 -13.010 1.00 0.00 H new ATOM 0 HA VAL A 56 12.400 9.810 -11.392 1.00 0.00 H new ATOM 0 HB VAL A 56 11.694 10.519 -14.292 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.114 10.233 -14.742 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.830 11.558 -13.589 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.408 9.980 -13.006 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.594 8.252 -14.769 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.882 8.002 -13.030 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.219 8.168 -13.642 1.00 0.00 H new ATOM 868 N ALA A 57 11.102 12.674 -12.298 1.00 0.00 N ATOM 869 CA ALA A 57 11.206 14.145 -12.045 1.00 0.00 C ATOM 870 C ALA A 57 10.839 14.467 -10.591 1.00 0.00 C ATOM 871 O ALA A 57 11.376 15.377 -9.990 1.00 0.00 O ATOM 872 CB ALA A 57 10.200 14.784 -13.002 1.00 0.00 C ATOM 0 H ALA A 57 10.278 12.385 -12.825 1.00 0.00 H new ATOM 0 HA ALA A 57 12.218 14.517 -12.205 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.216 15.867 -12.877 1.00 0.00 H new ATOM 0 HB2 ALA A 57 10.465 14.533 -14.029 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.200 14.408 -12.783 1.00 0.00 H new ATOM 878 N LEU A 58 9.928 13.728 -10.022 1.00 0.00 N ATOM 879 CA LEU A 58 9.516 13.978 -8.615 1.00 0.00 C ATOM 880 C LEU A 58 10.635 13.560 -7.663 1.00 0.00 C ATOM 881 O LEU A 58 10.746 14.045 -6.555 1.00 0.00 O ATOM 882 CB LEU A 58 8.313 13.057 -8.425 1.00 0.00 C ATOM 883 CG LEU A 58 7.023 13.786 -8.793 1.00 0.00 C ATOM 884 CD1 LEU A 58 6.773 14.884 -7.771 1.00 0.00 C ATOM 885 CD2 LEU A 58 7.135 14.416 -10.187 1.00 0.00 C ATOM 0 H LEU A 58 9.447 12.953 -10.478 1.00 0.00 H new ATOM 0 HA LEU A 58 9.294 15.026 -8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.426 12.168 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.265 12.719 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 58 6.200 13.071 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.854 15.413 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.678 14.443 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.608 15.585 -7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.205 14.930 -10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.958 15.130 -10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.321 13.636 -10.925 1.00 0.00 H new ATOM 897 N GLY A 59 11.453 12.651 -8.096 1.00 0.00 N ATOM 898 CA GLY A 59 12.571 12.163 -7.237 1.00 0.00 C ATOM 899 C GLY A 59 12.438 10.647 -7.045 1.00 0.00 C ATOM 900 O GLY A 59 13.186 10.036 -6.308 1.00 0.00 O ATOM 0 H GLY A 59 11.399 12.217 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.530 12.400 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.549 12.667 -6.271 1.00 0.00 H new ATOM 904 N ILE A 60 11.483 10.040 -7.702 1.00 0.00 N ATOM 905 CA ILE A 60 11.280 8.574 -7.569 1.00 0.00 C ATOM 906 C ILE A 60 11.774 7.867 -8.826 1.00 0.00 C ATOM 907 O ILE A 60 11.596 8.359 -9.924 1.00 0.00 O ATOM 908 CB ILE A 60 9.770 8.406 -7.441 1.00 0.00 C ATOM 909 CG1 ILE A 60 9.263 9.234 -6.259 1.00 0.00 C ATOM 910 CG2 ILE A 60 9.446 6.934 -7.217 1.00 0.00 C ATOM 911 CD1 ILE A 60 7.762 9.009 -6.081 1.00 0.00 C ATOM 0 H ILE A 60 10.830 10.507 -8.331 1.00 0.00 H new ATOM 0 HA ILE A 60 11.821 8.153 -6.722 1.00 0.00 H new ATOM 0 HB ILE A 60 9.283 8.749 -8.354 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.794 8.951 -5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.465 10.291 -6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.367 6.809 -7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.808 6.349 -8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.931 6.590 -6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.403 9.600 -5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.238 9.314 -6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.573 7.953 -5.890 1.00 0.00 H new ATOM 923 N ASN A 61 12.356 6.706 -8.695 1.00 0.00 N ATOM 924 CA ASN A 61 12.803 5.992 -9.916 1.00 0.00 C ATOM 925 C ASN A 61 11.630 5.152 -10.383 1.00 0.00 C ATOM 926 O ASN A 61 11.266 4.179 -9.756 1.00 0.00 O ATOM 927 CB ASN A 61 13.972 5.119 -9.477 1.00 0.00 C ATOM 928 CG ASN A 61 14.662 4.530 -10.708 1.00 0.00 C ATOM 929 OD1 ASN A 61 15.690 5.017 -11.136 1.00 0.00 O ATOM 930 ND2 ASN A 61 14.137 3.491 -11.301 1.00 0.00 N ATOM 0 H ASN A 61 12.537 6.231 -7.811 1.00 0.00 H new ATOM 0 HA ASN A 61 13.115 6.646 -10.730 1.00 0.00 H new ATOM 0 HB2 ASN A 61 14.682 5.709 -8.897 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.618 4.318 -8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.590 3.090 -12.122 1.00 0.00 H new ATOM 0 HD22 ASN A 61 13.274 3.081 -10.943 1.00 0.00 H new ATOM 937 N ALA A 62 10.995 5.540 -11.442 1.00 0.00 N ATOM 938 CA ALA A 62 9.808 4.774 -11.879 1.00 0.00 C ATOM 939 C ALA A 62 10.000 4.181 -13.266 1.00 0.00 C ATOM 940 O ALA A 62 10.639 4.754 -14.126 1.00 0.00 O ATOM 941 CB ALA A 62 8.678 5.798 -11.849 1.00 0.00 C ATOM 0 H ALA A 62 11.242 6.344 -12.019 1.00 0.00 H new ATOM 0 HA ALA A 62 9.606 3.916 -11.238 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.748 5.322 -12.160 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.566 6.187 -10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.911 6.617 -12.529 1.00 0.00 H new ATOM 947 N VAL A 63 9.434 3.029 -13.485 1.00 0.00 N ATOM 948 CA VAL A 63 9.558 2.378 -14.817 1.00 0.00 C ATOM 949 C VAL A 63 8.173 2.002 -15.321 1.00 0.00 C ATOM 950 O VAL A 63 7.293 1.686 -14.548 1.00 0.00 O ATOM 951 CB VAL A 63 10.360 1.094 -14.603 1.00 0.00 C ATOM 952 CG1 VAL A 63 10.472 0.355 -15.938 1.00 0.00 C ATOM 953 CG2 VAL A 63 11.764 1.405 -14.092 1.00 0.00 C ATOM 0 H VAL A 63 8.889 2.509 -12.797 1.00 0.00 H new ATOM 0 HA VAL A 63 10.038 3.042 -15.536 1.00 0.00 H new ATOM 0 HB VAL A 63 9.847 0.481 -13.862 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.042 -0.563 -15.799 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.475 0.111 -16.304 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.979 0.990 -16.664 1.00 0.00 H new ATOM 0 HG21 VAL A 63 12.313 0.475 -13.948 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.287 2.026 -14.819 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.696 1.937 -13.143 1.00 0.00 H new ATOM 963 N ALA A 64 7.979 1.995 -16.607 1.00 0.00 N ATOM 964 CA ALA A 64 6.652 1.599 -17.132 1.00 0.00 C ATOM 965 C ALA A 64 6.790 0.324 -17.960 1.00 0.00 C ATOM 966 O ALA A 64 7.474 0.297 -18.963 1.00 0.00 O ATOM 967 CB ALA A 64 6.182 2.764 -18.000 1.00 0.00 C ATOM 0 H ALA A 64 8.675 2.244 -17.309 1.00 0.00 H new ATOM 0 HA ALA A 64 5.937 1.393 -16.335 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.203 2.533 -18.420 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.113 3.666 -17.392 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.894 2.926 -18.809 1.00 0.00 H new ATOM 973 N TYR A 65 6.151 -0.735 -17.546 1.00 0.00 N ATOM 974 CA TYR A 65 6.256 -2.009 -18.310 1.00 0.00 C ATOM 975 C TYR A 65 4.911 -2.359 -18.948 1.00 0.00 C ATOM 976 O TYR A 65 3.861 -2.150 -18.371 1.00 0.00 O ATOM 977 CB TYR A 65 6.653 -3.065 -17.279 1.00 0.00 C ATOM 978 CG TYR A 65 7.376 -4.192 -17.974 1.00 0.00 C ATOM 979 CD1 TYR A 65 6.672 -5.058 -18.820 1.00 0.00 C ATOM 980 CD2 TYR A 65 8.749 -4.372 -17.774 1.00 0.00 C ATOM 981 CE1 TYR A 65 7.342 -6.104 -19.465 1.00 0.00 C ATOM 982 CE2 TYR A 65 9.419 -5.418 -18.419 1.00 0.00 C ATOM 983 CZ TYR A 65 8.716 -6.284 -19.264 1.00 0.00 C ATOM 984 OH TYR A 65 9.378 -7.315 -19.899 1.00 0.00 O ATOM 0 H TYR A 65 5.562 -0.773 -16.714 1.00 0.00 H new ATOM 0 HA TYR A 65 6.982 -1.941 -19.120 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.293 -2.622 -16.516 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.767 -3.445 -16.770 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.612 -4.919 -18.975 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.292 -3.704 -17.122 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.799 -6.772 -20.117 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.479 -5.557 -18.264 1.00 0.00 H new ATOM 0 HH TYR A 65 10.326 -7.297 -19.651 1.00 0.00 H new ATOM 994 N TYR A 66 4.938 -2.892 -20.137 1.00 0.00 N ATOM 995 CA TYR A 66 3.666 -3.262 -20.821 1.00 0.00 C ATOM 996 C TYR A 66 3.969 -3.971 -22.145 1.00 0.00 C ATOM 997 O TYR A 66 5.110 -4.221 -22.480 1.00 0.00 O ATOM 998 CB TYR A 66 2.913 -1.946 -21.062 1.00 0.00 C ATOM 999 CG TYR A 66 3.850 -0.888 -21.601 1.00 0.00 C ATOM 1000 CD1 TYR A 66 4.423 -1.040 -22.867 1.00 0.00 C ATOM 1001 CD2 TYR A 66 4.141 0.243 -20.830 1.00 0.00 C ATOM 1002 CE1 TYR A 66 5.289 -0.060 -23.364 1.00 0.00 C ATOM 1003 CE2 TYR A 66 5.008 1.223 -21.326 1.00 0.00 C ATOM 1004 CZ TYR A 66 5.581 1.072 -22.594 1.00 0.00 C ATOM 1005 OH TYR A 66 6.436 2.038 -23.083 1.00 0.00 O ATOM 0 H TYR A 66 5.787 -3.088 -20.667 1.00 0.00 H new ATOM 0 HA TYR A 66 3.068 -3.948 -20.221 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.098 -2.111 -21.767 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.464 -1.602 -20.130 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.197 -1.913 -23.461 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.697 0.359 -19.853 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.732 -0.177 -24.342 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.235 2.095 -20.731 1.00 0.00 H new ATOM 0 HH TYR A 66 6.618 2.699 -22.383 1.00 0.00 H new ATOM 1015 N ARG A 67 2.955 -4.312 -22.893 1.00 0.00 N ATOM 1016 CA ARG A 67 3.182 -5.021 -24.187 1.00 0.00 C ATOM 1017 C ARG A 67 4.146 -4.240 -25.086 1.00 0.00 C ATOM 1018 O ARG A 67 3.884 -3.118 -25.473 1.00 0.00 O ATOM 1019 CB ARG A 67 1.803 -5.105 -24.836 1.00 0.00 C ATOM 1020 CG ARG A 67 1.737 -6.351 -25.718 1.00 0.00 C ATOM 1021 CD ARG A 67 0.323 -6.506 -26.276 1.00 0.00 C ATOM 1022 NE ARG A 67 -0.348 -7.475 -25.365 1.00 0.00 N ATOM 1023 CZ ARG A 67 -1.311 -8.234 -25.811 1.00 0.00 C ATOM 1024 NH1 ARG A 67 -2.043 -7.839 -26.819 1.00 0.00 N ATOM 1025 NH2 ARG A 67 -1.544 -9.388 -25.250 1.00 0.00 N ATOM 0 H ARG A 67 1.978 -4.130 -22.664 1.00 0.00 H new ATOM 0 HA ARG A 67 3.632 -6.002 -24.034 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.029 -5.146 -24.069 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.614 -4.212 -25.432 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.455 -6.270 -26.534 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.010 -7.234 -25.140 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.202 -5.551 -26.292 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.342 -6.876 -27.301 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.054 -7.545 -24.391 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.862 -6.936 -27.258 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.795 -8.433 -27.167 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.974 -9.697 -24.463 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.297 -9.982 -25.598 1.00 0.00 H new ATOM 1039 N GLY A 68 5.255 -4.838 -25.435 1.00 0.00 N ATOM 1040 CA GLY A 68 6.235 -4.149 -26.325 1.00 0.00 C ATOM 1041 C GLY A 68 7.092 -3.173 -25.515 1.00 0.00 C ATOM 1042 O GLY A 68 7.378 -2.077 -25.953 1.00 0.00 O ATOM 0 H GLY A 68 5.525 -5.777 -25.141 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.873 -4.885 -26.814 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.707 -3.612 -27.113 1.00 0.00 H new ATOM 1046 N LEU A 69 7.507 -3.557 -24.340 1.00 0.00 N ATOM 1047 CA LEU A 69 8.347 -2.642 -23.516 1.00 0.00 C ATOM 1048 C LEU A 69 9.726 -3.264 -23.273 1.00 0.00 C ATOM 1049 O LEU A 69 9.894 -4.467 -23.323 1.00 0.00 O ATOM 1050 CB LEU A 69 7.562 -2.472 -22.207 1.00 0.00 C ATOM 1051 CG LEU A 69 8.036 -1.244 -21.401 1.00 0.00 C ATOM 1052 CD1 LEU A 69 9.302 -1.595 -20.622 1.00 0.00 C ATOM 1053 CD2 LEU A 69 8.315 -0.042 -22.317 1.00 0.00 C ATOM 0 H LEU A 69 7.302 -4.461 -23.915 1.00 0.00 H new ATOM 0 HA LEU A 69 8.531 -1.683 -23.999 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.500 -2.370 -22.432 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.674 -3.370 -21.599 1.00 0.00 H new ATOM 0 HG LEU A 69 7.238 -0.968 -20.711 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.633 -0.725 -20.055 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.092 -2.417 -19.937 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.086 -1.894 -21.318 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.647 0.804 -21.716 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.092 -0.304 -23.035 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.404 0.227 -22.851 1.00 0.00 H new ATOM 1065 N ASP A 70 10.715 -2.452 -23.021 1.00 0.00 N ATOM 1066 CA ASP A 70 12.090 -2.987 -22.784 1.00 0.00 C ATOM 1067 C ASP A 70 12.332 -3.190 -21.292 1.00 0.00 C ATOM 1068 O ASP A 70 11.803 -2.474 -20.467 1.00 0.00 O ATOM 1069 CB ASP A 70 13.051 -1.924 -23.312 1.00 0.00 C ATOM 1070 CG ASP A 70 12.645 -1.499 -24.727 1.00 0.00 C ATOM 1071 OD1 ASP A 70 11.725 -0.707 -24.843 1.00 0.00 O ATOM 1072 OD2 ASP A 70 13.260 -1.973 -25.666 1.00 0.00 O ATOM 0 H ASP A 70 10.632 -1.437 -22.968 1.00 0.00 H new ATOM 0 HA ASP A 70 12.228 -3.948 -23.279 1.00 0.00 H new ATOM 0 HB2 ASP A 70 13.047 -1.059 -22.649 1.00 0.00 H new ATOM 0 HB3 ASP A 70 14.068 -2.315 -23.320 1.00 0.00 H new ATOM 1077 N VAL A 71 13.138 -4.147 -20.934 1.00 0.00 N ATOM 1078 CA VAL A 71 13.408 -4.365 -19.490 1.00 0.00 C ATOM 1079 C VAL A 71 14.085 -3.125 -18.907 1.00 0.00 C ATOM 1080 O VAL A 71 15.218 -2.814 -19.220 1.00 0.00 O ATOM 1081 CB VAL A 71 14.359 -5.558 -19.448 1.00 0.00 C ATOM 1082 CG1 VAL A 71 13.656 -6.794 -20.012 1.00 0.00 C ATOM 1083 CG2 VAL A 71 15.590 -5.239 -20.296 1.00 0.00 C ATOM 0 H VAL A 71 13.617 -4.782 -21.572 1.00 0.00 H new ATOM 0 HA VAL A 71 12.501 -4.546 -18.912 1.00 0.00 H new ATOM 0 HB VAL A 71 14.659 -5.755 -18.419 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.336 -7.645 -19.981 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.772 -7.014 -19.414 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.358 -6.604 -21.043 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.277 -6.085 -20.273 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.284 -5.048 -21.324 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.089 -4.356 -19.896 1.00 0.00 H new ATOM 1093 N SER A 72 13.390 -2.411 -18.072 1.00 0.00 N ATOM 1094 CA SER A 72 13.973 -1.176 -17.467 1.00 0.00 C ATOM 1095 C SER A 72 13.743 -1.144 -15.950 1.00 0.00 C ATOM 1096 O SER A 72 14.432 -0.454 -15.226 1.00 0.00 O ATOM 1097 CB SER A 72 13.220 -0.029 -18.135 1.00 0.00 C ATOM 1098 OG SER A 72 13.499 -0.031 -19.531 1.00 0.00 O ATOM 0 H SER A 72 12.437 -2.627 -17.778 1.00 0.00 H new ATOM 0 HA SER A 72 15.051 -1.119 -17.619 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.148 -0.136 -17.967 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.519 0.922 -17.694 1.00 0.00 H new ATOM 0 HG SER A 72 13.005 -0.759 -19.962 1.00 0.00 H new ATOM 1104 N VAL A 73 12.781 -1.880 -15.462 1.00 0.00 N ATOM 1105 CA VAL A 73 12.516 -1.879 -13.998 1.00 0.00 C ATOM 1106 C VAL A 73 13.728 -2.452 -13.258 1.00 0.00 C ATOM 1107 O VAL A 73 14.211 -3.521 -13.577 1.00 0.00 O ATOM 1108 CB VAL A 73 11.299 -2.784 -13.814 1.00 0.00 C ATOM 1109 CG1 VAL A 73 10.907 -2.812 -12.338 1.00 0.00 C ATOM 1110 CG2 VAL A 73 10.109 -2.280 -14.651 1.00 0.00 C ATOM 0 H VAL A 73 12.169 -2.480 -16.014 1.00 0.00 H new ATOM 0 HA VAL A 73 12.337 -0.878 -13.605 1.00 0.00 H new ATOM 0 HB VAL A 73 11.558 -3.788 -14.151 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.039 -3.457 -12.204 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.739 -3.196 -11.748 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.663 -1.802 -12.007 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.255 -2.941 -14.503 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.845 -1.270 -14.337 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.384 -2.272 -15.706 1.00 0.00 H new ATOM 1120 N ILE A 74 14.231 -1.752 -12.277 1.00 0.00 N ATOM 1121 CA ILE A 74 15.419 -2.269 -11.532 1.00 0.00 C ATOM 1122 C ILE A 74 15.244 -2.076 -10.019 1.00 0.00 C ATOM 1123 O ILE A 74 15.499 -1.012 -9.496 1.00 0.00 O ATOM 1124 CB ILE A 74 16.656 -1.486 -12.040 1.00 0.00 C ATOM 1125 CG1 ILE A 74 16.306 -0.047 -12.478 1.00 0.00 C ATOM 1126 CG2 ILE A 74 17.253 -2.227 -13.236 1.00 0.00 C ATOM 1127 CD1 ILE A 74 16.117 0.846 -11.250 1.00 0.00 C ATOM 0 H ILE A 74 13.875 -0.850 -11.960 1.00 0.00 H new ATOM 0 HA ILE A 74 15.540 -3.338 -11.706 1.00 0.00 H new ATOM 0 HB ILE A 74 17.365 -1.421 -11.215 1.00 0.00 H new ATOM 0 HG12 ILE A 74 17.100 0.353 -13.109 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.395 -0.052 -13.077 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.125 -1.685 -13.602 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.552 -3.230 -12.931 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.509 -2.296 -14.030 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.871 1.858 -11.571 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.307 0.453 -10.635 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.038 0.864 -10.668 1.00 0.00 H new ATOM 1188 N ASP A 79 15.002 3.541 -4.280 1.00 0.00 N ATOM 1189 CA ASP A 79 13.522 3.367 -4.272 1.00 0.00 C ATOM 1190 C ASP A 79 12.976 3.449 -5.693 1.00 0.00 C ATOM 1191 O ASP A 79 12.959 4.492 -6.314 1.00 0.00 O ATOM 1192 CB ASP A 79 12.983 4.513 -3.415 1.00 0.00 C ATOM 1193 CG ASP A 79 13.669 4.495 -2.048 1.00 0.00 C ATOM 1194 OD1 ASP A 79 14.857 4.769 -2.000 1.00 0.00 O ATOM 1195 OD2 ASP A 79 12.997 4.205 -1.073 1.00 0.00 O ATOM 0 HA ASP A 79 13.224 2.397 -3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.162 5.467 -3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.904 4.414 -3.294 1.00 0.00 H new ATOM 1200 N VAL A 80 12.538 2.339 -6.203 1.00 0.00 N ATOM 1201 CA VAL A 80 11.994 2.303 -7.581 1.00 0.00 C ATOM 1202 C VAL A 80 10.519 1.914 -7.569 1.00 0.00 C ATOM 1203 O VAL A 80 10.104 0.985 -6.907 1.00 0.00 O ATOM 1204 CB VAL A 80 12.809 1.240 -8.305 1.00 0.00 C ATOM 1205 CG1 VAL A 80 12.719 -0.078 -7.534 1.00 0.00 C ATOM 1206 CG2 VAL A 80 12.259 1.043 -9.720 1.00 0.00 C ATOM 0 H VAL A 80 12.534 1.442 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 80 12.062 3.277 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 80 13.850 1.559 -8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.301 -0.842 -8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.114 0.062 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.678 -0.394 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.845 0.282 -10.235 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.218 0.724 -9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.322 1.983 -10.269 1.00 0.00 H new ATOM 1216 N VAL A 81 9.739 2.607 -8.322 1.00 0.00 N ATOM 1217 CA VAL A 81 8.285 2.282 -8.401 1.00 0.00 C ATOM 1218 C VAL A 81 7.971 1.774 -9.808 1.00 0.00 C ATOM 1219 O VAL A 81 8.242 2.432 -10.788 1.00 0.00 O ATOM 1220 CB VAL A 81 7.545 3.586 -8.084 1.00 0.00 C ATOM 1221 CG1 VAL A 81 7.676 3.891 -6.591 1.00 0.00 C ATOM 1222 CG2 VAL A 81 8.151 4.735 -8.882 1.00 0.00 C ATOM 0 H VAL A 81 10.037 3.395 -8.897 1.00 0.00 H new ATOM 0 HA VAL A 81 7.982 1.503 -7.702 1.00 0.00 H new ATOM 0 HB VAL A 81 6.494 3.475 -8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.151 4.818 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.241 3.075 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.730 3.997 -6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.620 5.658 -8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.203 4.846 -8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.064 4.523 -9.948 1.00 0.00 H new ATOM 1232 N VAL A 82 7.436 0.597 -9.924 1.00 0.00 N ATOM 1233 CA VAL A 82 7.153 0.047 -11.280 1.00 0.00 C ATOM 1234 C VAL A 82 5.691 0.283 -11.659 1.00 0.00 C ATOM 1235 O VAL A 82 4.786 -0.198 -11.009 1.00 0.00 O ATOM 1236 CB VAL A 82 7.445 -1.457 -11.166 1.00 0.00 C ATOM 1237 CG1 VAL A 82 7.567 -2.053 -12.567 1.00 0.00 C ATOM 1238 CG2 VAL A 82 8.760 -1.689 -10.402 1.00 0.00 C ATOM 0 H VAL A 82 7.182 -0.009 -9.144 1.00 0.00 H new ATOM 0 HA VAL A 82 7.757 0.524 -12.051 1.00 0.00 H new ATOM 0 HB VAL A 82 6.630 -1.937 -10.624 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.774 -3.120 -12.492 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.634 -1.902 -13.109 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.380 -1.562 -13.102 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.954 -2.759 -10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.580 -1.207 -10.934 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.679 -1.266 -9.401 1.00 0.00 H new ATOM 1248 N VAL A 83 5.447 1.017 -12.715 1.00 0.00 N ATOM 1249 CA VAL A 83 4.036 1.266 -13.123 1.00 0.00 C ATOM 1250 C VAL A 83 3.751 0.502 -14.422 1.00 0.00 C ATOM 1251 O VAL A 83 4.135 0.900 -15.498 1.00 0.00 O ATOM 1252 CB VAL A 83 3.907 2.798 -13.287 1.00 0.00 C ATOM 1253 CG1 VAL A 83 4.552 3.496 -12.086 1.00 0.00 C ATOM 1254 CG2 VAL A 83 4.605 3.280 -14.564 1.00 0.00 C ATOM 0 H VAL A 83 6.157 1.450 -13.305 1.00 0.00 H new ATOM 0 HA VAL A 83 3.307 0.916 -12.392 1.00 0.00 H new ATOM 0 HB VAL A 83 2.847 3.042 -13.350 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.461 4.576 -12.201 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.048 3.185 -11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.606 3.224 -12.030 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.497 4.361 -14.652 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.663 3.023 -14.519 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.151 2.799 -15.430 1.00 0.00 H new ATOM 1264 N ALA A 84 3.107 -0.622 -14.324 1.00 0.00 N ATOM 1265 CA ALA A 84 2.847 -1.426 -15.549 1.00 0.00 C ATOM 1266 C ALA A 84 1.455 -2.060 -15.515 1.00 0.00 C ATOM 1267 O ALA A 84 0.816 -2.141 -14.485 1.00 0.00 O ATOM 1268 CB ALA A 84 3.939 -2.500 -15.533 1.00 0.00 C ATOM 0 H ALA A 84 2.750 -1.019 -13.455 1.00 0.00 H new ATOM 0 HA ALA A 84 2.870 -0.818 -16.453 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.828 -3.145 -16.404 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.919 -2.023 -15.558 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.849 -3.097 -14.626 1.00 0.00 H new ATOM 1274 N THR A 85 0.983 -2.510 -16.646 1.00 0.00 N ATOM 1275 CA THR A 85 -0.363 -3.146 -16.695 1.00 0.00 C ATOM 1276 C THR A 85 -0.218 -4.659 -16.483 1.00 0.00 C ATOM 1277 O THR A 85 0.581 -5.103 -15.682 1.00 0.00 O ATOM 1278 CB THR A 85 -0.894 -2.828 -18.097 1.00 0.00 C ATOM 1279 OG1 THR A 85 -2.229 -3.301 -18.214 1.00 0.00 O ATOM 1280 CG2 THR A 85 -0.016 -3.507 -19.152 1.00 0.00 C ATOM 0 H THR A 85 1.473 -2.464 -17.539 1.00 0.00 H new ATOM 0 HA THR A 85 -1.040 -2.781 -15.922 1.00 0.00 H new ATOM 0 HB THR A 85 -0.873 -1.750 -18.254 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.571 -3.097 -19.110 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.399 -3.277 -20.146 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.007 -3.142 -19.064 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.031 -4.586 -18.998 1.00 0.00 H new ATOM 1288 N ASP A 86 -0.972 -5.459 -17.190 1.00 0.00 N ATOM 1289 CA ASP A 86 -0.850 -6.936 -17.014 1.00 0.00 C ATOM 1290 C ASP A 86 0.292 -7.480 -17.877 1.00 0.00 C ATOM 1291 O ASP A 86 0.114 -8.406 -18.642 1.00 0.00 O ATOM 1292 CB ASP A 86 -2.189 -7.503 -17.484 1.00 0.00 C ATOM 1293 CG ASP A 86 -2.429 -7.104 -18.940 1.00 0.00 C ATOM 1294 OD1 ASP A 86 -1.949 -7.808 -19.814 1.00 0.00 O ATOM 1295 OD2 ASP A 86 -3.089 -6.102 -19.158 1.00 0.00 O ATOM 0 H ASP A 86 -1.662 -5.156 -17.877 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.629 -7.211 -15.983 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.190 -8.589 -17.389 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.996 -7.127 -16.855 1.00 0.00 H new ATOM 1300 N ALA A 87 1.462 -6.909 -17.766 1.00 0.00 N ATOM 1301 CA ALA A 87 2.605 -7.399 -18.591 1.00 0.00 C ATOM 1302 C ALA A 87 3.778 -7.828 -17.702 1.00 0.00 C ATOM 1303 O ALA A 87 4.642 -8.570 -18.126 1.00 0.00 O ATOM 1304 CB ALA A 87 3.004 -6.209 -19.460 1.00 0.00 C ATOM 0 H ALA A 87 1.675 -6.129 -17.144 1.00 0.00 H new ATOM 0 HA ALA A 87 2.331 -8.271 -19.184 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.842 -6.489 -20.098 1.00 0.00 H new ATOM 0 HB2 ALA A 87 2.159 -5.912 -20.081 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.297 -5.375 -18.822 1.00 0.00 H new ATOM 1310 N LEU A 88 3.820 -7.377 -16.477 1.00 0.00 N ATOM 1311 CA LEU A 88 4.947 -7.777 -15.586 1.00 0.00 C ATOM 1312 C LEU A 88 4.922 -9.292 -15.378 1.00 0.00 C ATOM 1313 O LEU A 88 5.938 -9.913 -15.133 1.00 0.00 O ATOM 1314 CB LEU A 88 4.702 -7.043 -14.264 1.00 0.00 C ATOM 1315 CG LEU A 88 6.016 -6.427 -13.776 1.00 0.00 C ATOM 1316 CD1 LEU A 88 6.287 -5.130 -14.541 1.00 0.00 C ATOM 1317 CD2 LEU A 88 5.916 -6.121 -12.277 1.00 0.00 C ATOM 0 H LEU A 88 3.129 -6.754 -16.058 1.00 0.00 H new ATOM 0 HA LEU A 88 5.920 -7.523 -16.005 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.951 -6.265 -14.401 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.312 -7.735 -13.517 1.00 0.00 H new ATOM 0 HG LEU A 88 6.830 -7.131 -13.949 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.222 -4.691 -14.194 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.361 -5.345 -15.607 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.471 -4.428 -14.368 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.852 -5.683 -11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.101 -5.419 -12.103 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.724 -7.044 -11.729 1.00 0.00 H new ATOM 1408 N ASP A 95 7.568 -8.528 -3.711 1.00 0.00 N ATOM 1409 CA ASP A 95 8.307 -7.749 -2.678 1.00 0.00 C ATOM 1410 C ASP A 95 7.996 -6.256 -2.812 1.00 0.00 C ATOM 1411 O ASP A 95 8.879 -5.444 -3.004 1.00 0.00 O ATOM 1412 CB ASP A 95 9.785 -8.017 -2.961 1.00 0.00 C ATOM 1413 CG ASP A 95 10.578 -7.929 -1.656 1.00 0.00 C ATOM 1414 OD1 ASP A 95 11.031 -6.843 -1.335 1.00 0.00 O ATOM 1415 OD2 ASP A 95 10.716 -8.948 -1.001 1.00 0.00 O ATOM 0 HA ASP A 95 8.026 -8.039 -1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.908 -9.004 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.166 -7.292 -3.680 1.00 0.00 H new ATOM 1420 N PHE A 96 6.747 -5.885 -2.700 1.00 0.00 N ATOM 1421 CA PHE A 96 6.392 -4.440 -2.810 1.00 0.00 C ATOM 1422 C PHE A 96 5.738 -3.960 -1.520 1.00 0.00 C ATOM 1423 O PHE A 96 5.123 -4.722 -0.800 1.00 0.00 O ATOM 1424 CB PHE A 96 5.400 -4.336 -3.968 1.00 0.00 C ATOM 1425 CG PHE A 96 6.138 -4.456 -5.280 1.00 0.00 C ATOM 1426 CD1 PHE A 96 6.544 -5.712 -5.745 1.00 0.00 C ATOM 1427 CD2 PHE A 96 6.418 -3.308 -6.030 1.00 0.00 C ATOM 1428 CE1 PHE A 96 7.229 -5.819 -6.962 1.00 0.00 C ATOM 1429 CE2 PHE A 96 7.103 -3.415 -7.245 1.00 0.00 C ATOM 1430 CZ PHE A 96 7.508 -4.670 -7.712 1.00 0.00 C ATOM 0 H PHE A 96 5.962 -6.516 -2.538 1.00 0.00 H new ATOM 0 HA PHE A 96 7.275 -3.825 -2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.649 -5.122 -3.888 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.871 -3.384 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.329 -6.598 -5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.105 -2.339 -5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.542 -6.788 -7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.319 -2.528 -7.823 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.036 -4.753 -8.651 1.00 0.00 H new ATOM 1440 N ASP A 97 5.854 -2.699 -1.229 1.00 0.00 N ATOM 1441 CA ASP A 97 5.229 -2.164 0.006 1.00 0.00 C ATOM 1442 C ASP A 97 3.764 -1.818 -0.271 1.00 0.00 C ATOM 1443 O ASP A 97 2.927 -1.870 0.607 1.00 0.00 O ATOM 1444 CB ASP A 97 6.032 -0.903 0.334 1.00 0.00 C ATOM 1445 CG ASP A 97 7.204 -1.267 1.247 1.00 0.00 C ATOM 1446 OD1 ASP A 97 8.034 -2.056 0.826 1.00 0.00 O ATOM 1447 OD2 ASP A 97 7.252 -0.749 2.352 1.00 0.00 O ATOM 0 H ASP A 97 6.356 -2.014 -1.794 1.00 0.00 H new ATOM 0 HA ASP A 97 5.241 -2.876 0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.401 -0.445 -0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.392 -0.168 0.822 1.00 0.00 H new ATOM 1452 N SER A 98 3.448 -1.463 -1.489 1.00 0.00 N ATOM 1453 CA SER A 98 2.032 -1.113 -1.814 1.00 0.00 C ATOM 1454 C SER A 98 1.782 -1.165 -3.326 1.00 0.00 C ATOM 1455 O SER A 98 2.702 -1.157 -4.120 1.00 0.00 O ATOM 1456 CB SER A 98 1.843 0.305 -1.289 1.00 0.00 C ATOM 1457 OG SER A 98 2.289 1.235 -2.267 1.00 0.00 O ATOM 0 H SER A 98 4.103 -1.400 -2.268 1.00 0.00 H new ATOM 0 HA SER A 98 1.331 -1.816 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.793 0.481 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.402 0.439 -0.363 1.00 0.00 H new ATOM 0 HG SER A 98 2.465 2.099 -1.840 1.00 0.00 H new ATOM 1463 N VAL A 99 0.537 -1.205 -3.726 1.00 0.00 N ATOM 1464 CA VAL A 99 0.212 -1.240 -5.189 1.00 0.00 C ATOM 1465 C VAL A 99 -0.862 -0.196 -5.515 1.00 0.00 C ATOM 1466 O VAL A 99 -1.924 -0.180 -4.927 1.00 0.00 O ATOM 1467 CB VAL A 99 -0.321 -2.655 -5.520 1.00 0.00 C ATOM 1468 CG1 VAL A 99 0.771 -3.457 -6.220 1.00 0.00 C ATOM 1469 CG2 VAL A 99 -0.765 -3.410 -4.257 1.00 0.00 C ATOM 0 H VAL A 99 -0.271 -1.215 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 99 1.101 -1.015 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.189 -2.539 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.397 -4.454 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.059 -2.952 -7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.639 -3.539 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.132 -4.398 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.082 -3.515 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.560 -2.853 -3.761 1.00 0.00 H new ATOM 1479 N ILE A 100 -0.598 0.666 -6.459 1.00 0.00 N ATOM 1480 CA ILE A 100 -1.608 1.698 -6.836 1.00 0.00 C ATOM 1481 C ILE A 100 -2.289 1.276 -8.145 1.00 0.00 C ATOM 1482 O ILE A 100 -1.669 1.226 -9.189 1.00 0.00 O ATOM 1483 CB ILE A 100 -0.799 2.991 -7.010 1.00 0.00 C ATOM 1484 CG1 ILE A 100 -0.352 3.490 -5.635 1.00 0.00 C ATOM 1485 CG2 ILE A 100 -1.660 4.070 -7.680 1.00 0.00 C ATOM 1486 CD1 ILE A 100 1.067 2.997 -5.349 1.00 0.00 C ATOM 0 H ILE A 100 0.274 0.701 -6.987 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.397 1.827 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 100 0.069 2.787 -7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.383 4.579 -5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.035 3.130 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.074 4.982 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.986 3.719 -8.659 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.532 4.276 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.385 3.353 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.083 1.907 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.746 3.379 -6.112 1.00 0.00 H new ATOM 1498 N ASP A 101 -3.553 0.942 -8.091 1.00 0.00 N ATOM 1499 CA ASP A 101 -4.259 0.490 -9.329 1.00 0.00 C ATOM 1500 C ASP A 101 -5.412 1.419 -9.697 1.00 0.00 C ATOM 1501 O ASP A 101 -5.910 2.174 -8.886 1.00 0.00 O ATOM 1502 CB ASP A 101 -4.821 -0.887 -8.986 1.00 0.00 C ATOM 1503 CG ASP A 101 -4.866 -1.750 -10.249 1.00 0.00 C ATOM 1504 OD1 ASP A 101 -5.424 -1.295 -11.233 1.00 0.00 O ATOM 1505 OD2 ASP A 101 -4.342 -2.850 -10.208 1.00 0.00 O ATOM 0 H ASP A 101 -4.125 0.962 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.577 0.481 -10.179 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.201 -1.366 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.821 -0.788 -8.564 1.00 0.00 H new ATOM 1510 N CYS A 102 -5.854 1.338 -10.920 1.00 0.00 N ATOM 1511 CA CYS A 102 -6.997 2.180 -11.366 1.00 0.00 C ATOM 1512 C CYS A 102 -8.276 1.327 -11.433 1.00 0.00 C ATOM 1513 O CYS A 102 -9.296 1.761 -11.932 1.00 0.00 O ATOM 1514 CB CYS A 102 -6.594 2.682 -12.756 1.00 0.00 C ATOM 1515 SG CYS A 102 -6.413 1.281 -13.891 1.00 0.00 S ATOM 0 H CYS A 102 -5.469 0.720 -11.635 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.206 3.007 -10.687 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -7.347 3.373 -13.135 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.657 3.235 -12.695 1.00 0.00 H new ATOM 0 HG CYS A 102 -7.542 1.067 -14.499 1.00 0.00 H new ATOM 1521 N ASN A 103 -8.229 0.114 -10.932 1.00 0.00 N ATOM 1522 CA ASN A 103 -9.437 -0.768 -10.963 1.00 0.00 C ATOM 1523 C ASN A 103 -10.104 -0.758 -12.343 1.00 0.00 C ATOM 1524 O ASN A 103 -11.283 -1.017 -12.471 1.00 0.00 O ATOM 1525 CB ASN A 103 -10.383 -0.190 -9.912 1.00 0.00 C ATOM 1526 CG ASN A 103 -10.112 -0.855 -8.562 1.00 0.00 C ATOM 1527 OD1 ASN A 103 -8.979 -1.136 -8.228 1.00 0.00 O ATOM 1528 ND2 ASN A 103 -11.112 -1.121 -7.767 1.00 0.00 N ATOM 0 H ASN A 103 -7.403 -0.303 -10.502 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.174 -1.806 -10.759 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.242 0.888 -9.833 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.419 -0.355 -10.209 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.942 -1.565 -6.865 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -12.064 -0.885 -8.048 1.00 0.00 H new ATOM 1535 N THR A 104 -9.365 -0.469 -13.376 1.00 0.00 N ATOM 1536 CA THR A 104 -9.971 -0.456 -14.737 1.00 0.00 C ATOM 1537 C THR A 104 -8.948 -0.905 -15.782 1.00 0.00 C ATOM 1538 O THR A 104 -7.803 -0.500 -15.760 1.00 0.00 O ATOM 1539 CB THR A 104 -10.383 0.994 -14.974 1.00 0.00 C ATOM 1540 OG1 THR A 104 -9.425 1.862 -14.384 1.00 0.00 O ATOM 1541 CG2 THR A 104 -11.754 1.237 -14.346 1.00 0.00 C ATOM 0 H THR A 104 -8.371 -0.242 -13.338 1.00 0.00 H new ATOM 0 HA THR A 104 -10.818 -1.137 -14.816 1.00 0.00 H new ATOM 0 HB THR A 104 -10.434 1.191 -16.045 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.708 2.091 -13.474 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.052 2.272 -14.513 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.486 0.570 -14.802 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.703 1.042 -13.275 1.00 0.00 H new ATOM 1615 N GLN A 110 -12.261 -3.145 -14.023 1.00 0.00 N ATOM 1616 CA GLN A 110 -11.470 -4.378 -13.748 1.00 0.00 C ATOM 1617 C GLN A 110 -12.392 -5.566 -13.465 1.00 0.00 C ATOM 1618 O GLN A 110 -13.501 -5.410 -12.992 1.00 0.00 O ATOM 1619 CB GLN A 110 -10.635 -4.042 -12.510 1.00 0.00 C ATOM 1620 CG GLN A 110 -11.559 -3.768 -11.318 1.00 0.00 C ATOM 1621 CD GLN A 110 -10.756 -3.851 -10.020 1.00 0.00 C ATOM 1622 OE1 GLN A 110 -9.596 -4.212 -10.031 1.00 0.00 O ATOM 1623 NE2 GLN A 110 -11.328 -3.529 -8.891 1.00 0.00 N ATOM 0 HA GLN A 110 -10.852 -4.662 -14.599 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.963 -4.868 -12.278 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.012 -3.170 -12.706 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.012 -2.781 -11.415 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -12.373 -4.493 -11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.302 -3.226 -8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -10.801 -3.581 -8.019 1.00 0.00 H new ATOM 1632 N ASP A 111 -11.932 -6.755 -13.740 1.00 0.00 N ATOM 1633 CA ASP A 111 -12.768 -7.964 -13.474 1.00 0.00 C ATOM 1634 C ASP A 111 -12.443 -8.522 -12.083 1.00 0.00 C ATOM 1635 O ASP A 111 -11.423 -8.209 -11.502 1.00 0.00 O ATOM 1636 CB ASP A 111 -12.422 -8.976 -14.576 1.00 0.00 C ATOM 1637 CG ASP A 111 -10.906 -9.143 -14.692 1.00 0.00 C ATOM 1638 OD1 ASP A 111 -10.329 -9.739 -13.804 1.00 0.00 O ATOM 1639 OD2 ASP A 111 -10.349 -8.669 -15.669 1.00 0.00 O ATOM 0 H ASP A 111 -11.012 -6.944 -14.138 1.00 0.00 H new ATOM 0 HA ASP A 111 -13.834 -7.736 -13.486 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -12.884 -9.938 -14.353 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -12.831 -8.639 -15.529 1.00 0.00 H new ATOM 1644 N ALA A 112 -13.318 -9.323 -11.537 1.00 0.00 N ATOM 1645 CA ALA A 112 -13.093 -9.888 -10.168 1.00 0.00 C ATOM 1646 C ALA A 112 -11.646 -10.365 -9.964 1.00 0.00 C ATOM 1647 O ALA A 112 -11.002 -10.013 -8.996 1.00 0.00 O ATOM 1648 CB ALA A 112 -14.057 -11.069 -10.072 1.00 0.00 C ATOM 0 H ALA A 112 -14.188 -9.615 -11.982 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.264 -9.133 -9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.957 -11.542 -9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -15.080 -10.715 -10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.823 -11.794 -10.852 1.00 0.00 H new ATOM 1654 N VAL A 113 -11.134 -11.176 -10.846 1.00 0.00 N ATOM 1655 CA VAL A 113 -9.741 -11.678 -10.662 1.00 0.00 C ATOM 1656 C VAL A 113 -8.712 -10.559 -10.865 1.00 0.00 C ATOM 1657 O VAL A 113 -7.639 -10.590 -10.300 1.00 0.00 O ATOM 1658 CB VAL A 113 -9.554 -12.784 -11.699 1.00 0.00 C ATOM 1659 CG1 VAL A 113 -10.684 -13.808 -11.568 1.00 0.00 C ATOM 1660 CG2 VAL A 113 -9.576 -12.185 -13.101 1.00 0.00 C ATOM 0 H VAL A 113 -11.614 -11.512 -11.681 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.589 -12.049 -9.648 1.00 0.00 H new ATOM 0 HB VAL A 113 -8.596 -13.274 -11.529 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.549 -14.596 -12.309 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.667 -14.243 -10.569 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.642 -13.316 -11.733 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -9.442 -12.977 -13.837 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.532 -11.690 -13.270 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.769 -11.459 -13.199 1.00 0.00 H new ATOM 1670 N SER A 114 -9.019 -9.583 -11.680 1.00 0.00 N ATOM 1671 CA SER A 114 -8.041 -8.476 -11.929 1.00 0.00 C ATOM 1672 C SER A 114 -7.472 -7.956 -10.608 1.00 0.00 C ATOM 1673 O SER A 114 -6.276 -7.957 -10.397 1.00 0.00 O ATOM 1674 CB SER A 114 -8.846 -7.383 -12.621 1.00 0.00 C ATOM 1675 OG SER A 114 -8.151 -6.950 -13.784 1.00 0.00 O ATOM 0 H SER A 114 -9.902 -9.503 -12.184 1.00 0.00 H new ATOM 0 HA SER A 114 -7.195 -8.809 -12.531 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.833 -7.759 -12.892 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.000 -6.544 -11.942 1.00 0.00 H new ATOM 0 HG SER A 114 -8.668 -6.248 -14.232 1.00 0.00 H new ATOM 1681 N ARG A 115 -8.315 -7.534 -9.705 1.00 0.00 N ATOM 1682 CA ARG A 115 -7.801 -7.044 -8.400 1.00 0.00 C ATOM 1683 C ARG A 115 -7.213 -8.224 -7.633 1.00 0.00 C ATOM 1684 O ARG A 115 -6.228 -8.094 -6.938 1.00 0.00 O ATOM 1685 CB ARG A 115 -9.002 -6.450 -7.666 1.00 0.00 C ATOM 1686 CG ARG A 115 -10.047 -7.536 -7.409 1.00 0.00 C ATOM 1687 CD ARG A 115 -11.438 -6.899 -7.309 1.00 0.00 C ATOM 1688 NE ARG A 115 -11.310 -5.832 -6.274 1.00 0.00 N ATOM 1689 CZ ARG A 115 -12.166 -5.770 -5.292 1.00 0.00 C ATOM 1690 NH1 ARG A 115 -13.349 -5.253 -5.489 1.00 0.00 N ATOM 1691 NH2 ARG A 115 -11.842 -6.222 -4.112 1.00 0.00 N ATOM 0 H ARG A 115 -9.329 -7.508 -9.815 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.018 -6.294 -8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.681 -6.012 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.439 -5.646 -8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -10.029 -8.270 -8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -9.813 -8.069 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.749 -6.482 -8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.188 -7.636 -7.023 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.553 -5.151 -6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -13.603 -4.898 -6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -14.019 -5.204 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -10.918 -6.625 -3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -12.513 -6.173 -3.345 1.00 0.00 H new ATOM 1705 N THR A 116 -7.793 -9.386 -7.772 1.00 0.00 N ATOM 1706 CA THR A 116 -7.234 -10.568 -7.067 1.00 0.00 C ATOM 1707 C THR A 116 -5.799 -10.782 -7.546 1.00 0.00 C ATOM 1708 O THR A 116 -4.880 -10.912 -6.762 1.00 0.00 O ATOM 1709 CB THR A 116 -8.120 -11.743 -7.483 1.00 0.00 C ATOM 1710 OG1 THR A 116 -9.453 -11.497 -7.064 1.00 0.00 O ATOM 1711 CG2 THR A 116 -7.606 -13.028 -6.834 1.00 0.00 C ATOM 0 H THR A 116 -8.622 -9.564 -8.339 1.00 0.00 H new ATOM 0 HA THR A 116 -7.217 -10.453 -5.983 1.00 0.00 H new ATOM 0 HB THR A 116 -8.094 -11.853 -8.567 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.930 -11.005 -7.764 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.239 -13.864 -7.132 1.00 0.00 H new ATOM 0 HG22 THR A 116 -6.582 -13.215 -7.158 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.630 -12.923 -5.749 1.00 0.00 H new ATOM 1719 N GLN A 117 -5.604 -10.800 -8.839 1.00 0.00 N ATOM 1720 CA GLN A 117 -4.231 -10.983 -9.385 1.00 0.00 C ATOM 1721 C GLN A 117 -3.418 -9.698 -9.193 1.00 0.00 C ATOM 1722 O GLN A 117 -2.234 -9.737 -8.926 1.00 0.00 O ATOM 1723 CB GLN A 117 -4.434 -11.275 -10.872 1.00 0.00 C ATOM 1724 CG GLN A 117 -3.100 -11.681 -11.500 1.00 0.00 C ATOM 1725 CD GLN A 117 -3.166 -13.143 -11.943 1.00 0.00 C ATOM 1726 OE1 GLN A 117 -3.504 -14.012 -11.164 1.00 0.00 O ATOM 1727 NE2 GLN A 117 -2.855 -13.454 -13.173 1.00 0.00 N ATOM 0 H GLN A 117 -6.338 -10.696 -9.539 1.00 0.00 H new ATOM 0 HA GLN A 117 -3.686 -11.784 -8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -5.166 -12.073 -11.000 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -4.832 -10.394 -11.375 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -2.879 -11.041 -12.354 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -2.292 -11.544 -10.782 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.571 -12.725 -13.827 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.896 -14.426 -13.479 1.00 0.00 H new ATOM 1736 N ARG A 118 -4.044 -8.556 -9.333 1.00 0.00 N ATOM 1737 CA ARG A 118 -3.299 -7.273 -9.163 1.00 0.00 C ATOM 1738 C ARG A 118 -2.944 -7.050 -7.690 1.00 0.00 C ATOM 1739 O ARG A 118 -1.835 -6.678 -7.361 1.00 0.00 O ATOM 1740 CB ARG A 118 -4.261 -6.190 -9.652 1.00 0.00 C ATOM 1741 CG ARG A 118 -4.281 -6.179 -11.182 1.00 0.00 C ATOM 1742 CD ARG A 118 -5.248 -5.100 -11.673 1.00 0.00 C ATOM 1743 NE ARG A 118 -5.853 -5.662 -12.913 1.00 0.00 N ATOM 1744 CZ ARG A 118 -5.837 -4.970 -14.020 1.00 0.00 C ATOM 1745 NH1 ARG A 118 -4.751 -4.920 -14.742 1.00 0.00 N ATOM 1746 NH2 ARG A 118 -6.908 -4.330 -14.406 1.00 0.00 N ATOM 0 H ARG A 118 -5.034 -8.458 -9.557 1.00 0.00 H new ATOM 0 HA ARG A 118 -2.360 -7.268 -9.716 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -5.263 -6.377 -9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -3.951 -5.216 -9.275 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -3.280 -5.988 -11.568 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -4.587 -7.155 -11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.010 -4.883 -10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -4.726 -4.165 -11.877 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.280 -6.588 -12.897 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.915 -5.421 -14.441 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.738 -4.380 -15.607 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.757 -4.371 -13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.895 -3.789 -15.271 1.00 0.00 H new ATOM 1760 N ARG A 119 -3.870 -7.278 -6.800 1.00 0.00 N ATOM 1761 CA ARG A 119 -3.571 -7.081 -5.352 1.00 0.00 C ATOM 1762 C ARG A 119 -2.400 -7.973 -4.936 1.00 0.00 C ATOM 1763 O ARG A 119 -1.519 -7.559 -4.208 1.00 0.00 O ATOM 1764 CB ARG A 119 -4.848 -7.498 -4.621 1.00 0.00 C ATOM 1765 CG ARG A 119 -4.614 -7.444 -3.111 1.00 0.00 C ATOM 1766 CD ARG A 119 -4.884 -8.823 -2.503 1.00 0.00 C ATOM 1767 NE ARG A 119 -3.655 -9.617 -2.780 1.00 0.00 N ATOM 1768 CZ ARG A 119 -3.756 -10.869 -3.136 1.00 0.00 C ATOM 1769 NH1 ARG A 119 -4.307 -11.181 -4.277 1.00 0.00 N ATOM 1770 NH2 ARG A 119 -3.307 -11.810 -2.350 1.00 0.00 N ATOM 0 H ARG A 119 -4.818 -7.591 -7.011 1.00 0.00 H new ATOM 0 HA ARG A 119 -3.290 -6.053 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -5.669 -6.836 -4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -5.137 -8.506 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.589 -7.137 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.269 -6.700 -2.657 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.074 -8.751 -1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.762 -9.287 -2.952 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.736 -9.183 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -4.659 -10.447 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -4.386 -12.159 -4.555 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.877 -11.567 -1.457 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.386 -12.788 -2.629 1.00 0.00 H new ATOM 1784 N GLY A 120 -2.385 -9.195 -5.395 1.00 0.00 N ATOM 1785 CA GLY A 120 -1.273 -10.118 -5.028 1.00 0.00 C ATOM 1786 C GLY A 120 0.066 -9.513 -5.456 1.00 0.00 C ATOM 1787 O GLY A 120 0.546 -9.741 -6.549 1.00 0.00 O ATOM 0 H GLY A 120 -3.095 -9.594 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.275 -10.295 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -1.416 -11.085 -5.511 1.00 0.00 H new ATOM 1791 N ARG A 121 0.669 -8.748 -4.594 1.00 0.00 N ATOM 1792 CA ARG A 121 1.980 -8.118 -4.916 1.00 0.00 C ATOM 1793 C ARG A 121 2.552 -7.503 -3.640 1.00 0.00 C ATOM 1794 O ARG A 121 3.715 -7.655 -3.325 1.00 0.00 O ATOM 1795 CB ARG A 121 1.669 -7.035 -5.949 1.00 0.00 C ATOM 1796 CG ARG A 121 2.771 -7.009 -7.010 1.00 0.00 C ATOM 1797 CD ARG A 121 2.567 -8.168 -7.989 1.00 0.00 C ATOM 1798 NE ARG A 121 1.314 -7.833 -8.721 1.00 0.00 N ATOM 1799 CZ ARG A 121 1.012 -8.468 -9.821 1.00 0.00 C ATOM 1800 NH1 ARG A 121 1.576 -8.126 -10.947 1.00 0.00 N ATOM 1801 NH2 ARG A 121 0.143 -9.442 -9.794 1.00 0.00 N ATOM 0 H ARG A 121 0.306 -8.528 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 121 2.711 -8.828 -5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.704 -7.230 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 121 1.596 -6.063 -5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.752 -6.060 -7.545 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.749 -7.088 -6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.411 -8.262 -8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.476 -9.118 -7.463 1.00 0.00 H new ATOM 0 HE ARG A 121 0.692 -7.108 -8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.252 -7.363 -10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.340 -8.622 -11.807 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.300 -9.706 -8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.093 -9.939 -10.653 1.00 0.00 H new ATOM 1815 N THR A 122 1.724 -6.830 -2.892 1.00 0.00 N ATOM 1816 CA THR A 122 2.187 -6.221 -1.615 1.00 0.00 C ATOM 1817 C THR A 122 1.720 -7.099 -0.452 1.00 0.00 C ATOM 1818 O THR A 122 0.575 -7.486 -0.390 1.00 0.00 O ATOM 1819 CB THR A 122 1.518 -4.838 -1.561 1.00 0.00 C ATOM 1820 OG1 THR A 122 2.060 -4.088 -0.489 1.00 0.00 O ATOM 1821 CG2 THR A 122 0.006 -4.986 -1.386 1.00 0.00 C ATOM 0 H THR A 122 0.740 -6.675 -3.112 1.00 0.00 H new ATOM 0 HA THR A 122 3.272 -6.135 -1.550 1.00 0.00 H new ATOM 0 HB THR A 122 1.709 -4.315 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.927 -4.466 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 122 -0.454 -3.999 -1.349 1.00 0.00 H new ATOM 0 HG22 THR A 122 -0.404 -5.547 -2.226 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.202 -5.518 -0.458 1.00 0.00 H new ATOM 1829 N GLY A 123 2.580 -7.413 0.472 1.00 0.00 N ATOM 1830 CA GLY A 123 2.136 -8.260 1.615 1.00 0.00 C ATOM 1831 C GLY A 123 3.088 -9.443 1.819 1.00 0.00 C ATOM 1832 O GLY A 123 2.814 -10.331 2.603 1.00 0.00 O ATOM 0 H GLY A 123 3.559 -7.126 0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 123 2.095 -7.660 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 123 1.127 -8.628 1.430 1.00 0.00 H new ATOM 1836 N ARG A 124 4.195 -9.477 1.130 1.00 0.00 N ATOM 1837 CA ARG A 124 5.136 -10.623 1.309 1.00 0.00 C ATOM 1838 C ARG A 124 6.071 -10.362 2.495 1.00 0.00 C ATOM 1839 O ARG A 124 7.189 -9.913 2.335 1.00 0.00 O ATOM 1840 CB ARG A 124 5.921 -10.710 -0.002 1.00 0.00 C ATOM 1841 CG ARG A 124 4.948 -10.787 -1.184 1.00 0.00 C ATOM 1842 CD ARG A 124 4.007 -11.984 -1.010 1.00 0.00 C ATOM 1843 NE ARG A 124 3.025 -11.865 -2.122 1.00 0.00 N ATOM 1844 CZ ARG A 124 2.423 -12.930 -2.577 1.00 0.00 C ATOM 1845 NH1 ARG A 124 3.111 -14.006 -2.845 1.00 0.00 N ATOM 1846 NH2 ARG A 124 1.130 -12.919 -2.763 1.00 0.00 N ATOM 0 H ARG A 124 4.489 -8.769 0.457 1.00 0.00 H new ATOM 0 HA ARG A 124 4.614 -11.556 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 124 6.568 -9.839 -0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.567 -11.588 0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.369 -9.866 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 124 5.503 -10.883 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.552 -12.926 -1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.510 -11.958 -0.040 1.00 0.00 H new ATOM 0 HE ARG A 124 2.823 -10.952 -2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.120 -14.015 -2.699 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.639 -14.838 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.592 -12.079 -2.553 1.00 0.00 H new ATOM 0 HH22 ARG A 124 0.659 -13.751 -3.119 1.00 0.00 H new ATOM 1860 N GLY A 125 5.611 -10.636 3.686 1.00 0.00 N ATOM 1861 CA GLY A 125 6.452 -10.404 4.895 1.00 0.00 C ATOM 1862 C GLY A 125 5.764 -9.363 5.775 1.00 0.00 C ATOM 1863 O GLY A 125 5.541 -9.568 6.952 1.00 0.00 O ATOM 0 H GLY A 125 4.682 -11.013 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 125 6.587 -11.335 5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 125 7.444 -10.058 4.605 1.00 0.00 H new ATOM 1867 N LYS A 126 5.415 -8.249 5.199 1.00 0.00 N ATOM 1868 CA LYS A 126 4.727 -7.178 5.968 1.00 0.00 C ATOM 1869 C LYS A 126 3.319 -6.974 5.404 1.00 0.00 C ATOM 1870 O LYS A 126 2.951 -7.620 4.449 1.00 0.00 O ATOM 1871 CB LYS A 126 5.579 -5.933 5.733 1.00 0.00 C ATOM 1872 CG LYS A 126 6.354 -5.611 7.003 1.00 0.00 C ATOM 1873 CD LYS A 126 7.760 -5.129 6.639 1.00 0.00 C ATOM 1874 CE LYS A 126 8.700 -6.332 6.535 1.00 0.00 C ATOM 1875 NZ LYS A 126 10.066 -5.744 6.456 1.00 0.00 N ATOM 0 H LYS A 126 5.579 -8.032 4.216 1.00 0.00 H new ATOM 0 HA LYS A 126 4.624 -7.411 7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 126 6.268 -6.100 4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.945 -5.091 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.832 -4.843 7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.415 -6.495 7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 126 7.737 -4.589 5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.125 -4.433 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 126 8.601 -6.987 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.477 -6.933 5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 10.769 -6.507 6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 10.132 -5.131 5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 10.252 -5.183 7.312 1.00 0.00 H new ATOM 1889 N PRO A 127 2.578 -6.076 5.998 1.00 0.00 N ATOM 1890 CA PRO A 127 1.209 -5.798 5.508 1.00 0.00 C ATOM 1891 C PRO A 127 1.286 -4.924 4.252 1.00 0.00 C ATOM 1892 O PRO A 127 1.641 -3.764 4.318 1.00 0.00 O ATOM 1893 CB PRO A 127 0.560 -5.042 6.664 1.00 0.00 C ATOM 1894 CG PRO A 127 1.696 -4.415 7.414 1.00 0.00 C ATOM 1895 CD PRO A 127 2.928 -5.252 7.163 1.00 0.00 C ATOM 0 HA PRO A 127 0.649 -6.692 5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -0.135 -4.286 6.299 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -0.010 -5.716 7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 127 1.855 -3.390 7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 127 1.473 -4.372 8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 127 3.798 -4.628 6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 127 3.172 -5.869 8.028 1.00 0.00 H new ATOM 1903 N GLY A 128 0.972 -5.468 3.106 1.00 0.00 N ATOM 1904 CA GLY A 128 1.052 -4.656 1.859 1.00 0.00 C ATOM 1905 C GLY A 128 -0.130 -3.689 1.780 1.00 0.00 C ATOM 1906 O GLY A 128 -1.131 -3.857 2.442 1.00 0.00 O ATOM 0 H GLY A 128 0.666 -6.433 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.989 -4.099 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 128 1.053 -5.312 0.989 1.00 0.00 H new ATOM 1910 N ILE A 129 -0.017 -2.679 0.962 1.00 0.00 N ATOM 1911 CA ILE A 129 -1.129 -1.697 0.818 1.00 0.00 C ATOM 1912 C ILE A 129 -1.616 -1.690 -0.633 1.00 0.00 C ATOM 1913 O ILE A 129 -0.836 -1.809 -1.557 1.00 0.00 O ATOM 1914 CB ILE A 129 -0.522 -0.343 1.199 1.00 0.00 C ATOM 1915 CG1 ILE A 129 -0.372 -0.278 2.720 1.00 0.00 C ATOM 1916 CG2 ILE A 129 -1.439 0.796 0.730 1.00 0.00 C ATOM 1917 CD1 ILE A 129 0.354 1.009 3.105 1.00 0.00 C ATOM 0 H ILE A 129 0.802 -2.491 0.384 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.987 -1.936 1.446 1.00 0.00 H new ATOM 0 HB ILE A 129 0.451 -0.235 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.353 -0.311 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 129 0.185 -1.144 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -0.999 1.754 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.555 0.748 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.415 0.696 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.461 1.056 4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 129 1.341 1.023 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.221 1.868 2.760 1.00 0.00 H new ATOM 1929 N TYR A 130 -2.894 -1.550 -0.843 1.00 0.00 N ATOM 1930 CA TYR A 130 -3.406 -1.536 -2.240 1.00 0.00 C ATOM 1931 C TYR A 130 -4.330 -0.336 -2.457 1.00 0.00 C ATOM 1932 O TYR A 130 -5.383 -0.230 -1.861 1.00 0.00 O ATOM 1933 CB TYR A 130 -4.162 -2.862 -2.390 1.00 0.00 C ATOM 1934 CG TYR A 130 -4.534 -3.118 -3.839 1.00 0.00 C ATOM 1935 CD1 TYR A 130 -3.701 -2.690 -4.885 1.00 0.00 C ATOM 1936 CD2 TYR A 130 -5.717 -3.805 -4.133 1.00 0.00 C ATOM 1937 CE1 TYR A 130 -4.056 -2.947 -6.214 1.00 0.00 C ATOM 1938 CE2 TYR A 130 -6.073 -4.061 -5.463 1.00 0.00 C ATOM 1939 CZ TYR A 130 -5.242 -3.633 -6.503 1.00 0.00 C ATOM 1940 OH TYR A 130 -5.592 -3.889 -7.814 1.00 0.00 O ATOM 0 H TYR A 130 -3.601 -1.446 -0.115 1.00 0.00 H new ATOM 0 HA TYR A 130 -2.610 -1.441 -2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -3.544 -3.680 -2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -5.064 -2.841 -1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -2.785 -2.162 -4.664 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -6.358 -4.139 -3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -3.415 -2.616 -7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -6.989 -4.589 -5.685 1.00 0.00 H new ATOM 0 HH TYR A 130 -4.914 -3.512 -8.413 1.00 0.00 H new ATOM 1950 N ARG A 131 -3.937 0.570 -3.312 1.00 0.00 N ATOM 1951 CA ARG A 131 -4.780 1.770 -3.578 1.00 0.00 C ATOM 1952 C ARG A 131 -5.505 1.611 -4.918 1.00 0.00 C ATOM 1953 O ARG A 131 -4.917 1.230 -5.910 1.00 0.00 O ATOM 1954 CB ARG A 131 -3.796 2.941 -3.643 1.00 0.00 C ATOM 1955 CG ARG A 131 -2.946 2.974 -2.371 1.00 0.00 C ATOM 1956 CD ARG A 131 -3.130 4.321 -1.669 1.00 0.00 C ATOM 1957 NE ARG A 131 -2.707 4.081 -0.261 1.00 0.00 N ATOM 1958 CZ ARG A 131 -2.392 5.089 0.505 1.00 0.00 C ATOM 1959 NH1 ARG A 131 -2.965 6.248 0.329 1.00 0.00 N ATOM 1960 NH2 ARG A 131 -1.503 4.937 1.448 1.00 0.00 N ATOM 0 H ARG A 131 -3.065 0.530 -3.839 1.00 0.00 H new ATOM 0 HA ARG A 131 -5.542 1.919 -2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.154 2.840 -4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -4.340 3.879 -3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -3.238 2.162 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -1.896 2.821 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -2.523 5.096 -2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -4.167 4.654 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 131 -2.664 3.129 0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -3.660 6.367 -0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -2.718 7.035 0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -1.055 4.031 1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -1.256 5.724 2.048 1.00 0.00 H new ATOM 1974 N PHE A 132 -6.776 1.902 -4.957 1.00 0.00 N ATOM 1975 CA PHE A 132 -7.533 1.766 -6.236 1.00 0.00 C ATOM 1976 C PHE A 132 -8.267 3.072 -6.558 1.00 0.00 C ATOM 1977 O PHE A 132 -8.623 3.828 -5.676 1.00 0.00 O ATOM 1978 CB PHE A 132 -8.537 0.633 -5.997 1.00 0.00 C ATOM 1979 CG PHE A 132 -9.322 0.894 -4.731 1.00 0.00 C ATOM 1980 CD1 PHE A 132 -10.259 1.936 -4.686 1.00 0.00 C ATOM 1981 CD2 PHE A 132 -9.111 0.093 -3.603 1.00 0.00 C ATOM 1982 CE1 PHE A 132 -10.983 2.172 -3.510 1.00 0.00 C ATOM 1983 CE2 PHE A 132 -9.835 0.331 -2.429 1.00 0.00 C ATOM 1984 CZ PHE A 132 -10.771 1.371 -2.382 1.00 0.00 C ATOM 0 H PHE A 132 -7.324 2.228 -4.160 1.00 0.00 H new ATOM 0 HA PHE A 132 -6.875 1.552 -7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.216 0.553 -6.846 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.012 -0.319 -5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.422 2.555 -5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.389 -0.709 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.706 2.973 -3.474 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.672 -0.288 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 132 -11.329 1.555 -1.476 1.00 0.00 H new ATOM 1994 N VAL A 133 -8.503 3.340 -7.815 1.00 0.00 N ATOM 1995 CA VAL A 133 -9.223 4.593 -8.189 1.00 0.00 C ATOM 1996 C VAL A 133 -10.727 4.427 -7.931 1.00 0.00 C ATOM 1997 O VAL A 133 -11.369 5.288 -7.364 1.00 0.00 O ATOM 1998 CB VAL A 133 -8.938 4.781 -9.690 1.00 0.00 C ATOM 1999 CG1 VAL A 133 -9.920 5.791 -10.297 1.00 0.00 C ATOM 2000 CG2 VAL A 133 -7.510 5.301 -9.876 1.00 0.00 C ATOM 0 H VAL A 133 -8.229 2.747 -8.598 1.00 0.00 H new ATOM 0 HA VAL A 133 -8.897 5.455 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 133 -9.056 3.821 -10.192 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -9.706 5.914 -11.359 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -10.940 5.427 -10.172 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -9.813 6.751 -9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.307 5.435 -10.939 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.401 6.256 -9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -6.804 4.583 -9.459 1.00 0.00 H new