USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 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 58 ASN : amide:sc=-0.00977 X(o=-2.2,f=-2.1) USER MOD Set 1.2: A 76 GLN : amide:sc= -2.16! C(o=-2.2!,f=-7.2!) USER MOD Set 2.1: A 51 THR OG1 : rot -26:sc= 1.76 USER MOD Set 2.2: A 52 HIS : no HE2:sc= 1.05 K(o=2.8,f=-7.7!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.65 X(o=-2.7,f=-3.1!) USER MOD Single : A 16 CYS SG : rot 66:sc= 1.07 USER MOD Single : A 19 SER OG : rot -179:sc= -0.791 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 30 SER OG : rot -45:sc= 1.12 USER MOD Single : A 31 MET CE :methyl -141:sc= -0.15 (180deg=-3.89!) USER MOD Single : A 34 MET CE :methyl -153:sc= 0 (180deg=-0.0285) USER MOD Single : A 35 THR OG1 : rot 69:sc= 0.408 USER MOD Single : A 37 MET CE :methyl 165:sc= -0.184 (180deg=-0.766) USER MOD Single : A 38 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 104:sc= -0.741 USER MOD Single : A 59 THR OG1 : rot -24:sc= 0.619 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00459) USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= -0.753 (180deg=-2.28!) USER MOD Single : A 75 LYS NZ :NH3+ -135:sc= 0.801 (180deg=-3.64!) USER MOD Single : A 82 SER OG : rot 87:sc= 0.465 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl -140:sc= -2.89! (180deg=-4.08!) USER MOD Single : A 92 THR OG1 : rot -16:sc= 1.1 USER MOD Single : A 93 MET CE :methyl 169:sc= -0.38 (180deg=-0.561) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 82:sc= 0.0249 USER MOD ----------------------------------------------------------------- ATOM 86 N LYS A 9 -2.068 18.538 -5.122 1.00 0.00 N ATOM 87 CA LYS A 9 -1.403 17.423 -4.458 1.00 0.00 C ATOM 88 C LYS A 9 -2.121 16.109 -4.750 1.00 0.00 C ATOM 89 O LYS A 9 -3.331 16.089 -4.981 1.00 0.00 O ATOM 90 CB LYS A 9 -1.349 17.661 -2.947 1.00 0.00 C ATOM 91 CG LYS A 9 -0.335 16.787 -2.230 1.00 0.00 C ATOM 92 CD LYS A 9 1.083 17.290 -2.441 1.00 0.00 C ATOM 93 CE LYS A 9 1.455 18.353 -1.419 1.00 0.00 C ATOM 94 NZ LYS A 9 2.931 18.487 -1.271 1.00 0.00 N ATOM 0 HA LYS A 9 -0.387 17.356 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.110 18.708 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.337 17.479 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.560 16.767 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.416 15.762 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.781 16.455 -2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.179 17.701 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.032 19.311 -1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.015 18.100 -0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.144 19.221 -0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.332 17.580 -0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.349 18.754 -2.185 1.00 0.00 H new ATOM 108 N VAL A 10 -1.369 15.014 -4.738 1.00 0.00 N ATOM 109 CA VAL A 10 -1.934 13.695 -4.999 1.00 0.00 C ATOM 110 C VAL A 10 -1.545 12.704 -3.909 1.00 0.00 C ATOM 111 O VAL A 10 -0.397 12.649 -3.467 1.00 0.00 O ATOM 112 CB VAL A 10 -1.474 13.147 -6.363 1.00 0.00 C ATOM 113 CG1 VAL A 10 -1.962 11.720 -6.558 1.00 0.00 C ATOM 114 CG2 VAL A 10 -1.963 14.045 -7.490 1.00 0.00 C ATOM 0 H VAL A 10 -0.366 15.014 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.018 13.812 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.384 13.138 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.627 11.350 -7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.558 11.086 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.051 11.699 -6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.629 13.643 -8.447 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.052 14.088 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.559 15.048 -7.357 1.00 0.00 H new ATOM 124 N PRO A 11 -2.522 11.901 -3.462 1.00 0.00 N ATOM 125 CA PRO A 11 -2.305 10.896 -2.418 1.00 0.00 C ATOM 126 C PRO A 11 -1.439 9.737 -2.899 1.00 0.00 C ATOM 127 O PRO A 11 -1.314 9.480 -4.097 1.00 0.00 O ATOM 128 CB PRO A 11 -3.720 10.408 -2.096 1.00 0.00 C ATOM 129 CG PRO A 11 -4.502 10.669 -3.337 1.00 0.00 C ATOM 130 CD PRO A 11 -3.914 11.912 -3.944 1.00 0.00 C ATOM 0 HA PRO A 11 -1.775 11.309 -1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.725 9.348 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.139 10.943 -1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.432 9.828 -4.026 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.559 10.808 -3.110 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.963 11.889 -5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.445 12.807 -3.620 1.00 0.00 H new ATOM 138 N PRO A 12 -0.826 9.019 -1.946 1.00 0.00 N ATOM 139 CA PRO A 12 0.038 7.875 -2.249 1.00 0.00 C ATOM 140 C PRO A 12 -0.746 6.681 -2.782 1.00 0.00 C ATOM 141 O PRO A 12 -0.164 5.702 -3.250 1.00 0.00 O ATOM 142 CB PRO A 12 0.671 7.540 -0.896 1.00 0.00 C ATOM 143 CG PRO A 12 -0.301 8.048 0.112 1.00 0.00 C ATOM 144 CD PRO A 12 -0.931 9.269 -0.499 1.00 0.00 C ATOM 0 HA PRO A 12 0.764 8.108 -3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.829 6.467 -0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.644 8.019 -0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.054 7.294 0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.200 8.294 1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.968 9.385 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.406 10.180 -0.209 1.00 0.00 H new ATOM 152 N PHE A 13 -2.070 6.768 -2.707 1.00 0.00 N ATOM 153 CA PHE A 13 -2.935 5.693 -3.181 1.00 0.00 C ATOM 154 C PHE A 13 -3.917 6.208 -4.229 1.00 0.00 C ATOM 155 O PHE A 13 -4.895 5.538 -4.559 1.00 0.00 O ATOM 156 CB PHE A 13 -3.699 5.071 -2.011 1.00 0.00 C ATOM 157 CG PHE A 13 -2.806 4.522 -0.936 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.660 3.816 -1.262 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.113 4.713 0.402 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.835 3.310 -0.275 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.292 4.210 1.394 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.153 3.506 1.055 1.00 0.00 C ATOM 0 H PHE A 13 -2.567 7.571 -2.323 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.307 4.930 -3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.357 5.823 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.335 4.270 -2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.408 3.659 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.004 5.261 0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.056 2.762 -0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.541 4.367 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.512 3.109 1.828 1.00 0.00 H new ATOM 172 N GLN A 14 -3.649 7.402 -4.747 1.00 0.00 N ATOM 173 CA GLN A 14 -4.510 8.008 -5.756 1.00 0.00 C ATOM 174 C GLN A 14 -4.997 6.963 -6.754 1.00 0.00 C ATOM 175 O GLN A 14 -4.196 6.263 -7.376 1.00 0.00 O ATOM 176 CB GLN A 14 -3.764 9.123 -6.491 1.00 0.00 C ATOM 177 CG GLN A 14 -4.643 9.918 -7.443 1.00 0.00 C ATOM 178 CD GLN A 14 -5.639 10.801 -6.719 1.00 0.00 C ATOM 179 OE1 GLN A 14 -6.564 10.311 -6.071 1.00 0.00 O ATOM 180 NE2 GLN A 14 -5.456 12.112 -6.825 1.00 0.00 N ATOM 0 H GLN A 14 -2.843 7.969 -4.485 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.377 8.433 -5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.329 9.803 -5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.937 8.687 -7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.013 10.536 -8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.181 9.230 -8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.676 12.475 -7.372 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.096 12.756 -6.359 1.00 0.00 H new ATOM 189 N ASP A 15 -6.313 6.862 -6.903 1.00 0.00 N ATOM 190 CA ASP A 15 -6.907 5.902 -7.826 1.00 0.00 C ATOM 191 C ASP A 15 -6.159 4.573 -7.785 1.00 0.00 C ATOM 192 O ASP A 15 -5.777 4.032 -8.823 1.00 0.00 O ATOM 193 CB ASP A 15 -6.900 6.461 -9.250 1.00 0.00 C ATOM 194 CG ASP A 15 -5.500 6.586 -9.817 1.00 0.00 C ATOM 195 OD1 ASP A 15 -4.778 7.522 -9.413 1.00 0.00 O ATOM 196 OD2 ASP A 15 -5.125 5.748 -10.664 1.00 0.00 O ATOM 0 H ASP A 15 -6.989 7.433 -6.396 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.937 5.728 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.493 5.812 -9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.379 7.440 -9.255 1.00 0.00 H new ATOM 201 N CYS A 16 -5.952 4.054 -6.580 1.00 0.00 N ATOM 202 CA CYS A 16 -5.247 2.789 -6.403 1.00 0.00 C ATOM 203 C CYS A 16 -5.959 1.909 -5.382 1.00 0.00 C ATOM 204 O CYS A 16 -6.131 2.296 -4.226 1.00 0.00 O ATOM 205 CB CYS A 16 -3.806 3.043 -5.959 1.00 0.00 C ATOM 206 SG CYS A 16 -2.780 3.854 -7.207 1.00 0.00 S ATOM 0 H CYS A 16 -6.262 4.489 -5.711 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.238 2.269 -7.361 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.818 3.657 -5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.347 2.092 -5.690 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.222 5.058 -7.416 1.00 0.00 H new ATOM 212 N ILE A 17 -6.373 0.723 -5.817 1.00 0.00 N ATOM 213 CA ILE A 17 -7.067 -0.212 -4.941 1.00 0.00 C ATOM 214 C ILE A 17 -6.102 -1.239 -4.357 1.00 0.00 C ATOM 215 O ILE A 17 -5.272 -1.803 -5.071 1.00 0.00 O ATOM 216 CB ILE A 17 -8.195 -0.950 -5.686 1.00 0.00 C ATOM 217 CG1 ILE A 17 -9.134 0.054 -6.358 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.966 -1.845 -4.727 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.797 -0.482 -7.607 1.00 0.00 C ATOM 0 H ILE A 17 -6.240 0.388 -6.771 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.501 0.376 -4.132 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.751 -1.577 -6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.904 0.351 -5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.571 0.952 -6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.760 -2.360 -5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.289 -2.579 -4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.402 -1.238 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.448 0.283 -8.030 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.034 -0.753 -8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.388 -1.363 -7.356 1.00 0.00 H new ATOM 231 N LEU A 18 -6.218 -1.478 -3.055 1.00 0.00 N ATOM 232 CA LEU A 18 -5.357 -2.438 -2.375 1.00 0.00 C ATOM 233 C LEU A 18 -6.165 -3.319 -1.427 1.00 0.00 C ATOM 234 O LEU A 18 -7.241 -2.932 -0.970 1.00 0.00 O ATOM 235 CB LEU A 18 -4.259 -1.709 -1.599 1.00 0.00 C ATOM 236 CG LEU A 18 -3.644 -0.491 -2.290 1.00 0.00 C ATOM 237 CD1 LEU A 18 -4.409 0.772 -1.927 1.00 0.00 C ATOM 238 CD2 LEU A 18 -2.175 -0.352 -1.919 1.00 0.00 C ATOM 0 H LEU A 18 -6.900 -1.020 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.898 -3.075 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.670 -1.389 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.462 -2.420 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.714 -0.636 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.957 1.628 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.447 0.673 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.372 0.922 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.754 0.520 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.082 -0.230 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.635 -1.246 -2.231 1.00 0.00 H new ATOM 250 N SER A 19 -5.639 -4.504 -1.135 1.00 0.00 N ATOM 251 CA SER A 19 -6.313 -5.440 -0.242 1.00 0.00 C ATOM 252 C SER A 19 -5.373 -5.909 0.864 1.00 0.00 C ATOM 253 O SER A 19 -4.158 -5.727 0.780 1.00 0.00 O ATOM 254 CB SER A 19 -6.832 -6.644 -1.030 1.00 0.00 C ATOM 255 OG SER A 19 -5.942 -6.991 -2.077 1.00 0.00 O ATOM 0 H SER A 19 -4.749 -4.839 -1.503 1.00 0.00 H new ATOM 0 HA SER A 19 -7.156 -4.923 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.959 -7.494 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.814 -6.416 -1.444 1.00 0.00 H new ATOM 0 HG SER A 19 -6.304 -7.754 -2.574 1.00 0.00 H new ATOM 261 N PHE A 20 -5.944 -6.514 1.900 1.00 0.00 N ATOM 262 CA PHE A 20 -5.158 -7.008 3.025 1.00 0.00 C ATOM 263 C PHE A 20 -5.572 -8.430 3.394 1.00 0.00 C ATOM 264 O PHE A 20 -6.726 -8.682 3.743 1.00 0.00 O ATOM 265 CB PHE A 20 -5.324 -6.087 4.235 1.00 0.00 C ATOM 266 CG PHE A 20 -5.181 -4.629 3.902 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.979 -4.127 3.428 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.248 -3.760 4.063 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.845 -2.786 3.121 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.120 -2.419 3.757 1.00 0.00 C ATOM 271 CZ PHE A 20 -4.916 -1.931 3.286 1.00 0.00 C ATOM 0 H PHE A 20 -6.948 -6.674 1.984 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.110 -7.018 2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.305 -6.256 4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.583 -6.354 4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.138 -4.791 3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.191 -4.135 4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.903 -2.407 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.960 -1.753 3.886 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.813 -0.883 3.047 1.00 0.00 H new ATOM 281 N LEU A 21 -4.622 -9.356 3.313 1.00 0.00 N ATOM 282 CA LEU A 21 -4.887 -10.753 3.637 1.00 0.00 C ATOM 283 C LEU A 21 -4.007 -11.220 4.792 1.00 0.00 C ATOM 284 O LEU A 21 -2.823 -10.891 4.857 1.00 0.00 O ATOM 285 CB LEU A 21 -4.648 -11.636 2.411 1.00 0.00 C ATOM 286 CG LEU A 21 -4.613 -13.143 2.666 1.00 0.00 C ATOM 287 CD1 LEU A 21 -6.016 -13.678 2.904 1.00 0.00 C ATOM 288 CD2 LEU A 21 -3.956 -13.866 1.498 1.00 0.00 C ATOM 0 H LEU A 21 -3.662 -9.164 3.026 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.930 -10.838 3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.431 -11.429 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.702 -11.343 1.956 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.020 -13.326 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.970 -14.752 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.452 -13.183 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.633 -13.483 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.940 -14.938 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.522 -13.674 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.935 -13.504 1.374 1.00 0.00 H new ATOM 300 N GLY A 22 -4.594 -11.990 5.703 1.00 0.00 N ATOM 301 CA GLY A 22 -3.848 -12.492 6.843 1.00 0.00 C ATOM 302 C GLY A 22 -4.213 -11.782 8.132 1.00 0.00 C ATOM 303 O GLY A 22 -4.445 -12.423 9.157 1.00 0.00 O ATOM 0 H GLY A 22 -5.573 -12.275 5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.035 -13.560 6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.781 -12.373 6.656 1.00 0.00 H new ATOM 307 N PHE A 23 -4.263 -10.455 8.082 1.00 0.00 N ATOM 308 CA PHE A 23 -4.599 -9.658 9.255 1.00 0.00 C ATOM 309 C PHE A 23 -6.007 -9.981 9.747 1.00 0.00 C ATOM 310 O PHE A 23 -6.805 -10.583 9.027 1.00 0.00 O ATOM 311 CB PHE A 23 -4.489 -8.166 8.934 1.00 0.00 C ATOM 312 CG PHE A 23 -3.258 -7.812 8.149 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.241 -7.933 6.769 1.00 0.00 C ATOM 314 CD2 PHE A 23 -2.117 -7.358 8.793 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.110 -7.607 6.045 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.984 -7.031 8.073 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.979 -7.156 6.698 1.00 0.00 C ATOM 0 H PHE A 23 -4.075 -9.909 7.241 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.891 -9.905 10.046 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.370 -7.857 8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.491 -7.601 9.866 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.122 -8.286 6.253 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.114 -7.259 9.868 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.110 -7.705 4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.102 -6.677 8.586 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.093 -6.902 6.134 1.00 0.00 H new ATOM 327 N SER A 24 -6.306 -9.576 10.977 1.00 0.00 N ATOM 328 CA SER A 24 -7.615 -9.826 11.567 1.00 0.00 C ATOM 329 C SER A 24 -8.609 -8.741 11.163 1.00 0.00 C ATOM 330 O SER A 24 -8.251 -7.777 10.486 1.00 0.00 O ATOM 331 CB SER A 24 -7.507 -9.892 13.092 1.00 0.00 C ATOM 332 OG SER A 24 -6.546 -10.853 13.494 1.00 0.00 O ATOM 0 H SER A 24 -5.659 -9.073 11.584 1.00 0.00 H new ATOM 0 HA SER A 24 -7.977 -10.784 11.194 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.232 -8.912 13.483 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.478 -10.144 13.518 1.00 0.00 H new ATOM 0 HG SER A 24 -6.495 -10.875 14.472 1.00 0.00 H new ATOM 338 N ASP A 25 -9.858 -8.905 11.584 1.00 0.00 N ATOM 339 CA ASP A 25 -10.905 -7.940 11.268 1.00 0.00 C ATOM 340 C ASP A 25 -10.585 -6.575 11.870 1.00 0.00 C ATOM 341 O ASP A 25 -10.807 -5.542 11.239 1.00 0.00 O ATOM 342 CB ASP A 25 -12.257 -8.435 11.784 1.00 0.00 C ATOM 343 CG ASP A 25 -12.870 -9.489 10.883 1.00 0.00 C ATOM 344 OD1 ASP A 25 -12.361 -10.630 10.872 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.859 -9.174 10.189 1.00 0.00 O ATOM 0 H ASP A 25 -10.171 -9.697 12.145 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.955 -7.836 10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.132 -8.846 12.786 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.941 -7.591 11.869 1.00 0.00 H new ATOM 350 N GLU A 26 -10.065 -6.581 13.093 1.00 0.00 N ATOM 351 CA GLU A 26 -9.717 -5.342 13.780 1.00 0.00 C ATOM 352 C GLU A 26 -8.480 -4.703 13.156 1.00 0.00 C ATOM 353 O GLU A 26 -8.438 -3.493 12.936 1.00 0.00 O ATOM 354 CB GLU A 26 -9.473 -5.609 15.266 1.00 0.00 C ATOM 355 CG GLU A 26 -8.306 -6.544 15.533 1.00 0.00 C ATOM 356 CD GLU A 26 -8.049 -6.749 17.014 1.00 0.00 C ATOM 357 OE1 GLU A 26 -9.024 -6.729 17.794 1.00 0.00 O ATOM 358 OE2 GLU A 26 -6.872 -6.929 17.392 1.00 0.00 O ATOM 0 H GLU A 26 -9.875 -7.428 13.628 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.553 -4.651 13.675 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.291 -4.661 15.772 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.376 -6.035 15.703 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.504 -7.509 15.066 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.408 -6.141 15.065 1.00 0.00 H new ATOM 365 N GLU A 27 -7.474 -5.526 12.875 1.00 0.00 N ATOM 366 CA GLU A 27 -6.235 -5.041 12.279 1.00 0.00 C ATOM 367 C GLU A 27 -6.470 -4.561 10.850 1.00 0.00 C ATOM 368 O GLU A 27 -5.878 -3.576 10.407 1.00 0.00 O ATOM 369 CB GLU A 27 -5.172 -6.142 12.290 1.00 0.00 C ATOM 370 CG GLU A 27 -4.322 -6.155 13.549 1.00 0.00 C ATOM 371 CD GLU A 27 -3.435 -4.930 13.666 1.00 0.00 C ATOM 372 OE1 GLU A 27 -2.322 -4.947 13.101 1.00 0.00 O ATOM 373 OE2 GLU A 27 -3.855 -3.955 14.324 1.00 0.00 O ATOM 0 H GLU A 27 -7.493 -6.531 13.050 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.882 -4.199 12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.662 -7.110 12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.522 -6.016 11.424 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.973 -6.213 14.422 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.701 -7.051 13.555 1.00 0.00 H new ATOM 380 N LYS A 28 -7.340 -5.264 10.131 1.00 0.00 N ATOM 381 CA LYS A 28 -7.656 -4.911 8.753 1.00 0.00 C ATOM 382 C LYS A 28 -8.490 -3.635 8.695 1.00 0.00 C ATOM 383 O LYS A 28 -8.148 -2.726 7.939 1.00 0.00 O ATOM 384 CB LYS A 28 -8.409 -6.056 8.071 1.00 0.00 C ATOM 385 CG LYS A 28 -8.422 -5.958 6.556 1.00 0.00 C ATOM 386 CD LYS A 28 -8.711 -7.304 5.913 1.00 0.00 C ATOM 387 CE LYS A 28 -10.204 -7.524 5.726 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.542 -8.970 5.608 1.00 0.00 N ATOM 0 H LYS A 28 -7.839 -6.082 10.481 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.718 -4.736 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.954 -7.003 8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.436 -6.071 8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.176 -5.235 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.459 -5.586 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.210 -7.362 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.300 -8.100 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.743 -7.093 6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.539 -6.999 4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.569 -9.077 5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.048 -9.376 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.246 -9.467 6.472 1.00 0.00 H new ATOM 402 N HIS A 29 -9.552 -3.593 9.486 1.00 0.00 N ATOM 403 CA HIS A 29 -10.418 -2.427 9.515 1.00 0.00 C ATOM 404 C HIS A 29 -9.570 -1.156 9.452 1.00 0.00 C ATOM 405 O HIS A 29 -9.745 -0.296 8.589 1.00 0.00 O ATOM 406 CB HIS A 29 -11.340 -2.465 10.736 1.00 0.00 C ATOM 407 CG HIS A 29 -12.603 -1.653 10.578 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.833 -2.082 11.044 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.813 -0.435 10.001 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.736 -1.155 10.755 1.00 0.00 C ATOM 411 NE2 HIS A 29 -14.101 -0.136 10.109 1.00 0.00 N ATOM 0 H HIS A 29 -9.832 -4.348 10.112 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.069 -2.431 8.641 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.610 -3.501 10.943 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.791 -2.099 11.604 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.059 0.182 9.535 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.789 -1.199 10.990 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.544 0.716 9.765 1.00 0.00 H new ATOM 419 N SER A 30 -8.637 -1.056 10.394 1.00 0.00 N ATOM 420 CA SER A 30 -7.750 0.099 10.472 1.00 0.00 C ATOM 421 C SER A 30 -7.032 0.322 9.145 1.00 0.00 C ATOM 422 O SER A 30 -6.760 1.458 8.757 1.00 0.00 O ATOM 423 CB SER A 30 -6.726 -0.093 11.593 1.00 0.00 C ATOM 424 OG SER A 30 -5.848 -1.167 11.303 1.00 0.00 O ATOM 0 H SER A 30 -8.476 -1.761 11.114 1.00 0.00 H new ATOM 0 HA SER A 30 -8.356 0.978 10.690 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.152 0.824 11.727 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.243 -0.285 12.533 1.00 0.00 H new ATOM 0 HG SER A 30 -6.365 -1.932 10.975 1.00 0.00 H new ATOM 430 N MET A 31 -6.727 -0.771 8.453 1.00 0.00 N ATOM 431 CA MET A 31 -6.041 -0.696 7.168 1.00 0.00 C ATOM 432 C MET A 31 -6.982 -0.193 6.078 1.00 0.00 C ATOM 433 O MET A 31 -6.597 0.623 5.242 1.00 0.00 O ATOM 434 CB MET A 31 -5.482 -2.067 6.783 1.00 0.00 C ATOM 435 CG MET A 31 -4.441 -2.594 7.756 1.00 0.00 C ATOM 436 SD MET A 31 -3.979 -4.305 7.420 1.00 0.00 S ATOM 437 CE MET A 31 -2.436 -4.072 6.542 1.00 0.00 C ATOM 0 H MET A 31 -6.944 -1.719 8.760 1.00 0.00 H new ATOM 0 HA MET A 31 -5.216 0.010 7.265 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.303 -2.781 6.721 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.039 -2.004 5.789 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.552 -1.965 7.707 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.828 -2.519 8.772 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.369 -4.793 5.727 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.397 -3.061 6.136 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.601 -4.220 7.227 1.00 0.00 H new ATOM 447 N GLU A 32 -8.217 -0.685 6.095 1.00 0.00 N ATOM 448 CA GLU A 32 -9.211 -0.285 5.106 1.00 0.00 C ATOM 449 C GLU A 32 -9.542 1.199 5.237 1.00 0.00 C ATOM 450 O GLU A 32 -9.499 1.942 4.257 1.00 0.00 O ATOM 451 CB GLU A 32 -10.485 -1.119 5.266 1.00 0.00 C ATOM 452 CG GLU A 32 -10.324 -2.565 4.830 1.00 0.00 C ATOM 453 CD GLU A 32 -11.652 -3.287 4.701 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.576 -2.971 5.480 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.767 -4.166 3.822 1.00 0.00 O ATOM 0 H GLU A 32 -8.553 -1.360 6.782 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.792 -0.460 4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.796 -1.096 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.285 -0.660 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.803 -2.596 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.698 -3.090 5.551 1.00 0.00 H new ATOM 462 N GLU A 33 -9.872 1.621 6.453 1.00 0.00 N ATOM 463 CA GLU A 33 -10.211 3.015 6.711 1.00 0.00 C ATOM 464 C GLU A 33 -9.083 3.941 6.265 1.00 0.00 C ATOM 465 O GLU A 33 -9.321 4.954 5.608 1.00 0.00 O ATOM 466 CB GLU A 33 -10.500 3.226 8.199 1.00 0.00 C ATOM 467 CG GLU A 33 -9.305 2.953 9.096 1.00 0.00 C ATOM 468 CD GLU A 33 -9.657 3.006 10.570 1.00 0.00 C ATOM 469 OE1 GLU A 33 -10.751 2.527 10.936 1.00 0.00 O ATOM 470 OE2 GLU A 33 -8.838 3.526 11.357 1.00 0.00 O ATOM 0 H GLU A 33 -9.912 1.018 7.275 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.105 3.257 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.833 4.252 8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.323 2.576 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.895 1.971 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.524 3.684 8.886 1.00 0.00 H new ATOM 477 N MET A 34 -7.855 3.585 6.628 1.00 0.00 N ATOM 478 CA MET A 34 -6.690 4.383 6.264 1.00 0.00 C ATOM 479 C MET A 34 -6.618 4.585 4.754 1.00 0.00 C ATOM 480 O MET A 34 -6.509 5.712 4.271 1.00 0.00 O ATOM 481 CB MET A 34 -5.409 3.711 6.762 1.00 0.00 C ATOM 482 CG MET A 34 -4.209 4.644 6.802 1.00 0.00 C ATOM 483 SD MET A 34 -4.169 5.661 8.290 1.00 0.00 S ATOM 484 CE MET A 34 -3.261 4.593 9.405 1.00 0.00 C ATOM 0 H MET A 34 -7.641 2.750 7.173 1.00 0.00 H new ATOM 0 HA MET A 34 -6.788 5.359 6.738 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.583 3.313 7.762 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.179 2.863 6.117 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.294 4.055 6.745 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.227 5.291 5.925 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.546 4.815 10.434 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.493 3.552 9.181 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.191 4.762 9.280 1.00 0.00 H new ATOM 494 N THR A 35 -6.680 3.484 4.011 1.00 0.00 N ATOM 495 CA THR A 35 -6.621 3.539 2.556 1.00 0.00 C ATOM 496 C THR A 35 -7.479 4.676 2.014 1.00 0.00 C ATOM 497 O THR A 35 -7.134 5.302 1.012 1.00 0.00 O ATOM 498 CB THR A 35 -7.086 2.214 1.924 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.192 1.157 2.289 1.00 0.00 O ATOM 500 CG2 THR A 35 -7.150 2.330 0.408 1.00 0.00 C ATOM 0 H THR A 35 -6.771 2.543 4.394 1.00 0.00 H new ATOM 0 HA THR A 35 -5.579 3.714 2.289 1.00 0.00 H new ATOM 0 HB THR A 35 -8.085 1.990 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.283 0.968 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.481 1.382 -0.016 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.853 3.116 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.162 2.576 0.020 1.00 0.00 H new ATOM 508 N GLU A 36 -8.597 4.938 2.682 1.00 0.00 N ATOM 509 CA GLU A 36 -9.505 6.001 2.266 1.00 0.00 C ATOM 510 C GLU A 36 -8.938 7.372 2.624 1.00 0.00 C ATOM 511 O GLU A 36 -8.579 8.156 1.746 1.00 0.00 O ATOM 512 CB GLU A 36 -10.876 5.818 2.919 1.00 0.00 C ATOM 513 CG GLU A 36 -11.823 4.947 2.111 1.00 0.00 C ATOM 514 CD GLU A 36 -13.277 5.168 2.481 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.743 6.323 2.392 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.949 4.185 2.859 1.00 0.00 O ATOM 0 H GLU A 36 -8.896 4.429 3.514 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.617 5.944 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.743 5.376 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.332 6.797 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.686 5.155 1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.568 3.899 2.266 1.00 0.00 H new ATOM 523 N MET A 37 -8.861 7.653 3.921 1.00 0.00 N ATOM 524 CA MET A 37 -8.338 8.929 4.396 1.00 0.00 C ATOM 525 C MET A 37 -7.116 9.350 3.587 1.00 0.00 C ATOM 526 O MET A 37 -6.959 10.523 3.249 1.00 0.00 O ATOM 527 CB MET A 37 -7.974 8.834 5.879 1.00 0.00 C ATOM 528 CG MET A 37 -6.574 8.295 6.129 1.00 0.00 C ATOM 529 SD MET A 37 -6.074 8.432 7.855 1.00 0.00 S ATOM 530 CE MET A 37 -7.553 7.853 8.683 1.00 0.00 C ATOM 0 H MET A 37 -9.154 7.015 4.661 1.00 0.00 H new ATOM 0 HA MET A 37 -9.115 9.683 4.267 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.059 9.823 6.330 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.697 8.191 6.382 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.532 7.249 5.825 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.864 8.837 5.505 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.322 7.625 9.724 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.319 8.627 8.643 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.919 6.954 8.187 1.00 0.00 H new ATOM 540 N GLN A 38 -6.253 8.387 3.280 1.00 0.00 N ATOM 541 CA GLN A 38 -5.045 8.660 2.511 1.00 0.00 C ATOM 542 C GLN A 38 -5.391 9.173 1.117 1.00 0.00 C ATOM 543 O GLN A 38 -4.899 10.216 0.688 1.00 0.00 O ATOM 544 CB GLN A 38 -4.187 7.399 2.405 1.00 0.00 C ATOM 545 CG GLN A 38 -3.545 6.987 3.720 1.00 0.00 C ATOM 546 CD GLN A 38 -2.844 8.138 4.413 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.229 8.986 3.765 1.00 0.00 O ATOM 548 NE2 GLN A 38 -2.934 8.175 5.737 1.00 0.00 N ATOM 0 H GLN A 38 -6.368 7.411 3.552 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.480 9.433 3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.805 6.579 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.405 7.563 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.310 6.581 4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.827 6.188 3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.454 7.451 6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.483 8.927 6.258 1.00 0.00 H new ATOM 557 N GLY A 39 -6.242 8.431 0.413 1.00 0.00 N ATOM 558 CA GLY A 39 -6.639 8.827 -0.925 1.00 0.00 C ATOM 559 C GLY A 39 -6.739 7.648 -1.873 1.00 0.00 C ATOM 560 O GLY A 39 -6.298 7.724 -3.019 1.00 0.00 O ATOM 0 H GLY A 39 -6.663 7.564 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.602 9.335 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.918 9.544 -1.317 1.00 0.00 H new ATOM 564 N GLY A 40 -7.320 6.552 -1.392 1.00 0.00 N ATOM 565 CA GLY A 40 -7.465 5.367 -2.217 1.00 0.00 C ATOM 566 C GLY A 40 -8.630 4.499 -1.786 1.00 0.00 C ATOM 567 O GLY A 40 -9.315 4.807 -0.811 1.00 0.00 O ATOM 0 H GLY A 40 -7.692 6.464 -0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.604 5.666 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.546 4.783 -2.174 1.00 0.00 H new ATOM 571 N SER A 41 -8.858 3.412 -2.516 1.00 0.00 N ATOM 572 CA SER A 41 -9.953 2.500 -2.207 1.00 0.00 C ATOM 573 C SER A 41 -9.422 1.116 -1.846 1.00 0.00 C ATOM 574 O SER A 41 -8.264 0.793 -2.115 1.00 0.00 O ATOM 575 CB SER A 41 -10.910 2.397 -3.396 1.00 0.00 C ATOM 576 OG SER A 41 -11.658 3.590 -3.553 1.00 0.00 O ATOM 0 H SER A 41 -8.299 3.141 -3.325 1.00 0.00 H new ATOM 0 HA SER A 41 -10.493 2.898 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.344 2.196 -4.306 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.588 1.556 -3.250 1.00 0.00 H new ATOM 0 HG SER A 41 -12.261 3.500 -4.320 1.00 0.00 H new ATOM 582 N TYR A 42 -10.276 0.302 -1.236 1.00 0.00 N ATOM 583 CA TYR A 42 -9.893 -1.047 -0.835 1.00 0.00 C ATOM 584 C TYR A 42 -10.958 -2.060 -1.246 1.00 0.00 C ATOM 585 O TYR A 42 -12.146 -1.871 -0.982 1.00 0.00 O ATOM 586 CB TYR A 42 -9.671 -1.109 0.677 1.00 0.00 C ATOM 587 CG TYR A 42 -10.856 -0.628 1.483 1.00 0.00 C ATOM 588 CD1 TYR A 42 -11.931 -1.468 1.743 1.00 0.00 C ATOM 589 CD2 TYR A 42 -10.899 0.667 1.986 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.016 -1.032 2.479 1.00 0.00 C ATOM 591 CE2 TYR A 42 -11.979 1.111 2.725 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.035 0.258 2.968 1.00 0.00 C ATOM 593 OH TYR A 42 -14.114 0.695 3.702 1.00 0.00 O ATOM 0 H TYR A 42 -11.238 0.552 -1.008 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.962 -1.299 -1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.442 -2.136 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.800 -0.506 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.919 -2.479 1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.074 1.338 1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.845 -1.697 2.671 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.996 2.120 3.110 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.970 1.626 3.973 1.00 0.00 H new ATOM 603 N LEU A 43 -10.523 -3.136 -1.893 1.00 0.00 N ATOM 604 CA LEU A 43 -11.437 -4.181 -2.340 1.00 0.00 C ATOM 605 C LEU A 43 -11.131 -5.505 -1.647 1.00 0.00 C ATOM 606 O LEU A 43 -10.026 -5.736 -1.158 1.00 0.00 O ATOM 607 CB LEU A 43 -11.343 -4.352 -3.857 1.00 0.00 C ATOM 608 CG LEU A 43 -12.147 -3.358 -4.696 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.718 -3.419 -6.153 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.638 -3.633 -4.565 1.00 0.00 C ATOM 0 H LEU A 43 -9.543 -3.307 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.451 -3.881 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.295 -4.277 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.672 -5.360 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.949 -2.353 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.301 -2.705 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.659 -3.172 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.885 -4.424 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.195 -2.916 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.853 -4.644 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.935 -3.536 -3.521 1.00 0.00 H new ATOM 622 N PRO A 44 -12.132 -6.397 -1.606 1.00 0.00 N ATOM 623 CA PRO A 44 -11.993 -7.714 -0.979 1.00 0.00 C ATOM 624 C PRO A 44 -11.072 -8.638 -1.768 1.00 0.00 C ATOM 625 O PRO A 44 -11.158 -8.718 -2.993 1.00 0.00 O ATOM 626 CB PRO A 44 -13.424 -8.259 -0.978 1.00 0.00 C ATOM 627 CG PRO A 44 -14.098 -7.555 -2.105 1.00 0.00 C ATOM 628 CD PRO A 44 -13.476 -6.188 -2.170 1.00 0.00 C ATOM 0 HA PRO A 44 -11.546 -7.648 0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.436 -9.339 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.924 -8.058 -0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.956 -8.093 -3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.173 -7.487 -1.936 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.429 -5.816 -3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.045 -5.460 -1.592 1.00 0.00 H new ATOM 636 N VAL A 45 -10.190 -9.335 -1.058 1.00 0.00 N ATOM 637 CA VAL A 45 -9.254 -10.255 -1.692 1.00 0.00 C ATOM 638 C VAL A 45 -9.952 -11.115 -2.739 1.00 0.00 C ATOM 639 O VAL A 45 -11.063 -11.596 -2.522 1.00 0.00 O ATOM 640 CB VAL A 45 -8.580 -11.173 -0.655 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.579 -12.098 -1.331 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.907 -10.347 0.430 1.00 0.00 C ATOM 0 H VAL A 45 -10.105 -9.280 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.491 -9.646 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.348 -11.788 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.113 -12.739 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.094 -12.715 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.812 -11.504 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.436 -11.012 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.150 -9.705 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.652 -9.732 0.934 1.00 0.00 H new ATOM 652 N GLY A 46 -9.292 -11.305 -3.877 1.00 0.00 N ATOM 653 CA GLY A 46 -9.864 -12.108 -4.942 1.00 0.00 C ATOM 654 C GLY A 46 -10.204 -11.286 -6.169 1.00 0.00 C ATOM 655 O GLY A 46 -9.872 -11.667 -7.291 1.00 0.00 O ATOM 0 H GLY A 46 -8.371 -10.917 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.161 -12.894 -5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.765 -12.601 -4.577 1.00 0.00 H new ATOM 659 N ASP A 47 -10.871 -10.157 -5.956 1.00 0.00 N ATOM 660 CA ASP A 47 -11.257 -9.279 -7.054 1.00 0.00 C ATOM 661 C ASP A 47 -10.036 -8.845 -7.859 1.00 0.00 C ATOM 662 O ASP A 47 -9.000 -8.499 -7.294 1.00 0.00 O ATOM 663 CB ASP A 47 -11.993 -8.049 -6.518 1.00 0.00 C ATOM 664 CG ASP A 47 -12.877 -7.401 -7.565 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.860 -7.864 -8.726 1.00 0.00 O ATOM 666 OD2 ASP A 47 -13.587 -6.432 -7.224 1.00 0.00 O ATOM 0 H ASP A 47 -11.155 -9.829 -5.033 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.925 -9.835 -7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.602 -8.338 -5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.265 -7.321 -6.160 1.00 0.00 H new ATOM 671 N GLU A 48 -10.167 -8.868 -9.182 1.00 0.00 N ATOM 672 CA GLU A 48 -9.072 -8.479 -10.064 1.00 0.00 C ATOM 673 C GLU A 48 -8.929 -6.961 -10.117 1.00 0.00 C ATOM 674 O GLU A 48 -7.818 -6.433 -10.155 1.00 0.00 O ATOM 675 CB GLU A 48 -9.303 -9.030 -11.473 1.00 0.00 C ATOM 676 CG GLU A 48 -10.577 -8.520 -12.125 1.00 0.00 C ATOM 677 CD GLU A 48 -10.968 -9.323 -13.350 1.00 0.00 C ATOM 678 OE1 GLU A 48 -10.599 -10.514 -13.421 1.00 0.00 O ATOM 679 OE2 GLU A 48 -11.644 -8.761 -14.237 1.00 0.00 O ATOM 0 H GLU A 48 -11.019 -9.151 -9.666 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.150 -8.900 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.452 -8.766 -12.101 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.339 -10.118 -11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.390 -8.552 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.443 -7.476 -12.407 1.00 0.00 H new ATOM 686 N ARG A 49 -10.062 -6.266 -10.119 1.00 0.00 N ATOM 687 CA ARG A 49 -10.064 -4.809 -10.169 1.00 0.00 C ATOM 688 C ARG A 49 -8.962 -4.233 -9.285 1.00 0.00 C ATOM 689 O ARG A 49 -8.442 -3.148 -9.551 1.00 0.00 O ATOM 690 CB ARG A 49 -11.424 -4.264 -9.728 1.00 0.00 C ATOM 691 CG ARG A 49 -12.511 -4.417 -10.779 1.00 0.00 C ATOM 692 CD ARG A 49 -13.887 -4.115 -10.205 1.00 0.00 C ATOM 693 NE ARG A 49 -14.413 -5.234 -9.428 1.00 0.00 N ATOM 694 CZ ARG A 49 -15.644 -5.268 -8.931 1.00 0.00 C ATOM 695 NH1 ARG A 49 -16.472 -4.251 -9.129 1.00 0.00 N ATOM 696 NH2 ARG A 49 -16.050 -6.322 -8.234 1.00 0.00 N ATOM 0 H ARG A 49 -10.990 -6.688 -10.087 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.875 -4.506 -11.199 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.735 -4.778 -8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.319 -3.208 -9.477 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.309 -3.746 -11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.496 -5.432 -11.175 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.829 -3.229 -9.572 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.576 -3.882 -11.017 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.802 -6.033 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.164 -3.439 -9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.417 -4.281 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.416 -7.106 -8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.996 -6.348 -7.852 1.00 0.00 H new ATOM 710 N CYS A 50 -8.612 -4.965 -8.234 1.00 0.00 N ATOM 711 CA CYS A 50 -7.572 -4.527 -7.309 1.00 0.00 C ATOM 712 C CYS A 50 -6.239 -4.358 -8.030 1.00 0.00 C ATOM 713 O CYS A 50 -5.784 -5.258 -8.737 1.00 0.00 O ATOM 714 CB CYS A 50 -7.423 -5.530 -6.164 1.00 0.00 C ATOM 715 SG CYS A 50 -8.989 -6.214 -5.574 1.00 0.00 S ATOM 0 H CYS A 50 -9.033 -5.864 -8.001 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.868 -3.561 -6.900 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.782 -6.348 -6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.915 -5.042 -5.332 1.00 0.00 H new ATOM 0 HG CYS A 50 -9.131 -7.425 -6.026 1.00 0.00 H new ATOM 721 N THR A 51 -5.616 -3.198 -7.848 1.00 0.00 N ATOM 722 CA THR A 51 -4.336 -2.909 -8.482 1.00 0.00 C ATOM 723 C THR A 51 -3.178 -3.469 -7.665 1.00 0.00 C ATOM 724 O THR A 51 -2.239 -4.012 -8.245 1.00 0.00 O ATOM 725 CB THR A 51 -4.132 -1.394 -8.671 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.131 -0.738 -7.398 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.225 -0.805 -9.550 1.00 0.00 C ATOM 0 H THR A 51 -5.978 -2.443 -7.266 1.00 0.00 H new ATOM 0 HA THR A 51 -4.352 -3.390 -9.460 1.00 0.00 H new ATOM 0 HB THR A 51 -3.171 -1.238 -9.161 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.656 -1.263 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.059 0.266 -9.669 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.204 -1.286 -10.528 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.196 -0.972 -9.084 1.00 0.00 H new ATOM 735 N HIS A 52 -3.267 -3.327 -6.350 1.00 0.00 N ATOM 736 CA HIS A 52 -2.222 -3.823 -5.471 1.00 0.00 C ATOM 737 C HIS A 52 -2.819 -4.818 -4.474 1.00 0.00 C ATOM 738 O HIS A 52 -4.015 -4.809 -4.178 1.00 0.00 O ATOM 739 CB HIS A 52 -1.492 -2.665 -4.788 1.00 0.00 C ATOM 740 CG HIS A 52 -0.795 -1.728 -5.746 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.480 -0.928 -6.643 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.531 -1.473 -5.936 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.596 -0.227 -7.338 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.650 -0.566 -6.898 1.00 0.00 N ATOM 0 H HIS A 52 -4.047 -2.875 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.472 -4.355 -6.056 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.209 -2.096 -4.196 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.757 -3.072 -4.094 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.493 -0.885 -6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.346 -1.931 -5.396 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.822 0.487 -8.116 1.00 0.00 H new ATOM 752 N LEU A 53 -1.954 -5.684 -3.959 1.00 0.00 N ATOM 753 CA LEU A 53 -2.367 -6.696 -2.993 1.00 0.00 C ATOM 754 C LEU A 53 -1.326 -6.853 -1.889 1.00 0.00 C ATOM 755 O LEU A 53 -0.228 -7.356 -2.126 1.00 0.00 O ATOM 756 CB LEU A 53 -2.590 -8.037 -3.695 1.00 0.00 C ATOM 757 CG LEU A 53 -2.648 -9.267 -2.788 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.580 -9.021 -1.612 1.00 0.00 C ATOM 759 CD2 LEU A 53 -3.093 -10.491 -3.576 1.00 0.00 C ATOM 0 H LEU A 53 -0.962 -5.706 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.303 -6.370 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.522 -7.980 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.789 -8.182 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.647 -9.454 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.608 -9.907 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.218 -8.172 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.583 -8.807 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.128 -11.357 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.084 -10.314 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.386 -10.680 -4.384 1.00 0.00 H new ATOM 771 N ILE A 54 -1.681 -6.422 -0.684 1.00 0.00 N ATOM 772 CA ILE A 54 -0.779 -6.518 0.457 1.00 0.00 C ATOM 773 C ILE A 54 -1.113 -7.729 1.322 1.00 0.00 C ATOM 774 O ILE A 54 -2.244 -7.885 1.780 1.00 0.00 O ATOM 775 CB ILE A 54 -0.835 -5.249 1.328 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.448 -4.020 0.502 1.00 0.00 C ATOM 777 CG2 ILE A 54 0.081 -5.393 2.534 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.619 -3.375 -0.206 1.00 0.00 C ATOM 0 H ILE A 54 -2.587 -6.003 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 54 0.228 -6.628 0.054 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.856 -5.117 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.020 -3.285 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.299 -4.310 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.030 -4.488 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.236 -6.248 3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.106 -5.546 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.271 -2.511 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.074 -4.095 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.357 -3.054 0.529 1.00 0.00 H new ATOM 790 N VAL A 55 -0.119 -8.584 1.543 1.00 0.00 N ATOM 791 CA VAL A 55 -0.305 -9.780 2.355 1.00 0.00 C ATOM 792 C VAL A 55 0.806 -9.920 3.390 1.00 0.00 C ATOM 793 O VAL A 55 1.975 -9.673 3.096 1.00 0.00 O ATOM 794 CB VAL A 55 -0.344 -11.050 1.484 1.00 0.00 C ATOM 795 CG1 VAL A 55 0.905 -11.144 0.621 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.496 -12.288 2.355 1.00 0.00 C ATOM 0 H VAL A 55 0.824 -8.470 1.171 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.262 -9.670 2.866 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.209 -10.991 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.860 -12.047 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.965 -10.271 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.787 -11.181 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.522 -13.176 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.348 -12.355 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.423 -12.221 2.924 1.00 0.00 H new ATOM 806 N GLU A 56 0.431 -10.319 4.601 1.00 0.00 N ATOM 807 CA GLU A 56 1.397 -10.493 5.680 1.00 0.00 C ATOM 808 C GLU A 56 2.253 -11.735 5.450 1.00 0.00 C ATOM 809 O GLU A 56 1.891 -12.836 5.863 1.00 0.00 O ATOM 810 CB GLU A 56 0.678 -10.598 7.026 1.00 0.00 C ATOM 811 CG GLU A 56 1.596 -10.411 8.223 1.00 0.00 C ATOM 812 CD GLU A 56 1.801 -8.951 8.578 1.00 0.00 C ATOM 813 OE1 GLU A 56 1.618 -8.093 7.688 1.00 0.00 O ATOM 814 OE2 GLU A 56 2.144 -8.666 9.744 1.00 0.00 O ATOM 0 H GLU A 56 -0.533 -10.528 4.860 1.00 0.00 H new ATOM 0 HA GLU A 56 2.050 -9.620 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.113 -9.849 7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.197 -11.574 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.178 -10.935 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.562 -10.869 8.010 1.00 0.00 H new ATOM 821 N GLU A 57 3.390 -11.548 4.786 1.00 0.00 N ATOM 822 CA GLU A 57 4.297 -12.653 4.500 1.00 0.00 C ATOM 823 C GLU A 57 4.941 -13.175 5.781 1.00 0.00 C ATOM 824 O GLU A 57 5.682 -14.157 5.760 1.00 0.00 O ATOM 825 CB GLU A 57 5.381 -12.211 3.515 1.00 0.00 C ATOM 826 CG GLU A 57 6.032 -10.887 3.880 1.00 0.00 C ATOM 827 CD GLU A 57 7.474 -10.799 3.418 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.827 -11.490 2.440 1.00 0.00 O ATOM 829 OE2 GLU A 57 8.249 -10.039 4.036 1.00 0.00 O ATOM 0 H GLU A 57 3.704 -10.643 4.437 1.00 0.00 H new ATOM 0 HA GLU A 57 3.716 -13.459 4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.150 -12.982 3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.944 -12.129 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.462 -10.071 3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.992 -10.752 4.961 1.00 0.00 H new ATOM 836 N ASN A 58 4.653 -12.509 6.895 1.00 0.00 N ATOM 837 CA ASN A 58 5.205 -12.904 8.186 1.00 0.00 C ATOM 838 C ASN A 58 4.434 -14.085 8.768 1.00 0.00 C ATOM 839 O ASN A 58 5.012 -14.964 9.408 1.00 0.00 O ATOM 840 CB ASN A 58 5.169 -11.726 9.161 1.00 0.00 C ATOM 841 CG ASN A 58 6.385 -10.830 9.031 1.00 0.00 C ATOM 842 OD1 ASN A 58 7.444 -11.117 9.590 1.00 0.00 O ATOM 843 ND2 ASN A 58 6.239 -9.738 8.290 1.00 0.00 N ATOM 0 H ASN A 58 4.041 -11.694 6.930 1.00 0.00 H new ATOM 0 HA ASN A 58 6.240 -13.209 8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.268 -11.139 8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.107 -12.104 10.181 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.023 -9.097 8.166 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.343 -9.540 7.845 1.00 0.00 H new ATOM 850 N THR A 59 3.124 -14.099 8.542 1.00 0.00 N ATOM 851 CA THR A 59 2.273 -15.171 9.044 1.00 0.00 C ATOM 852 C THR A 59 1.586 -15.909 7.900 1.00 0.00 C ATOM 853 O THR A 59 0.872 -16.887 8.120 1.00 0.00 O ATOM 854 CB THR A 59 1.201 -14.631 10.009 1.00 0.00 C ATOM 855 OG1 THR A 59 0.448 -15.717 10.561 1.00 0.00 O ATOM 856 CG2 THR A 59 0.264 -13.670 9.293 1.00 0.00 C ATOM 0 H THR A 59 2.629 -13.380 8.014 1.00 0.00 H new ATOM 0 HA THR A 59 2.920 -15.863 9.582 1.00 0.00 H new ATOM 0 HB THR A 59 1.704 -14.093 10.812 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.490 -16.486 9.955 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.485 -13.301 9.994 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.836 -12.830 8.898 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.232 -14.189 8.472 1.00 0.00 H new ATOM 864 N VAL A 60 1.808 -15.435 6.678 1.00 0.00 N ATOM 865 CA VAL A 60 1.211 -16.052 5.500 1.00 0.00 C ATOM 866 C VAL A 60 2.257 -16.803 4.684 1.00 0.00 C ATOM 867 O VAL A 60 3.300 -16.251 4.331 1.00 0.00 O ATOM 868 CB VAL A 60 0.531 -15.002 4.600 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.217 -15.679 3.462 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.405 -14.127 5.419 1.00 0.00 C ATOM 0 H VAL A 60 2.397 -14.626 6.478 1.00 0.00 H new ATOM 0 HA VAL A 60 0.459 -16.755 5.858 1.00 0.00 H new ATOM 0 HB VAL A 60 1.302 -14.364 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.691 -14.922 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.483 -16.260 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.980 -16.341 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.877 -13.391 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.172 -14.748 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.163 -13.614 6.195 1.00 0.00 H new ATOM 880 N LYS A 61 1.972 -18.066 4.386 1.00 0.00 N ATOM 881 CA LYS A 61 2.887 -18.895 3.609 1.00 0.00 C ATOM 882 C LYS A 61 2.469 -18.939 2.143 1.00 0.00 C ATOM 883 O LYS A 61 3.226 -18.536 1.260 1.00 0.00 O ATOM 884 CB LYS A 61 2.932 -20.314 4.181 1.00 0.00 C ATOM 885 CG LYS A 61 3.882 -20.466 5.357 1.00 0.00 C ATOM 886 CD LYS A 61 4.005 -21.917 5.790 1.00 0.00 C ATOM 887 CE LYS A 61 5.108 -22.635 5.027 1.00 0.00 C ATOM 888 NZ LYS A 61 5.153 -24.087 5.355 1.00 0.00 N ATOM 0 H LYS A 61 1.114 -18.539 4.671 1.00 0.00 H new ATOM 0 HA LYS A 61 3.881 -18.453 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.929 -20.602 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.230 -21.005 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.865 -20.082 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.526 -19.865 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.212 -21.962 6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.056 -22.428 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.950 -22.509 3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.069 -22.179 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.917 -24.541 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.329 -24.208 6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.244 -24.527 5.106 1.00 0.00 H new ATOM 902 N ASP A 62 1.260 -19.430 1.892 1.00 0.00 N ATOM 903 CA ASP A 62 0.741 -19.525 0.532 1.00 0.00 C ATOM 904 C ASP A 62 -0.525 -18.688 0.375 1.00 0.00 C ATOM 905 O ASP A 62 -1.271 -18.485 1.334 1.00 0.00 O ATOM 906 CB ASP A 62 0.451 -20.983 0.175 1.00 0.00 C ATOM 907 CG ASP A 62 -0.543 -21.625 1.122 1.00 0.00 C ATOM 908 OD1 ASP A 62 -1.608 -21.020 1.363 1.00 0.00 O ATOM 909 OD2 ASP A 62 -0.256 -22.733 1.623 1.00 0.00 O ATOM 0 H ASP A 62 0.621 -19.768 2.612 1.00 0.00 H new ATOM 0 HA ASP A 62 1.499 -19.137 -0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.064 -21.035 -0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.382 -21.550 0.191 1.00 0.00 H new ATOM 914 N LEU A 63 -0.761 -18.205 -0.840 1.00 0.00 N ATOM 915 CA LEU A 63 -1.936 -17.388 -1.123 1.00 0.00 C ATOM 916 C LEU A 63 -3.147 -18.265 -1.429 1.00 0.00 C ATOM 917 O LEU A 63 -3.033 -19.340 -2.018 1.00 0.00 O ATOM 918 CB LEU A 63 -1.660 -16.452 -2.301 1.00 0.00 C ATOM 919 CG LEU A 63 -0.796 -15.228 -1.996 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.340 -14.561 -3.285 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.558 -14.241 -1.124 1.00 0.00 C ATOM 0 H LEU A 63 -0.155 -18.365 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.155 -16.792 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.175 -17.027 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.615 -16.108 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 63 0.087 -15.558 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.274 -13.692 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.245 -15.268 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.211 -14.244 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.928 -13.376 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.460 -13.917 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.834 -14.722 -0.185 1.00 0.00 H new ATOM 933 N PRO A 64 -4.335 -17.796 -1.022 1.00 0.00 N ATOM 934 CA PRO A 64 -5.590 -18.520 -1.244 1.00 0.00 C ATOM 935 C PRO A 64 -5.994 -18.543 -2.714 1.00 0.00 C ATOM 936 O PRO A 64 -6.857 -19.322 -3.119 1.00 0.00 O ATOM 937 CB PRO A 64 -6.609 -17.724 -0.423 1.00 0.00 C ATOM 938 CG PRO A 64 -6.039 -16.350 -0.342 1.00 0.00 C ATOM 939 CD PRO A 64 -4.546 -16.522 -0.313 1.00 0.00 C ATOM 0 HA PRO A 64 -5.512 -19.568 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.587 -17.719 -0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.743 -18.156 0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.346 -15.749 -1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.390 -15.834 0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.037 -15.696 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.166 -16.563 0.708 1.00 0.00 H new ATOM 947 N PHE A 65 -5.363 -17.686 -3.510 1.00 0.00 N ATOM 948 CA PHE A 65 -5.657 -17.608 -4.936 1.00 0.00 C ATOM 949 C PHE A 65 -4.390 -17.323 -5.737 1.00 0.00 C ATOM 950 O PHE A 65 -3.334 -17.045 -5.170 1.00 0.00 O ATOM 951 CB PHE A 65 -6.700 -16.522 -5.205 1.00 0.00 C ATOM 952 CG PHE A 65 -6.118 -15.140 -5.291 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.634 -14.506 -4.158 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.055 -14.474 -6.505 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.097 -13.235 -4.233 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.519 -13.203 -6.586 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.041 -12.582 -5.449 1.00 0.00 C ATOM 0 H PHE A 65 -4.645 -17.036 -3.191 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.057 -18.571 -5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.217 -16.749 -6.138 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.448 -16.544 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.677 -15.011 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.429 -14.954 -7.397 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.722 -12.753 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.474 -12.695 -7.538 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.624 -11.588 -5.510 1.00 0.00 H new ATOM 967 N GLU A 66 -4.505 -17.394 -7.060 1.00 0.00 N ATOM 968 CA GLU A 66 -3.369 -17.144 -7.939 1.00 0.00 C ATOM 969 C GLU A 66 -3.467 -15.761 -8.576 1.00 0.00 C ATOM 970 O GLU A 66 -4.119 -15.567 -9.602 1.00 0.00 O ATOM 971 CB GLU A 66 -3.294 -18.215 -9.029 1.00 0.00 C ATOM 972 CG GLU A 66 -2.205 -17.962 -10.058 1.00 0.00 C ATOM 973 CD GLU A 66 -2.692 -17.137 -11.233 1.00 0.00 C ATOM 974 OE1 GLU A 66 -3.374 -17.704 -12.113 1.00 0.00 O ATOM 975 OE2 GLU A 66 -2.393 -15.926 -11.273 1.00 0.00 O ATOM 0 H GLU A 66 -5.372 -17.622 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.461 -17.184 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.123 -19.185 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.256 -18.272 -9.538 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.371 -17.449 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.825 -18.917 -10.422 1.00 0.00 H new ATOM 982 N PRO A 67 -2.804 -14.775 -7.954 1.00 0.00 N ATOM 983 CA PRO A 67 -2.801 -13.392 -8.441 1.00 0.00 C ATOM 984 C PRO A 67 -2.013 -13.236 -9.737 1.00 0.00 C ATOM 985 O PRO A 67 -0.845 -13.617 -9.814 1.00 0.00 O ATOM 986 CB PRO A 67 -2.123 -12.618 -7.307 1.00 0.00 C ATOM 987 CG PRO A 67 -1.272 -13.626 -6.616 1.00 0.00 C ATOM 988 CD PRO A 67 -2.006 -14.934 -6.726 1.00 0.00 C ATOM 0 HA PRO A 67 -3.806 -13.040 -8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.525 -11.793 -7.693 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.858 -12.187 -6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.288 -13.690 -7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.114 -13.354 -5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.318 -15.776 -6.800 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.638 -15.115 -5.857 1.00 0.00 H new ATOM 996 N SER A 68 -2.659 -12.674 -10.753 1.00 0.00 N ATOM 997 CA SER A 68 -2.020 -12.471 -12.048 1.00 0.00 C ATOM 998 C SER A 68 -0.954 -11.383 -11.963 1.00 0.00 C ATOM 999 O SER A 68 -1.045 -10.471 -11.140 1.00 0.00 O ATOM 1000 CB SER A 68 -3.063 -12.098 -13.103 1.00 0.00 C ATOM 1001 OG SER A 68 -3.977 -13.160 -13.314 1.00 0.00 O ATOM 0 H SER A 68 -3.625 -12.351 -10.705 1.00 0.00 H new ATOM 0 HA SER A 68 -1.539 -13.405 -12.338 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.604 -11.206 -12.785 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.565 -11.851 -14.040 1.00 0.00 H new ATOM 0 HG SER A 68 -4.634 -12.896 -13.991 1.00 0.00 H new ATOM 1007 N LYS A 69 0.056 -11.484 -12.819 1.00 0.00 N ATOM 1008 CA LYS A 69 1.140 -10.509 -12.844 1.00 0.00 C ATOM 1009 C LYS A 69 0.603 -9.093 -12.662 1.00 0.00 C ATOM 1010 O LYS A 69 1.055 -8.354 -11.787 1.00 0.00 O ATOM 1011 CB LYS A 69 1.912 -10.607 -14.162 1.00 0.00 C ATOM 1012 CG LYS A 69 2.644 -11.926 -14.341 1.00 0.00 C ATOM 1013 CD LYS A 69 3.942 -11.955 -13.552 1.00 0.00 C ATOM 1014 CE LYS A 69 4.801 -13.150 -13.936 1.00 0.00 C ATOM 1015 NZ LYS A 69 5.501 -12.937 -15.233 1.00 0.00 N ATOM 0 H LYS A 69 0.147 -12.232 -13.506 1.00 0.00 H new ATOM 0 HA LYS A 69 1.814 -10.732 -12.017 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.218 -10.471 -14.991 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.633 -9.791 -14.213 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.002 -12.746 -14.018 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.856 -12.085 -15.398 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.498 -11.034 -13.730 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.720 -11.993 -12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.536 -13.335 -13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.176 -14.040 -14.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.102 -13.760 -15.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.799 -12.819 -15.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.092 -12.083 -15.173 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.366 -8.722 -13.492 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.968 -7.396 -13.421 1.00 0.00 C ATOM 1031 C LYS A 70 -1.020 -6.898 -11.980 1.00 0.00 C ATOM 1032 O LYS A 70 -0.708 -5.740 -11.701 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.378 -7.421 -14.015 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.207 -8.610 -13.562 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.330 -8.912 -14.540 1.00 0.00 C ATOM 1036 CE LYS A 70 -3.839 -9.747 -15.712 1.00 0.00 C ATOM 1037 NZ LYS A 70 -3.252 -8.902 -16.789 1.00 0.00 N ATOM 0 H LYS A 70 -0.751 -9.321 -14.222 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.348 -6.712 -14.001 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.895 -6.502 -13.740 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.305 -7.433 -15.102 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.565 -9.485 -13.462 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.626 -8.408 -12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.130 -9.442 -14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.753 -7.978 -14.909 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.092 -10.460 -15.362 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.668 -10.327 -16.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.540 -9.273 -17.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.591 -7.924 -16.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.215 -8.918 -16.716 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.415 -7.780 -11.069 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.507 -7.430 -9.655 1.00 0.00 C ATOM 1053 C LEU A 71 -0.127 -7.429 -9.004 1.00 0.00 C ATOM 1054 O LEU A 71 0.664 -8.352 -9.201 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.427 -8.410 -8.926 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.653 -8.138 -7.438 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.701 -7.053 -7.247 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.067 -9.414 -6.720 1.00 0.00 C ATOM 0 H LEU A 71 -1.677 -8.742 -11.283 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.924 -6.426 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.395 -8.409 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.014 -9.413 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.715 -7.789 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.849 -6.873 -6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.365 -6.134 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.642 -7.373 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.224 -9.202 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.992 -9.793 -7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.282 -10.163 -6.828 1.00 0.00 H new ATOM 1070 N PHE A 72 0.153 -6.389 -8.226 1.00 0.00 N ATOM 1071 CA PHE A 72 1.437 -6.269 -7.544 1.00 0.00 C ATOM 1072 C PHE A 72 1.315 -6.676 -6.079 1.00 0.00 C ATOM 1073 O PHE A 72 0.805 -5.919 -5.253 1.00 0.00 O ATOM 1074 CB PHE A 72 1.959 -4.834 -7.645 1.00 0.00 C ATOM 1075 CG PHE A 72 2.418 -4.459 -9.025 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.502 -5.096 -9.606 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.765 -3.469 -9.741 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.927 -4.751 -10.876 1.00 0.00 C ATOM 1079 CE2 PHE A 72 2.185 -3.120 -11.011 1.00 0.00 C ATOM 1080 CZ PHE A 72 3.267 -3.763 -11.579 1.00 0.00 C ATOM 0 H PHE A 72 -0.491 -5.617 -8.052 1.00 0.00 H new ATOM 0 HA PHE A 72 2.144 -6.941 -8.031 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.172 -4.147 -7.333 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.788 -4.707 -6.948 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.021 -5.871 -9.061 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.918 -2.964 -9.302 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.775 -5.254 -11.318 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.668 -2.346 -11.558 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.596 -3.493 -12.572 1.00 0.00 H new ATOM 1090 N VAL A 73 1.785 -7.879 -5.764 1.00 0.00 N ATOM 1091 CA VAL A 73 1.730 -8.388 -4.399 1.00 0.00 C ATOM 1092 C VAL A 73 2.929 -7.913 -3.586 1.00 0.00 C ATOM 1093 O VAL A 73 4.064 -8.319 -3.838 1.00 0.00 O ATOM 1094 CB VAL A 73 1.686 -9.928 -4.375 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.386 -10.432 -2.972 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.656 -10.445 -5.368 1.00 0.00 C ATOM 0 H VAL A 73 2.208 -8.519 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 73 0.815 -7.998 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 73 2.664 -10.308 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.359 -11.522 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.163 -10.090 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.420 -10.046 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.637 -11.534 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.329 -10.058 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.920 -10.113 -6.372 1.00 0.00 H new ATOM 1106 N VAL A 74 2.670 -7.050 -2.609 1.00 0.00 N ATOM 1107 CA VAL A 74 3.727 -6.520 -1.756 1.00 0.00 C ATOM 1108 C VAL A 74 3.478 -6.865 -0.292 1.00 0.00 C ATOM 1109 O VAL A 74 2.394 -7.318 0.075 1.00 0.00 O ATOM 1110 CB VAL A 74 3.849 -4.991 -1.898 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.528 -4.628 -3.210 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.479 -4.336 -1.798 1.00 0.00 C ATOM 0 H VAL A 74 1.737 -6.703 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 74 4.658 -6.984 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 74 4.467 -4.616 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.605 -3.544 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.526 -5.066 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.940 -5.014 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.584 -3.256 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.836 -4.715 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.035 -4.567 -0.830 1.00 0.00 H new ATOM 1122 N LYS A 75 4.490 -6.649 0.541 1.00 0.00 N ATOM 1123 CA LYS A 75 4.383 -6.936 1.967 1.00 0.00 C ATOM 1124 C LYS A 75 3.609 -5.835 2.686 1.00 0.00 C ATOM 1125 O LYS A 75 3.274 -4.811 2.092 1.00 0.00 O ATOM 1126 CB LYS A 75 5.775 -7.082 2.585 1.00 0.00 C ATOM 1127 CG LYS A 75 6.696 -7.999 1.798 1.00 0.00 C ATOM 1128 CD LYS A 75 8.148 -7.569 1.921 1.00 0.00 C ATOM 1129 CE LYS A 75 9.059 -8.428 1.057 1.00 0.00 C ATOM 1130 NZ LYS A 75 9.588 -9.602 1.805 1.00 0.00 N ATOM 0 H LYS A 75 5.395 -6.276 0.253 1.00 0.00 H new ATOM 0 HA LYS A 75 3.840 -7.874 2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.235 -6.097 2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.674 -7.466 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.587 -9.022 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.403 -7.997 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.245 -6.524 1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.462 -7.638 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.509 -8.773 0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.891 -7.824 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.606 -9.703 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.435 -9.462 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.093 -10.463 1.496 1.00 0.00 H new ATOM 1144 N GLN A 76 3.331 -6.054 3.967 1.00 0.00 N ATOM 1145 CA GLN A 76 2.598 -5.079 4.766 1.00 0.00 C ATOM 1146 C GLN A 76 3.356 -3.758 4.845 1.00 0.00 C ATOM 1147 O GLN A 76 2.768 -2.686 4.712 1.00 0.00 O ATOM 1148 CB GLN A 76 2.352 -5.624 6.174 1.00 0.00 C ATOM 1149 CG GLN A 76 3.616 -5.747 7.009 1.00 0.00 C ATOM 1150 CD GLN A 76 4.654 -6.648 6.368 1.00 0.00 C ATOM 1151 OE1 GLN A 76 5.746 -6.203 6.015 1.00 0.00 O ATOM 1152 NE2 GLN A 76 4.316 -7.923 6.214 1.00 0.00 N ATOM 0 H GLN A 76 3.602 -6.897 4.473 1.00 0.00 H new ATOM 0 HA GLN A 76 1.639 -4.898 4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.648 -4.970 6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.880 -6.604 6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.044 -4.756 7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.360 -6.138 7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.399 -8.248 6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.973 -8.577 5.788 1.00 0.00 H new ATOM 1161 N GLU A 77 4.665 -3.845 5.061 1.00 0.00 N ATOM 1162 CA GLU A 77 5.503 -2.656 5.159 1.00 0.00 C ATOM 1163 C GLU A 77 5.101 -1.620 4.113 1.00 0.00 C ATOM 1164 O GLU A 77 4.792 -0.475 4.445 1.00 0.00 O ATOM 1165 CB GLU A 77 6.977 -3.028 4.983 1.00 0.00 C ATOM 1166 CG GLU A 77 7.935 -2.026 5.605 1.00 0.00 C ATOM 1167 CD GLU A 77 7.618 -1.740 7.060 1.00 0.00 C ATOM 1168 OE1 GLU A 77 7.387 -2.705 7.818 1.00 0.00 O ATOM 1169 OE2 GLU A 77 7.600 -0.551 7.440 1.00 0.00 O ATOM 0 H GLU A 77 5.167 -4.726 5.171 1.00 0.00 H new ATOM 0 HA GLU A 77 5.360 -2.223 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.151 -4.008 5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.196 -3.116 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.953 -2.406 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.898 -1.095 5.039 1.00 0.00 H new ATOM 1176 N TRP A 78 5.108 -2.030 2.850 1.00 0.00 N ATOM 1177 CA TRP A 78 4.744 -1.137 1.755 1.00 0.00 C ATOM 1178 C TRP A 78 3.570 -0.246 2.146 1.00 0.00 C ATOM 1179 O TRP A 78 3.672 0.980 2.113 1.00 0.00 O ATOM 1180 CB TRP A 78 4.393 -1.946 0.506 1.00 0.00 C ATOM 1181 CG TRP A 78 4.173 -1.097 -0.710 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.079 -0.824 -1.694 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.969 -0.409 -1.068 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.512 -0.008 -2.642 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.218 0.261 -2.282 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.706 -0.295 -0.482 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.249 1.033 -2.918 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.745 0.472 -1.114 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.021 1.127 -2.322 1.00 0.00 C ATOM 0 H TRP A 78 5.361 -2.974 2.558 1.00 0.00 H new ATOM 0 HA TRP A 78 5.602 -0.500 1.538 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.195 -2.656 0.304 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.493 -2.529 0.701 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.093 -1.195 -1.723 1.00 0.00 H new ATOM 0 HE1 TRP A 78 4.979 0.341 -3.479 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.484 -0.797 0.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.459 1.539 -3.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.235 0.568 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.249 1.718 -2.792 1.00 0.00 H new ATOM 1200 N PHE A 79 2.457 -0.870 2.516 1.00 0.00 N ATOM 1201 CA PHE A 79 1.263 -0.133 2.913 1.00 0.00 C ATOM 1202 C PHE A 79 1.577 0.845 4.041 1.00 0.00 C ATOM 1203 O PHE A 79 1.300 2.039 3.937 1.00 0.00 O ATOM 1204 CB PHE A 79 0.163 -1.101 3.352 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.064 -0.413 3.881 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -1.856 0.358 3.046 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.425 -0.540 5.213 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -2.984 0.992 3.530 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.553 0.092 5.702 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.334 0.858 4.860 1.00 0.00 C ATOM 0 H PHE A 79 2.357 -1.885 2.549 1.00 0.00 H new ATOM 0 HA PHE A 79 0.914 0.435 2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.118 -1.728 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.559 -1.764 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.589 0.465 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.819 -1.139 5.876 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.592 1.592 2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.823 -0.013 6.742 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.216 1.351 5.240 1.00 0.00 H new ATOM 1220 N TRP A 80 2.157 0.328 5.119 1.00 0.00 N ATOM 1221 CA TRP A 80 2.509 1.154 6.268 1.00 0.00 C ATOM 1222 C TRP A 80 3.381 2.331 5.845 1.00 0.00 C ATOM 1223 O TRP A 80 2.947 3.482 5.881 1.00 0.00 O ATOM 1224 CB TRP A 80 3.237 0.317 7.321 1.00 0.00 C ATOM 1225 CG TRP A 80 2.366 -0.723 7.959 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.609 -2.065 8.031 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.110 -0.505 8.612 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.581 -2.694 8.690 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.650 -1.760 9.058 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.332 0.627 8.866 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.554 -1.911 9.741 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.863 0.476 9.544 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.296 -0.785 9.976 1.00 0.00 C ATOM 0 H TRP A 80 2.393 -0.659 5.221 1.00 0.00 H new ATOM 0 HA TRP A 80 1.587 1.545 6.699 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.094 -0.172 6.858 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.627 0.978 8.095 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.481 -2.559 7.629 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.521 -3.695 8.875 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.658 1.603 8.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.890 -2.882 10.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.473 1.344 9.744 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.234 -0.870 10.505 1.00 0.00 H new ATOM 1244 N GLY A 81 4.614 2.036 5.445 1.00 0.00 N ATOM 1245 CA GLY A 81 5.527 3.081 5.021 1.00 0.00 C ATOM 1246 C GLY A 81 4.833 4.171 4.228 1.00 0.00 C ATOM 1247 O GLY A 81 4.756 5.317 4.671 1.00 0.00 O ATOM 0 H GLY A 81 4.997 1.091 5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.003 3.521 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.319 2.643 4.414 1.00 0.00 H new ATOM 1251 N SER A 82 4.327 3.814 3.051 1.00 0.00 N ATOM 1252 CA SER A 82 3.641 4.772 2.192 1.00 0.00 C ATOM 1253 C SER A 82 2.799 5.738 3.020 1.00 0.00 C ATOM 1254 O SER A 82 2.709 6.925 2.707 1.00 0.00 O ATOM 1255 CB SER A 82 2.754 4.040 1.183 1.00 0.00 C ATOM 1256 OG SER A 82 3.536 3.325 0.242 1.00 0.00 O ATOM 0 H SER A 82 4.379 2.869 2.671 1.00 0.00 H new ATOM 0 HA SER A 82 4.395 5.345 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.092 3.352 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.120 4.758 0.663 1.00 0.00 H new ATOM 0 HG SER A 82 3.744 2.436 0.598 1.00 0.00 H new ATOM 1262 N ILE A 83 2.184 5.220 4.078 1.00 0.00 N ATOM 1263 CA ILE A 83 1.350 6.036 4.952 1.00 0.00 C ATOM 1264 C ILE A 83 2.202 6.927 5.849 1.00 0.00 C ATOM 1265 O ILE A 83 1.917 8.113 6.011 1.00 0.00 O ATOM 1266 CB ILE A 83 0.436 5.163 5.833 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.437 4.258 4.961 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.428 6.038 6.728 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.958 3.039 5.688 1.00 0.00 C ATOM 0 H ILE A 83 2.248 4.239 4.351 1.00 0.00 H new ATOM 0 HA ILE A 83 0.731 6.660 4.307 1.00 0.00 H new ATOM 0 HB ILE A 83 1.060 4.533 6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.282 4.835 4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.140 3.935 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.068 5.407 7.345 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.211 6.644 7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.046 6.690 6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.569 2.444 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.119 2.440 6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.563 3.353 6.539 1.00 0.00 H new ATOM 1281 N GLN A 84 3.248 6.348 6.428 1.00 0.00 N ATOM 1282 CA GLN A 84 4.142 7.091 7.308 1.00 0.00 C ATOM 1283 C GLN A 84 4.804 8.245 6.563 1.00 0.00 C ATOM 1284 O GLN A 84 4.832 9.375 7.049 1.00 0.00 O ATOM 1285 CB GLN A 84 5.211 6.162 7.887 1.00 0.00 C ATOM 1286 CG GLN A 84 5.703 6.582 9.262 1.00 0.00 C ATOM 1287 CD GLN A 84 6.664 5.580 9.870 1.00 0.00 C ATOM 1288 OE1 GLN A 84 6.372 4.966 10.897 1.00 0.00 O ATOM 1289 NE2 GLN A 84 7.819 5.408 9.238 1.00 0.00 N ATOM 0 H GLN A 84 3.498 5.367 6.304 1.00 0.00 H new ATOM 0 HA GLN A 84 3.548 7.503 8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.808 5.151 7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.059 6.126 7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.195 7.552 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.848 6.709 9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.020 5.938 8.390 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.505 4.746 9.601 1.00 0.00 H new ATOM 1298 N MET A 85 5.336 7.952 5.381 1.00 0.00 N ATOM 1299 CA MET A 85 5.998 8.967 4.569 1.00 0.00 C ATOM 1300 C MET A 85 4.997 9.669 3.656 1.00 0.00 C ATOM 1301 O MET A 85 5.345 10.617 2.951 1.00 0.00 O ATOM 1302 CB MET A 85 7.112 8.335 3.733 1.00 0.00 C ATOM 1303 CG MET A 85 6.613 7.305 2.733 1.00 0.00 C ATOM 1304 SD MET A 85 7.911 6.727 1.623 1.00 0.00 S ATOM 1305 CE MET A 85 7.313 5.086 1.227 1.00 0.00 C ATOM 0 H MET A 85 5.322 7.021 4.964 1.00 0.00 H new ATOM 0 HA MET A 85 6.433 9.707 5.240 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.643 9.122 3.197 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.832 7.862 4.401 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.196 6.454 3.272 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.804 7.738 2.145 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.151 4.389 1.202 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.598 4.767 1.985 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.826 5.102 0.252 1.00 0.00 H new ATOM 1315 N ASP A 86 3.756 9.197 3.672 1.00 0.00 N ATOM 1316 CA ASP A 86 2.705 9.781 2.846 1.00 0.00 C ATOM 1317 C ASP A 86 3.132 9.835 1.383 1.00 0.00 C ATOM 1318 O ASP A 86 2.862 10.811 0.683 1.00 0.00 O ATOM 1319 CB ASP A 86 2.358 11.186 3.342 1.00 0.00 C ATOM 1320 CG ASP A 86 1.779 11.179 4.743 1.00 0.00 C ATOM 1321 OD1 ASP A 86 0.844 10.391 4.995 1.00 0.00 O ATOM 1322 OD2 ASP A 86 2.262 11.962 5.588 1.00 0.00 O ATOM 0 H ASP A 86 3.452 8.412 4.248 1.00 0.00 H new ATOM 0 HA ASP A 86 1.821 9.148 2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.255 11.806 3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.642 11.643 2.659 1.00 0.00 H new ATOM 1327 N ALA A 87 3.800 8.780 0.927 1.00 0.00 N ATOM 1328 CA ALA A 87 4.263 8.707 -0.453 1.00 0.00 C ATOM 1329 C ALA A 87 4.285 7.266 -0.949 1.00 0.00 C ATOM 1330 O ALA A 87 4.830 6.381 -0.290 1.00 0.00 O ATOM 1331 CB ALA A 87 5.644 9.333 -0.580 1.00 0.00 C ATOM 0 H ALA A 87 4.032 7.964 1.494 1.00 0.00 H new ATOM 0 HA ALA A 87 3.564 9.267 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.977 9.272 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.599 10.378 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.346 8.798 0.060 1.00 0.00 H new ATOM 1337 N ARG A 88 3.688 7.037 -2.115 1.00 0.00 N ATOM 1338 CA ARG A 88 3.638 5.702 -2.698 1.00 0.00 C ATOM 1339 C ARG A 88 5.042 5.125 -2.858 1.00 0.00 C ATOM 1340 O ARG A 88 5.884 5.698 -3.550 1.00 0.00 O ATOM 1341 CB ARG A 88 2.933 5.741 -4.055 1.00 0.00 C ATOM 1342 CG ARG A 88 2.745 4.370 -4.684 1.00 0.00 C ATOM 1343 CD ARG A 88 1.870 4.442 -5.926 1.00 0.00 C ATOM 1344 NE ARG A 88 2.003 3.249 -6.758 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.316 3.056 -7.879 1.00 0.00 C ATOM 1346 NH1 ARG A 88 0.454 3.971 -8.299 1.00 0.00 N ATOM 1347 NH2 ARG A 88 1.492 1.944 -8.582 1.00 0.00 N ATOM 0 H ARG A 88 3.233 7.759 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 88 3.075 5.059 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.958 6.213 -3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.509 6.368 -4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.717 3.952 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.293 3.694 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.828 4.563 -5.629 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.140 5.323 -6.509 1.00 0.00 H new ATOM 0 HE ARG A 88 2.658 2.525 -6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.316 4.827 -7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.072 3.819 -9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.155 1.238 -8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.965 1.796 -9.442 1.00 0.00 H new ATOM 1361 N ALA A 89 5.286 3.989 -2.214 1.00 0.00 N ATOM 1362 CA ALA A 89 6.587 3.334 -2.286 1.00 0.00 C ATOM 1363 C ALA A 89 6.672 2.415 -3.499 1.00 0.00 C ATOM 1364 O ALA A 89 5.661 2.105 -4.128 1.00 0.00 O ATOM 1365 CB ALA A 89 6.855 2.552 -1.009 1.00 0.00 C ATOM 0 H ALA A 89 4.600 3.503 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 89 7.350 4.105 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.829 2.068 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.846 3.232 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.082 1.795 -0.877 1.00 0.00 H new ATOM 1371 N GLY A 90 7.887 1.981 -3.824 1.00 0.00 N ATOM 1372 CA GLY A 90 8.081 1.102 -4.962 1.00 0.00 C ATOM 1373 C GLY A 90 7.832 -0.353 -4.619 1.00 0.00 C ATOM 1374 O GLY A 90 8.679 -1.008 -4.012 1.00 0.00 O ATOM 0 H GLY A 90 8.740 2.223 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.411 1.402 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.099 1.215 -5.335 1.00 0.00 H new ATOM 1378 N GLU A 91 6.666 -0.860 -5.008 1.00 0.00 N ATOM 1379 CA GLU A 91 6.308 -2.247 -4.735 1.00 0.00 C ATOM 1380 C GLU A 91 7.454 -3.187 -5.100 1.00 0.00 C ATOM 1381 O GLU A 91 7.664 -4.211 -4.449 1.00 0.00 O ATOM 1382 CB GLU A 91 5.049 -2.635 -5.513 1.00 0.00 C ATOM 1383 CG GLU A 91 5.085 -2.220 -6.975 1.00 0.00 C ATOM 1384 CD GLU A 91 6.018 -3.082 -7.803 1.00 0.00 C ATOM 1385 OE1 GLU A 91 6.116 -4.294 -7.517 1.00 0.00 O ATOM 1386 OE2 GLU A 91 6.649 -2.546 -8.738 1.00 0.00 O ATOM 0 H GLU A 91 5.954 -0.332 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 91 6.110 -2.340 -3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.914 -3.715 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.182 -2.179 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.079 -2.278 -7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.400 -1.179 -7.046 1.00 0.00 H new ATOM 1393 N THR A 92 8.194 -2.830 -6.145 1.00 0.00 N ATOM 1394 CA THR A 92 9.317 -3.641 -6.598 1.00 0.00 C ATOM 1395 C THR A 92 10.266 -3.959 -5.448 1.00 0.00 C ATOM 1396 O THR A 92 10.858 -5.036 -5.399 1.00 0.00 O ATOM 1397 CB THR A 92 10.105 -2.934 -7.717 1.00 0.00 C ATOM 1398 OG1 THR A 92 9.211 -2.509 -8.752 1.00 0.00 O ATOM 1399 CG2 THR A 92 11.163 -3.858 -8.302 1.00 0.00 C ATOM 0 H THR A 92 8.036 -1.985 -6.693 1.00 0.00 H new ATOM 0 HA THR A 92 8.899 -4.569 -6.988 1.00 0.00 H new ATOM 0 HB THR A 92 10.603 -2.065 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.352 -2.971 -8.652 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.706 -3.336 -9.090 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.859 -4.157 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.683 -4.744 -8.718 1.00 0.00 H new ATOM 1407 N MET A 93 10.404 -3.014 -4.523 1.00 0.00 N ATOM 1408 CA MET A 93 11.280 -3.196 -3.372 1.00 0.00 C ATOM 1409 C MET A 93 10.546 -3.901 -2.236 1.00 0.00 C ATOM 1410 O MET A 93 11.160 -4.336 -1.262 1.00 0.00 O ATOM 1411 CB MET A 93 11.810 -1.844 -2.889 1.00 0.00 C ATOM 1412 CG MET A 93 12.684 -1.134 -3.911 1.00 0.00 C ATOM 1413 SD MET A 93 11.727 -0.387 -5.243 1.00 0.00 S ATOM 1414 CE MET A 93 11.696 1.326 -4.718 1.00 0.00 C ATOM 0 H MET A 93 9.921 -2.116 -4.548 1.00 0.00 H new ATOM 0 HA MET A 93 12.119 -3.819 -3.681 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.967 -1.202 -2.636 1.00 0.00 H new ATOM 0 HB3 MET A 93 12.383 -1.993 -1.974 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.267 -0.361 -3.410 1.00 0.00 H new ATOM 0 HG3 MET A 93 13.394 -1.845 -4.333 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.313 1.948 -5.527 1.00 0.00 H new ATOM 0 HE2 MET A 93 11.050 1.428 -3.846 1.00 0.00 H new ATOM 0 HE3 MET A 93 12.706 1.646 -4.461 1.00 0.00 H new ATOM 1424 N TYR A 94 9.228 -4.011 -2.368 1.00 0.00 N ATOM 1425 CA TYR A 94 8.410 -4.662 -1.351 1.00 0.00 C ATOM 1426 C TYR A 94 7.652 -5.848 -1.939 1.00 0.00 C ATOM 1427 O TYR A 94 6.692 -6.343 -1.346 1.00 0.00 O ATOM 1428 CB TYR A 94 7.425 -3.662 -0.743 1.00 0.00 C ATOM 1429 CG TYR A 94 8.094 -2.516 -0.019 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.697 -1.481 -0.724 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.125 -2.468 1.369 1.00 0.00 C ATOM 1432 CE1 TYR A 94 9.311 -0.432 -0.067 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.735 -1.423 2.034 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.326 -0.407 1.312 1.00 0.00 C ATOM 1435 OH TYR A 94 9.936 0.636 1.972 1.00 0.00 O ATOM 0 H TYR A 94 8.704 -3.658 -3.169 1.00 0.00 H new ATOM 0 HA TYR A 94 9.073 -5.031 -0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.793 -3.261 -1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.770 -4.187 -0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.685 -1.497 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.664 -3.262 1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.776 0.364 -0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.749 -1.401 3.114 1.00 0.00 H new ATOM 0 HH TYR A 94 9.857 0.502 2.940 1.00 0.00 H new ATOM 1445 N LEU A 95 8.088 -6.299 -3.110 1.00 0.00 N ATOM 1446 CA LEU A 95 7.452 -7.428 -3.780 1.00 0.00 C ATOM 1447 C LEU A 95 7.581 -8.699 -2.948 1.00 0.00 C ATOM 1448 O LEU A 95 8.688 -9.147 -2.648 1.00 0.00 O ATOM 1449 CB LEU A 95 8.075 -7.643 -5.161 1.00 0.00 C ATOM 1450 CG LEU A 95 7.459 -6.840 -6.308 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.194 -7.121 -7.610 1.00 0.00 C ATOM 1452 CD2 LEU A 95 5.978 -7.161 -6.449 1.00 0.00 C ATOM 0 H LEU A 95 8.879 -5.900 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 95 6.393 -7.199 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.135 -7.398 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.006 -8.702 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 95 7.560 -5.779 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.742 -6.541 -8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.242 -6.840 -7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.125 -8.183 -7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.556 -6.581 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.854 -8.224 -6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.461 -6.908 -5.523 1.00 0.00 H new ATOM 1464 N TYR A 96 6.443 -9.276 -2.579 1.00 0.00 N ATOM 1465 CA TYR A 96 6.429 -10.496 -1.780 1.00 0.00 C ATOM 1466 C TYR A 96 6.936 -11.684 -2.592 1.00 0.00 C ATOM 1467 O TYR A 96 6.179 -12.314 -3.330 1.00 0.00 O ATOM 1468 CB TYR A 96 5.015 -10.780 -1.270 1.00 0.00 C ATOM 1469 CG TYR A 96 4.881 -12.112 -0.567 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.819 -12.521 0.373 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.817 -12.962 -0.843 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.701 -13.737 1.017 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.690 -14.179 -0.203 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.635 -14.562 0.726 1.00 0.00 C ATOM 1475 OH TYR A 96 4.513 -15.775 1.365 1.00 0.00 O ATOM 0 H TYR A 96 5.518 -8.919 -2.820 1.00 0.00 H new ATOM 0 HA TYR A 96 7.093 -10.350 -0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.719 -9.986 -0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.322 -10.751 -2.111 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.655 -11.877 0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.076 -12.666 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.439 -14.040 1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.856 -14.827 -0.428 1.00 0.00 H new ATOM 0 HH TYR A 96 4.102 -15.641 2.245 1.00 0.00 H new