USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 935 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 55 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 114 LYS NZ :NH3+ -176:sc= 0.407 (180deg=0.375) USER MOD Set 2.1: A 78 LYS NZ :NH3+ -162:sc= 1.64 (180deg=0.0561) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0.803 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -0.0561 (180deg=-0.413) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0.202 (180deg=0.158) USER MOD Single : A 31 CYS SG : rot 176:sc= -2.23 USER MOD Single : A 33 THR OG1 : rot -105:sc= -0.833 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -148:sc= 0.451 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 47:sc= 1.13 USER MOD Single : A 44 LYS NZ :NH3+ -133:sc= -0.154 (180deg=-1.25) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 59 HIS : no HD1:sc= -0.0022 X(o=-0.0022,f=0) USER MOD Single : A 62 ASN : amide:sc= -2.86! C(o=-2.9!,f=-7.9!) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0.483 (180deg=0.398) USER MOD Single : A 65 MET CE :methyl -151:sc= -0.265 (180deg=-0.972) USER MOD Single : A 67 MET CE :methyl 173:sc= -2.85! (180deg=-3.08!) USER MOD Single : A 69 LYS NZ :NH3+ -128:sc= 0.519 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= -0.017 (180deg=-0.202) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -30:sc= -1.06 USER MOD Single : A 91 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.2) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -167:sc= -0.0425 (180deg=-0.257) USER MOD Single : A 112 LYS NZ :NH3+ 136:sc= 1.31 (180deg=0.813) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 11.856 -0.344 9.571 1.00 0.00 N ATOM 51 CA GLY A 5 11.289 -0.348 8.241 1.00 0.00 C ATOM 52 C GLY A 5 9.890 0.220 8.190 1.00 0.00 C ATOM 53 O GLY A 5 9.379 0.732 9.189 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.933 0.228 7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.274 -1.370 7.862 1.00 0.00 H new ATOM 57 N ILE A 6 9.273 0.133 7.018 1.00 0.00 N ATOM 58 CA ILE A 6 7.921 0.630 6.821 1.00 0.00 C ATOM 59 C ILE A 6 6.921 -0.226 7.589 1.00 0.00 C ATOM 60 O ILE A 6 6.742 -1.408 7.293 1.00 0.00 O ATOM 61 CB ILE A 6 7.523 0.632 5.328 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.644 1.227 4.472 1.00 0.00 C ATOM 63 CG2 ILE A 6 6.228 1.410 5.130 1.00 0.00 C ATOM 64 CD1 ILE A 6 8.350 1.220 2.986 1.00 0.00 C ATOM 0 H ILE A 6 9.693 -0.281 6.185 1.00 0.00 H new ATOM 0 HA ILE A 6 7.903 1.655 7.192 1.00 0.00 H new ATOM 0 HB ILE A 6 7.362 -0.398 5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.827 2.253 4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.562 0.668 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.958 1.404 4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.432 0.945 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.367 2.438 5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.190 1.657 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.197 0.194 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.450 1.804 2.790 1.00 0.00 H new ATOM 76 N ALA A 7 6.281 0.366 8.578 1.00 0.00 N ATOM 77 CA ALA A 7 5.271 -0.336 9.343 1.00 0.00 C ATOM 78 C ALA A 7 3.886 0.013 8.825 1.00 0.00 C ATOM 79 O ALA A 7 3.333 1.064 9.159 1.00 0.00 O ATOM 80 CB ALA A 7 5.394 -0.017 10.826 1.00 0.00 C ATOM 0 H ALA A 7 6.442 1.330 8.870 1.00 0.00 H new ATOM 0 HA ALA A 7 5.426 -1.408 9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.625 -0.556 11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.378 -0.321 11.183 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.267 1.055 10.979 1.00 0.00 H new ATOM 86 N PHE A 8 3.353 -0.845 7.966 1.00 0.00 N ATOM 87 CA PHE A 8 1.998 -0.681 7.472 1.00 0.00 C ATOM 88 C PHE A 8 1.010 -0.988 8.588 1.00 0.00 C ATOM 89 O PHE A 8 0.904 -2.127 9.038 1.00 0.00 O ATOM 90 CB PHE A 8 1.748 -1.596 6.272 1.00 0.00 C ATOM 91 CG PHE A 8 2.444 -1.157 5.015 1.00 0.00 C ATOM 92 CD1 PHE A 8 1.856 -0.226 4.172 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.684 -1.673 4.672 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.489 0.180 3.013 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.321 -1.272 3.513 1.00 0.00 C ATOM 96 CZ PHE A 8 3.723 -0.344 2.683 1.00 0.00 C ATOM 0 H PHE A 8 3.841 -1.662 7.598 1.00 0.00 H new ATOM 0 HA PHE A 8 1.862 0.350 7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.075 -2.605 6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.676 -1.646 6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.891 0.187 4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.158 -2.397 5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.019 0.906 2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.286 -1.684 3.256 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.220 -0.029 1.777 1.00 0.00 H new ATOM 106 N ARG A 9 0.310 0.038 9.035 1.00 0.00 N ATOM 107 CA ARG A 9 -0.580 -0.071 10.178 1.00 0.00 C ATOM 108 C ARG A 9 -1.779 -0.951 9.856 1.00 0.00 C ATOM 109 O ARG A 9 -2.399 -0.823 8.797 1.00 0.00 O ATOM 110 CB ARG A 9 -1.035 1.324 10.607 1.00 0.00 C ATOM 111 CG ARG A 9 0.112 2.214 11.063 1.00 0.00 C ATOM 112 CD ARG A 9 -0.311 3.669 11.184 1.00 0.00 C ATOM 113 NE ARG A 9 -1.412 3.854 12.128 1.00 0.00 N ATOM 114 CZ ARG A 9 -1.986 5.028 12.385 1.00 0.00 C ATOM 115 NH1 ARG A 9 -1.505 6.148 11.851 1.00 0.00 N ATOM 116 NH2 ARG A 9 -3.019 5.084 13.211 1.00 0.00 N ATOM 0 H ARG A 9 0.341 0.968 8.618 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.039 -0.540 11.000 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.550 1.803 9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.758 1.230 11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.483 1.863 12.026 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.937 2.134 10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.542 4.267 11.504 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.611 4.040 10.204 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.762 3.032 12.621 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.690 6.112 11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.952 7.042 12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.371 4.231 13.646 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.463 5.980 13.412 1.00 0.00 H new ATOM 130 N GLU A 10 -2.086 -1.865 10.765 1.00 0.00 N ATOM 131 CA GLU A 10 -3.227 -2.745 10.602 1.00 0.00 C ATOM 132 C GLU A 10 -4.510 -2.042 11.020 1.00 0.00 C ATOM 133 O GLU A 10 -4.863 -2.004 12.201 1.00 0.00 O ATOM 134 CB GLU A 10 -3.053 -4.034 11.415 1.00 0.00 C ATOM 135 CG GLU A 10 -1.934 -4.943 10.925 1.00 0.00 C ATOM 136 CD GLU A 10 -0.561 -4.569 11.458 1.00 0.00 C ATOM 137 OE1 GLU A 10 -0.406 -3.472 12.037 1.00 0.00 O ATOM 138 OE2 GLU A 10 0.372 -5.387 11.309 1.00 0.00 O ATOM 0 H GLU A 10 -1.557 -2.014 11.624 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.293 -3.008 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.860 -3.770 12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.990 -4.590 11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.159 -5.969 11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.909 -4.918 9.836 1.00 0.00 H new ATOM 145 N LEU A 11 -5.179 -1.456 10.047 1.00 0.00 N ATOM 146 CA LEU A 11 -6.466 -0.841 10.258 1.00 0.00 C ATOM 147 C LEU A 11 -7.526 -1.630 9.507 1.00 0.00 C ATOM 148 O LEU A 11 -7.227 -2.289 8.508 1.00 0.00 O ATOM 149 CB LEU A 11 -6.441 0.604 9.754 1.00 0.00 C ATOM 150 CG LEU A 11 -5.427 1.524 10.432 1.00 0.00 C ATOM 151 CD1 LEU A 11 -5.375 2.865 9.721 1.00 0.00 C ATOM 152 CD2 LEU A 11 -5.777 1.716 11.899 1.00 0.00 C ATOM 0 H LEU A 11 -4.841 -1.395 9.087 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.698 -0.839 11.323 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.235 0.593 8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.435 1.032 9.883 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.443 1.058 10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.649 3.511 10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.080 2.715 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.359 3.333 9.755 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.044 2.374 12.365 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.768 2.162 11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.770 0.750 12.404 1.00 0.00 H new ATOM 164 N SER A 12 -8.748 -1.586 9.993 1.00 0.00 N ATOM 165 CA SER A 12 -9.858 -2.208 9.298 1.00 0.00 C ATOM 166 C SER A 12 -10.361 -1.277 8.198 1.00 0.00 C ATOM 167 O SER A 12 -9.966 -0.109 8.147 1.00 0.00 O ATOM 168 CB SER A 12 -10.974 -2.514 10.292 1.00 0.00 C ATOM 169 OG SER A 12 -10.461 -3.204 11.416 1.00 0.00 O ATOM 0 H SER A 12 -9.000 -1.126 10.868 1.00 0.00 H new ATOM 0 HA SER A 12 -9.529 -3.141 8.841 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.448 -1.586 10.613 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.744 -3.115 9.809 1.00 0.00 H new ATOM 0 HG SER A 12 -11.189 -3.391 12.045 1.00 0.00 H new ATOM 175 N PHE A 13 -11.228 -1.787 7.330 1.00 0.00 N ATOM 176 CA PHE A 13 -11.797 -0.983 6.250 1.00 0.00 C ATOM 177 C PHE A 13 -12.472 0.281 6.803 1.00 0.00 C ATOM 178 O PHE A 13 -12.126 1.388 6.385 1.00 0.00 O ATOM 179 CB PHE A 13 -12.785 -1.818 5.421 1.00 0.00 C ATOM 180 CG PHE A 13 -13.324 -1.108 4.210 1.00 0.00 C ATOM 181 CD1 PHE A 13 -12.642 -1.154 3.006 1.00 0.00 C ATOM 182 CD2 PHE A 13 -14.513 -0.399 4.277 1.00 0.00 C ATOM 183 CE1 PHE A 13 -13.134 -0.507 1.890 1.00 0.00 C ATOM 184 CE2 PHE A 13 -15.011 0.251 3.165 1.00 0.00 C ATOM 185 CZ PHE A 13 -14.321 0.198 1.970 1.00 0.00 C ATOM 0 H PHE A 13 -11.553 -2.753 7.352 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.985 -0.666 5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -12.290 -2.735 5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.619 -2.112 6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -11.714 -1.703 2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -15.056 -0.354 5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -12.593 -0.551 0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -15.939 0.800 3.230 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.708 0.706 1.099 1.00 0.00 H new ATOM 195 N PRO A 14 -13.423 0.153 7.760 1.00 0.00 N ATOM 196 CA PRO A 14 -14.059 1.321 8.384 1.00 0.00 C ATOM 197 C PRO A 14 -13.053 2.207 9.117 1.00 0.00 C ATOM 198 O PRO A 14 -13.138 3.432 9.052 1.00 0.00 O ATOM 199 CB PRO A 14 -15.061 0.714 9.374 1.00 0.00 C ATOM 200 CG PRO A 14 -14.599 -0.686 9.590 1.00 0.00 C ATOM 201 CD PRO A 14 -13.969 -1.109 8.298 1.00 0.00 C ATOM 0 HA PRO A 14 -14.524 1.969 7.641 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.077 1.272 10.310 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.074 0.737 8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.884 -0.740 10.411 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.433 -1.338 9.851 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.187 -1.851 8.456 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.698 -1.553 7.621 1.00 0.00 H new ATOM 209 N GLU A 15 -12.097 1.581 9.797 1.00 0.00 N ATOM 210 CA GLU A 15 -11.074 2.304 10.542 1.00 0.00 C ATOM 211 C GLU A 15 -10.286 3.244 9.641 1.00 0.00 C ATOM 212 O GLU A 15 -10.180 4.442 9.911 1.00 0.00 O ATOM 213 CB GLU A 15 -10.110 1.323 11.204 1.00 0.00 C ATOM 214 CG GLU A 15 -10.702 0.570 12.382 1.00 0.00 C ATOM 215 CD GLU A 15 -11.104 1.496 13.509 1.00 0.00 C ATOM 216 OE1 GLU A 15 -10.212 2.003 14.216 1.00 0.00 O ATOM 217 OE2 GLU A 15 -12.316 1.728 13.689 1.00 0.00 O ATOM 0 H GLU A 15 -12.010 0.566 9.847 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.582 2.896 11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.773 0.603 10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.229 1.868 11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.573 0.006 12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.975 -0.154 12.751 1.00 0.00 H new ATOM 224 N ALA A 16 -9.737 2.690 8.569 1.00 0.00 N ATOM 225 CA ALA A 16 -8.905 3.457 7.657 1.00 0.00 C ATOM 226 C ALA A 16 -9.711 4.560 6.981 1.00 0.00 C ATOM 227 O ALA A 16 -9.242 5.690 6.841 1.00 0.00 O ATOM 228 CB ALA A 16 -8.278 2.536 6.621 1.00 0.00 C ATOM 0 H ALA A 16 -9.854 1.710 8.311 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.109 3.930 8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.657 3.121 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.663 1.789 7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.064 2.038 6.054 1.00 0.00 H new ATOM 234 N LEU A 17 -10.935 4.222 6.590 1.00 0.00 N ATOM 235 CA LEU A 17 -11.828 5.163 5.927 1.00 0.00 C ATOM 236 C LEU A 17 -12.164 6.320 6.860 1.00 0.00 C ATOM 237 O LEU A 17 -12.144 7.486 6.465 1.00 0.00 O ATOM 238 CB LEU A 17 -13.115 4.450 5.513 1.00 0.00 C ATOM 239 CG LEU A 17 -13.989 5.203 4.512 1.00 0.00 C ATOM 240 CD1 LEU A 17 -13.257 5.373 3.190 1.00 0.00 C ATOM 241 CD2 LEU A 17 -15.305 4.470 4.304 1.00 0.00 C ATOM 0 H LEU A 17 -11.334 3.293 6.723 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.328 5.556 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.853 3.483 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.705 4.253 6.408 1.00 0.00 H new ATOM 0 HG LEU A 17 -14.205 6.193 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.894 5.911 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.338 5.937 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.013 4.393 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -15.918 5.018 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -15.107 3.469 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -15.835 4.397 5.254 1.00 0.00 H new ATOM 253 N LYS A 18 -12.476 5.976 8.101 1.00 0.00 N ATOM 254 CA LYS A 18 -12.798 6.962 9.126 1.00 0.00 C ATOM 255 C LYS A 18 -11.663 7.969 9.286 1.00 0.00 C ATOM 256 O LYS A 18 -11.882 9.181 9.254 1.00 0.00 O ATOM 257 CB LYS A 18 -13.060 6.264 10.464 1.00 0.00 C ATOM 258 CG LYS A 18 -13.490 7.204 11.577 1.00 0.00 C ATOM 259 CD LYS A 18 -14.883 7.764 11.330 1.00 0.00 C ATOM 260 CE LYS A 18 -15.324 8.675 12.462 1.00 0.00 C ATOM 261 NZ LYS A 18 -15.245 7.997 13.782 1.00 0.00 N ATOM 0 H LYS A 18 -12.513 5.010 8.426 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.696 7.496 8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.832 5.508 10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.155 5.742 10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.474 6.673 12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.776 8.024 11.657 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.893 8.317 10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.593 6.944 11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.698 9.568 12.474 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.347 9.005 12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.782 8.543 14.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.647 7.041 13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.251 7.932 14.080 1.00 0.00 H new ATOM 275 N ARG A 19 -10.448 7.453 9.446 1.00 0.00 N ATOM 276 CA ARG A 19 -9.269 8.289 9.640 1.00 0.00 C ATOM 277 C ARG A 19 -9.008 9.167 8.424 1.00 0.00 C ATOM 278 O ARG A 19 -8.578 10.314 8.556 1.00 0.00 O ATOM 279 CB ARG A 19 -8.055 7.412 9.943 1.00 0.00 C ATOM 280 CG ARG A 19 -8.146 6.713 11.289 1.00 0.00 C ATOM 281 CD ARG A 19 -8.168 7.716 12.428 1.00 0.00 C ATOM 282 NE ARG A 19 -8.448 7.090 13.718 1.00 0.00 N ATOM 283 CZ ARG A 19 -8.136 7.637 14.893 1.00 0.00 C ATOM 284 NH1 ARG A 19 -7.485 8.789 14.944 1.00 0.00 N ATOM 285 NH2 ARG A 19 -8.484 7.029 16.018 1.00 0.00 N ATOM 0 H ARG A 19 -10.254 6.452 9.445 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.451 8.949 10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.950 6.663 9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.155 8.027 9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.047 6.100 11.323 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.297 6.040 11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.206 8.227 12.477 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.923 8.476 12.225 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.910 6.180 13.720 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.219 9.263 14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.249 9.202 15.846 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.990 6.144 15.984 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.246 7.446 16.918 1.00 0.00 H new ATOM 299 N ALA A 20 -9.272 8.626 7.245 1.00 0.00 N ATOM 300 CA ALA A 20 -9.146 9.387 6.010 1.00 0.00 C ATOM 301 C ALA A 20 -10.044 10.617 6.040 1.00 0.00 C ATOM 302 O ALA A 20 -9.595 11.737 5.798 1.00 0.00 O ATOM 303 CB ALA A 20 -9.502 8.520 4.814 1.00 0.00 C ATOM 0 H ALA A 20 -9.576 7.661 7.116 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.110 9.712 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.403 9.104 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.829 7.663 4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.530 8.170 4.911 1.00 0.00 H new ATOM 309 N GLU A 21 -11.309 10.395 6.358 1.00 0.00 N ATOM 310 CA GLU A 21 -12.301 11.461 6.373 1.00 0.00 C ATOM 311 C GLU A 21 -11.991 12.533 7.414 1.00 0.00 C ATOM 312 O GLU A 21 -11.954 13.722 7.090 1.00 0.00 O ATOM 313 CB GLU A 21 -13.689 10.874 6.623 1.00 0.00 C ATOM 314 CG GLU A 21 -14.306 10.250 5.387 1.00 0.00 C ATOM 315 CD GLU A 21 -14.670 11.292 4.351 1.00 0.00 C ATOM 316 OE1 GLU A 21 -13.764 11.791 3.656 1.00 0.00 O ATOM 317 OE2 GLU A 21 -15.867 11.629 4.239 1.00 0.00 O ATOM 0 H GLU A 21 -11.677 9.478 6.612 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.273 11.945 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.621 10.120 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.348 11.660 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.606 9.536 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.198 9.691 5.669 1.00 0.00 H new ATOM 324 N VAL A 22 -11.752 12.116 8.651 1.00 0.00 N ATOM 325 CA VAL A 22 -11.647 13.061 9.760 1.00 0.00 C ATOM 326 C VAL A 22 -10.288 13.762 9.821 1.00 0.00 C ATOM 327 O VAL A 22 -10.208 14.919 10.234 1.00 0.00 O ATOM 328 CB VAL A 22 -11.939 12.387 11.121 1.00 0.00 C ATOM 329 CG1 VAL A 22 -13.345 11.809 11.137 1.00 0.00 C ATOM 330 CG2 VAL A 22 -10.915 11.302 11.439 1.00 0.00 C ATOM 0 H VAL A 22 -11.628 11.138 8.912 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.407 13.818 9.565 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.863 13.153 11.893 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.534 11.338 12.102 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.069 12.608 10.975 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.442 11.066 10.346 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.151 10.850 12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.942 10.537 10.663 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.919 11.742 11.479 1.00 0.00 H new ATOM 340 N GLU A 23 -9.224 13.084 9.407 1.00 0.00 N ATOM 341 CA GLU A 23 -7.882 13.643 9.554 1.00 0.00 C ATOM 342 C GLU A 23 -7.379 14.252 8.246 1.00 0.00 C ATOM 343 O GLU A 23 -6.511 15.121 8.261 1.00 0.00 O ATOM 344 CB GLU A 23 -6.914 12.575 10.065 1.00 0.00 C ATOM 345 CG GLU A 23 -5.570 13.130 10.500 1.00 0.00 C ATOM 346 CD GLU A 23 -4.853 12.208 11.460 1.00 0.00 C ATOM 347 OE1 GLU A 23 -5.171 12.252 12.671 1.00 0.00 O ATOM 348 OE2 GLU A 23 -3.979 11.435 11.016 1.00 0.00 O ATOM 0 H GLU A 23 -9.260 12.161 8.974 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.934 14.447 10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.372 12.054 10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.755 11.835 9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.945 13.294 9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.716 14.101 10.973 1.00 0.00 H new ATOM 355 N ASP A 24 -7.943 13.796 7.128 1.00 0.00 N ATOM 356 CA ASP A 24 -7.595 14.313 5.799 1.00 0.00 C ATOM 357 C ASP A 24 -6.143 14.004 5.429 1.00 0.00 C ATOM 358 O ASP A 24 -5.227 14.777 5.726 1.00 0.00 O ATOM 359 CB ASP A 24 -7.859 15.824 5.703 1.00 0.00 C ATOM 360 CG ASP A 24 -7.514 16.394 4.340 1.00 0.00 C ATOM 361 OD1 ASP A 24 -8.318 16.226 3.399 1.00 0.00 O ATOM 362 OD2 ASP A 24 -6.444 17.020 4.205 1.00 0.00 O ATOM 0 H ASP A 24 -8.651 13.062 7.114 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.239 13.802 5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.909 16.019 5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.276 16.340 6.466 1.00 0.00 H new ATOM 367 N LYS A 25 -5.958 12.857 4.794 1.00 0.00 N ATOM 368 CA LYS A 25 -4.662 12.417 4.295 1.00 0.00 C ATOM 369 C LYS A 25 -4.849 11.104 3.550 1.00 0.00 C ATOM 370 O LYS A 25 -5.347 10.131 4.119 1.00 0.00 O ATOM 371 CB LYS A 25 -3.645 12.248 5.432 1.00 0.00 C ATOM 372 CG LYS A 25 -2.218 12.050 4.938 1.00 0.00 C ATOM 373 CD LYS A 25 -1.206 12.167 6.065 1.00 0.00 C ATOM 374 CE LYS A 25 -1.277 10.989 7.023 1.00 0.00 C ATOM 375 NZ LYS A 25 -0.354 11.160 8.178 1.00 0.00 N ATOM 0 H LYS A 25 -6.713 12.196 4.608 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.265 13.178 3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.681 13.127 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.933 11.393 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.129 11.069 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.994 12.791 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.202 12.232 5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.382 13.092 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.298 10.878 7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.027 10.072 6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.263 10.257 8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.581 11.459 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.734 11.883 8.822 1.00 0.00 H new ATOM 389 N LEU A 26 -4.464 11.093 2.280 1.00 0.00 N ATOM 390 CA LEU A 26 -4.736 9.965 1.396 1.00 0.00 C ATOM 391 C LEU A 26 -4.036 8.688 1.864 1.00 0.00 C ATOM 392 O LEU A 26 -3.011 8.731 2.551 1.00 0.00 O ATOM 393 CB LEU A 26 -4.326 10.312 -0.038 1.00 0.00 C ATOM 394 CG LEU A 26 -5.002 11.560 -0.616 1.00 0.00 C ATOM 395 CD1 LEU A 26 -4.583 11.775 -2.057 1.00 0.00 C ATOM 396 CD2 LEU A 26 -6.513 11.447 -0.521 1.00 0.00 C ATOM 0 H LEU A 26 -3.958 11.859 1.836 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.808 9.771 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.246 10.455 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.553 9.462 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.682 12.420 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.074 12.666 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.502 11.905 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.872 10.909 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.972 12.344 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.849 10.574 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.805 11.341 0.524 1.00 0.00 H new ATOM 408 N LEU A 27 -4.603 7.551 1.478 1.00 0.00 N ATOM 409 CA LEU A 27 -4.128 6.257 1.947 1.00 0.00 C ATOM 410 C LEU A 27 -3.267 5.563 0.903 1.00 0.00 C ATOM 411 O LEU A 27 -3.522 5.661 -0.302 1.00 0.00 O ATOM 412 CB LEU A 27 -5.308 5.339 2.301 1.00 0.00 C ATOM 413 CG LEU A 27 -5.988 5.596 3.648 1.00 0.00 C ATOM 414 CD1 LEU A 27 -6.694 6.939 3.663 1.00 0.00 C ATOM 415 CD2 LEU A 27 -6.970 4.479 3.958 1.00 0.00 C ATOM 0 H LEU A 27 -5.396 7.500 0.838 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.525 6.445 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.059 5.429 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.955 4.308 2.287 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.217 5.617 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.167 7.091 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.969 7.733 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.454 6.959 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.448 4.671 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.729 4.435 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.438 3.529 4.001 1.00 0.00 H new ATOM 427 N PHE A 28 -2.247 4.864 1.378 1.00 0.00 N ATOM 428 CA PHE A 28 -1.480 3.959 0.545 1.00 0.00 C ATOM 429 C PHE A 28 -1.542 2.566 1.160 1.00 0.00 C ATOM 430 O PHE A 28 -0.945 2.304 2.211 1.00 0.00 O ATOM 431 CB PHE A 28 -0.026 4.417 0.391 1.00 0.00 C ATOM 432 CG PHE A 28 0.806 3.451 -0.406 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.524 3.214 -1.742 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.859 2.770 0.183 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.276 2.314 -2.474 1.00 0.00 C ATOM 436 CE2 PHE A 28 2.617 1.872 -0.544 1.00 0.00 C ATOM 437 CZ PHE A 28 2.324 1.643 -1.873 1.00 0.00 C ATOM 0 H PHE A 28 -1.931 4.910 2.347 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.912 3.949 -0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.006 5.393 -0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.417 4.543 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.292 3.738 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.090 2.943 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.045 2.136 -3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.437 1.350 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.913 0.940 -2.443 1.00 0.00 H new ATOM 447 N VAL A 29 -2.287 1.690 0.519 1.00 0.00 N ATOM 448 CA VAL A 29 -2.562 0.380 1.074 1.00 0.00 C ATOM 449 C VAL A 29 -1.738 -0.696 0.383 1.00 0.00 C ATOM 450 O VAL A 29 -1.729 -0.791 -0.846 1.00 0.00 O ATOM 451 CB VAL A 29 -4.059 0.037 0.950 1.00 0.00 C ATOM 452 CG1 VAL A 29 -4.384 -1.253 1.683 1.00 0.00 C ATOM 453 CG2 VAL A 29 -4.914 1.180 1.471 1.00 0.00 C ATOM 0 H VAL A 29 -2.715 1.862 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.286 0.410 2.128 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.286 -0.109 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.447 -1.472 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.802 -2.070 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.137 -1.144 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.968 0.919 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.679 1.361 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.709 2.081 0.892 1.00 0.00 H new ATOM 463 N ASP A 30 -1.037 -1.483 1.180 1.00 0.00 N ATOM 464 CA ASP A 30 -0.310 -2.639 0.681 1.00 0.00 C ATOM 465 C ASP A 30 -1.132 -3.896 0.921 1.00 0.00 C ATOM 466 O ASP A 30 -1.394 -4.276 2.068 1.00 0.00 O ATOM 467 CB ASP A 30 1.053 -2.760 1.364 1.00 0.00 C ATOM 468 CG ASP A 30 1.766 -4.057 1.025 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.991 -4.320 -0.177 1.00 0.00 O ATOM 470 OD2 ASP A 30 2.095 -4.817 1.961 1.00 0.00 O ATOM 0 H ASP A 30 -0.955 -1.341 2.187 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.142 -2.514 -0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.679 -1.918 1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.921 -2.695 2.444 1.00 0.00 H new ATOM 475 N CYS A 31 -1.590 -4.504 -0.157 1.00 0.00 N ATOM 476 CA CYS A 31 -2.346 -5.735 -0.065 1.00 0.00 C ATOM 477 C CYS A 31 -1.652 -6.818 -0.865 1.00 0.00 C ATOM 478 O CYS A 31 -1.597 -6.763 -2.094 1.00 0.00 O ATOM 479 CB CYS A 31 -3.773 -5.529 -0.575 1.00 0.00 C ATOM 480 SG CYS A 31 -4.707 -4.294 0.353 1.00 0.00 S ATOM 0 H CYS A 31 -1.450 -4.163 -1.108 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.399 -6.040 0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.735 -5.231 -1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.305 -6.480 -0.534 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.871 -4.123 -0.201 1.00 0.00 H new ATOM 486 N PHE A 32 -1.134 -7.809 -0.176 1.00 0.00 N ATOM 487 CA PHE A 32 -0.354 -8.836 -0.829 1.00 0.00 C ATOM 488 C PHE A 32 -0.872 -10.222 -0.497 1.00 0.00 C ATOM 489 O PHE A 32 -1.664 -10.409 0.430 1.00 0.00 O ATOM 490 CB PHE A 32 1.122 -8.717 -0.429 1.00 0.00 C ATOM 491 CG PHE A 32 1.381 -8.901 1.046 1.00 0.00 C ATOM 492 CD1 PHE A 32 1.267 -7.833 1.923 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.737 -10.140 1.554 1.00 0.00 C ATOM 494 CE1 PHE A 32 1.503 -7.998 3.275 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.974 -10.312 2.905 1.00 0.00 C ATOM 496 CZ PHE A 32 1.857 -9.241 3.766 1.00 0.00 C ATOM 0 H PHE A 32 -1.238 -7.926 0.832 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.448 -8.690 -1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.698 -9.459 -0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.491 -7.737 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.990 -6.860 1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.831 -10.983 0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.411 -7.157 3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.250 -11.284 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.042 -9.373 4.822 1.00 0.00 H new ATOM 506 N THR A 33 -0.416 -11.185 -1.271 1.00 0.00 N ATOM 507 CA THR A 33 -0.694 -12.582 -1.011 1.00 0.00 C ATOM 508 C THR A 33 0.514 -13.204 -0.313 1.00 0.00 C ATOM 509 O THR A 33 1.629 -12.714 -0.481 1.00 0.00 O ATOM 510 CB THR A 33 -0.977 -13.308 -2.345 1.00 0.00 C ATOM 511 OG1 THR A 33 -2.080 -12.671 -3.003 1.00 0.00 O ATOM 512 CG2 THR A 33 -1.283 -14.786 -2.143 1.00 0.00 C ATOM 0 H THR A 33 0.158 -11.021 -2.098 1.00 0.00 H new ATOM 0 HA THR A 33 -1.570 -12.678 -0.369 1.00 0.00 H new ATOM 0 HB THR A 33 -0.078 -13.244 -2.958 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.880 -13.231 -2.917 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.475 -15.253 -3.109 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.431 -15.272 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.162 -14.892 -1.508 1.00 0.00 H new ATOM 520 N THR A 34 0.283 -14.236 0.503 1.00 0.00 N ATOM 521 CA THR A 34 1.360 -14.950 1.188 1.00 0.00 C ATOM 522 C THR A 34 2.534 -15.208 0.242 1.00 0.00 C ATOM 523 O THR A 34 3.697 -15.006 0.599 1.00 0.00 O ATOM 524 CB THR A 34 0.852 -16.285 1.765 1.00 0.00 C ATOM 525 OG1 THR A 34 -0.281 -16.047 2.613 1.00 0.00 O ATOM 526 CG2 THR A 34 1.942 -16.990 2.557 1.00 0.00 C ATOM 0 H THR A 34 -0.649 -14.597 0.705 1.00 0.00 H new ATOM 0 HA THR A 34 1.704 -14.320 2.008 1.00 0.00 H new ATOM 0 HB THR A 34 0.562 -16.927 0.933 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.602 -16.899 2.977 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.555 -17.929 2.952 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.792 -17.193 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.262 -16.353 3.382 1.00 0.00 H new ATOM 534 N TRP A 35 2.221 -15.645 -0.968 1.00 0.00 N ATOM 535 CA TRP A 35 3.213 -15.741 -2.015 1.00 0.00 C ATOM 536 C TRP A 35 3.396 -14.375 -2.671 1.00 0.00 C ATOM 537 O TRP A 35 2.635 -13.990 -3.560 1.00 0.00 O ATOM 538 CB TRP A 35 2.798 -16.788 -3.051 1.00 0.00 C ATOM 539 CG TRP A 35 3.679 -16.808 -4.262 1.00 0.00 C ATOM 540 CD1 TRP A 35 5.019 -17.048 -4.295 1.00 0.00 C ATOM 541 CD2 TRP A 35 3.277 -16.575 -5.613 1.00 0.00 C ATOM 542 NE1 TRP A 35 5.481 -16.958 -5.586 1.00 0.00 N ATOM 543 CE2 TRP A 35 4.427 -16.677 -6.414 1.00 0.00 C ATOM 544 CE3 TRP A 35 2.055 -16.287 -6.221 1.00 0.00 C ATOM 545 CZ2 TRP A 35 4.388 -16.500 -7.792 1.00 0.00 C ATOM 546 CZ3 TRP A 35 2.018 -16.115 -7.591 1.00 0.00 C ATOM 547 CH2 TRP A 35 3.179 -16.223 -8.362 1.00 0.00 C ATOM 0 H TRP A 35 1.284 -15.938 -1.245 1.00 0.00 H new ATOM 0 HA TRP A 35 4.162 -16.055 -1.581 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.810 -17.774 -2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 35 1.771 -16.595 -3.361 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.629 -17.276 -3.433 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.450 -17.080 -5.879 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.154 -16.200 -5.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.283 -16.579 -8.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.078 -15.894 -8.074 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.118 -16.084 -9.431 1.00 0.00 H new ATOM 558 N CYS A 36 4.377 -13.626 -2.192 1.00 0.00 N ATOM 559 CA CYS A 36 4.668 -12.314 -2.742 1.00 0.00 C ATOM 560 C CYS A 36 6.166 -12.137 -2.966 1.00 0.00 C ATOM 561 O CYS A 36 6.873 -11.563 -2.136 1.00 0.00 O ATOM 562 CB CYS A 36 4.122 -11.218 -1.824 1.00 0.00 C ATOM 563 SG CYS A 36 4.556 -11.428 -0.081 1.00 0.00 S ATOM 0 H CYS A 36 4.985 -13.906 -1.422 1.00 0.00 H new ATOM 0 HA CYS A 36 4.173 -12.231 -3.710 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.496 -10.253 -2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.036 -11.190 -1.916 1.00 0.00 H new ATOM 0 HG CYS A 36 3.606 -10.946 0.664 1.00 0.00 H new ATOM 569 N GLY A 37 6.637 -12.641 -4.098 1.00 0.00 N ATOM 570 CA GLY A 37 8.053 -12.593 -4.420 1.00 0.00 C ATOM 571 C GLY A 37 8.611 -11.182 -4.424 1.00 0.00 C ATOM 572 O GLY A 37 9.449 -10.846 -3.584 1.00 0.00 O ATOM 0 H GLY A 37 6.057 -13.088 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.605 -13.194 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.213 -13.044 -5.399 1.00 0.00 H new ATOM 576 N PRO A 38 8.157 -10.321 -5.356 1.00 0.00 N ATOM 577 CA PRO A 38 8.612 -8.932 -5.445 1.00 0.00 C ATOM 578 C PRO A 38 8.464 -8.174 -4.127 1.00 0.00 C ATOM 579 O PRO A 38 9.318 -7.359 -3.780 1.00 0.00 O ATOM 580 CB PRO A 38 7.710 -8.313 -6.522 1.00 0.00 C ATOM 581 CG PRO A 38 6.615 -9.299 -6.758 1.00 0.00 C ATOM 582 CD PRO A 38 7.182 -10.641 -6.408 1.00 0.00 C ATOM 0 HA PRO A 38 9.675 -8.880 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.308 -7.355 -6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.269 -8.124 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.745 -9.071 -6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.285 -9.274 -7.797 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.412 -11.324 -6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.656 -11.116 -7.267 1.00 0.00 H new ATOM 590 N CYS A 39 7.393 -8.451 -3.389 1.00 0.00 N ATOM 591 CA CYS A 39 7.161 -7.784 -2.114 1.00 0.00 C ATOM 592 C CYS A 39 8.252 -8.151 -1.114 1.00 0.00 C ATOM 593 O CYS A 39 8.866 -7.278 -0.509 1.00 0.00 O ATOM 594 CB CYS A 39 5.783 -8.143 -1.554 1.00 0.00 C ATOM 595 SG CYS A 39 5.398 -7.356 0.030 1.00 0.00 S ATOM 0 H CYS A 39 6.677 -9.129 -3.651 1.00 0.00 H new ATOM 0 HA CYS A 39 7.191 -6.708 -2.284 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.022 -7.860 -2.282 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.723 -9.225 -1.434 1.00 0.00 H new ATOM 0 HG CYS A 39 4.212 -7.720 0.419 1.00 0.00 H new ATOM 601 N LYS A 40 8.512 -9.446 -0.961 1.00 0.00 N ATOM 602 CA LYS A 40 9.546 -9.905 -0.039 1.00 0.00 C ATOM 603 C LYS A 40 10.926 -9.473 -0.515 1.00 0.00 C ATOM 604 O LYS A 40 11.834 -9.260 0.291 1.00 0.00 O ATOM 605 CB LYS A 40 9.484 -11.425 0.144 1.00 0.00 C ATOM 606 CG LYS A 40 8.254 -11.884 0.910 1.00 0.00 C ATOM 607 CD LYS A 40 8.140 -11.151 2.237 1.00 0.00 C ATOM 608 CE LYS A 40 6.887 -11.541 2.997 1.00 0.00 C ATOM 609 NZ LYS A 40 6.740 -10.759 4.253 1.00 0.00 N ATOM 0 H LYS A 40 8.025 -10.191 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 40 9.361 -9.442 0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.494 -11.903 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.378 -11.758 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.360 -11.705 0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.310 -12.958 1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.016 -11.368 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.135 -10.076 2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.013 -11.382 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.920 -12.605 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.872 -11.053 4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.562 -10.931 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.683 -9.746 4.026 1.00 0.00 H new ATOM 623 N ARG A 41 11.070 -9.322 -1.824 1.00 0.00 N ATOM 624 CA ARG A 41 12.308 -8.829 -2.408 1.00 0.00 C ATOM 625 C ARG A 41 12.587 -7.402 -1.941 1.00 0.00 C ATOM 626 O ARG A 41 13.698 -7.082 -1.513 1.00 0.00 O ATOM 627 CB ARG A 41 12.235 -8.881 -3.935 1.00 0.00 C ATOM 628 CG ARG A 41 13.544 -8.551 -4.617 1.00 0.00 C ATOM 629 CD ARG A 41 14.570 -9.607 -4.301 1.00 0.00 C ATOM 630 NE ARG A 41 15.888 -9.290 -4.844 1.00 0.00 N ATOM 631 CZ ARG A 41 16.871 -10.180 -4.974 1.00 0.00 C ATOM 632 NH1 ARG A 41 16.665 -11.453 -4.656 1.00 0.00 N ATOM 633 NH2 ARG A 41 18.060 -9.797 -5.429 1.00 0.00 N ATOM 0 H ARG A 41 10.340 -9.535 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 41 13.125 -9.470 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.917 -9.878 -4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.471 -8.183 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.396 -8.487 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.900 -7.576 -4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.645 -9.723 -3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.236 -10.564 -4.702 1.00 0.00 H new ATOM 0 HE ARG A 41 16.067 -8.331 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.753 -11.751 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.419 -12.132 -4.756 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.220 -8.821 -5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.812 -10.479 -5.528 1.00 0.00 H new ATOM 647 N LEU A 42 11.574 -6.550 -2.005 1.00 0.00 N ATOM 648 CA LEU A 42 11.734 -5.166 -1.588 1.00 0.00 C ATOM 649 C LEU A 42 11.682 -5.038 -0.068 1.00 0.00 C ATOM 650 O LEU A 42 12.169 -4.062 0.491 1.00 0.00 O ATOM 651 CB LEU A 42 10.701 -4.254 -2.269 1.00 0.00 C ATOM 652 CG LEU A 42 9.224 -4.635 -2.116 1.00 0.00 C ATOM 653 CD1 LEU A 42 8.646 -4.107 -0.813 1.00 0.00 C ATOM 654 CD2 LEU A 42 8.425 -4.104 -3.289 1.00 0.00 C ATOM 0 H LEU A 42 10.641 -6.790 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 42 12.721 -4.834 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.832 -3.245 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.932 -4.217 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 42 9.160 -5.723 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.598 -4.395 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.200 -4.527 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.726 -3.020 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.377 -4.380 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.512 -3.018 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.810 -4.531 -4.215 1.00 0.00 H new ATOM 666 N SER A 43 11.112 -6.037 0.596 1.00 0.00 N ATOM 667 CA SER A 43 11.029 -6.046 2.056 1.00 0.00 C ATOM 668 C SER A 43 12.412 -5.966 2.699 1.00 0.00 C ATOM 669 O SER A 43 12.566 -5.431 3.792 1.00 0.00 O ATOM 670 CB SER A 43 10.297 -7.297 2.548 1.00 0.00 C ATOM 671 OG SER A 43 8.950 -7.299 2.112 1.00 0.00 O ATOM 0 H SER A 43 10.699 -6.854 0.147 1.00 0.00 H new ATOM 0 HA SER A 43 10.465 -5.162 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.804 -8.189 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.331 -7.338 3.637 1.00 0.00 H new ATOM 0 HG SER A 43 8.915 -7.082 1.157 1.00 0.00 H new ATOM 677 N LYS A 44 13.422 -6.494 2.024 1.00 0.00 N ATOM 678 CA LYS A 44 14.769 -6.474 2.574 1.00 0.00 C ATOM 679 C LYS A 44 15.423 -5.104 2.391 1.00 0.00 C ATOM 680 O LYS A 44 15.996 -4.555 3.328 1.00 0.00 O ATOM 681 CB LYS A 44 15.639 -7.557 1.932 1.00 0.00 C ATOM 682 CG LYS A 44 17.033 -7.646 2.535 1.00 0.00 C ATOM 683 CD LYS A 44 17.864 -8.764 1.919 1.00 0.00 C ATOM 684 CE LYS A 44 18.206 -8.493 0.463 1.00 0.00 C ATOM 685 NZ LYS A 44 17.184 -9.036 -0.470 1.00 0.00 N ATOM 0 H LYS A 44 13.338 -6.935 1.108 1.00 0.00 H new ATOM 0 HA LYS A 44 14.687 -6.677 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.143 -8.522 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.725 -7.358 0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.548 -6.695 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.951 -7.808 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.785 -8.886 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.316 -9.704 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.300 -7.418 0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.176 -8.934 0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.656 -9.553 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.552 -9.682 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.628 -8.253 -0.870 1.00 0.00 H new ATOM 699 N VAL A 45 15.322 -4.555 1.187 1.00 0.00 N ATOM 700 CA VAL A 45 16.014 -3.316 0.846 1.00 0.00 C ATOM 701 C VAL A 45 15.194 -2.059 1.153 1.00 0.00 C ATOM 702 O VAL A 45 15.732 -1.066 1.632 1.00 0.00 O ATOM 703 CB VAL A 45 16.418 -3.302 -0.642 1.00 0.00 C ATOM 704 CG1 VAL A 45 17.589 -4.239 -0.885 1.00 0.00 C ATOM 705 CG2 VAL A 45 15.244 -3.682 -1.535 1.00 0.00 C ATOM 0 H VAL A 45 14.766 -4.949 0.428 1.00 0.00 H new ATOM 0 HA VAL A 45 16.902 -3.293 1.477 1.00 0.00 H new ATOM 0 HB VAL A 45 16.722 -2.286 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 45 17.860 -4.216 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 45 18.441 -3.920 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 45 17.307 -5.254 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 45 15.559 -3.663 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 45 14.900 -4.684 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.431 -2.971 -1.389 1.00 0.00 H new ATOM 715 N VAL A 46 13.904 -2.094 0.873 1.00 0.00 N ATOM 716 CA VAL A 46 13.060 -0.923 1.074 1.00 0.00 C ATOM 717 C VAL A 46 12.691 -0.766 2.546 1.00 0.00 C ATOM 718 O VAL A 46 12.579 0.350 3.050 1.00 0.00 O ATOM 719 CB VAL A 46 11.773 -0.991 0.216 1.00 0.00 C ATOM 720 CG1 VAL A 46 10.916 0.253 0.414 1.00 0.00 C ATOM 721 CG2 VAL A 46 12.125 -1.160 -1.253 1.00 0.00 C ATOM 0 H VAL A 46 13.417 -2.913 0.508 1.00 0.00 H new ATOM 0 HA VAL A 46 13.636 -0.054 0.756 1.00 0.00 H new ATOM 0 HB VAL A 46 11.195 -1.856 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.019 0.178 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.632 0.336 1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.484 1.136 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.210 -1.206 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.727 -0.313 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.691 -2.082 -1.388 1.00 0.00 H new ATOM 731 N PHE A 47 12.544 -1.884 3.243 1.00 0.00 N ATOM 732 CA PHE A 47 12.110 -1.860 4.638 1.00 0.00 C ATOM 733 C PHE A 47 13.295 -1.793 5.600 1.00 0.00 C ATOM 734 O PHE A 47 13.164 -2.122 6.777 1.00 0.00 O ATOM 735 CB PHE A 47 11.247 -3.083 4.959 1.00 0.00 C ATOM 736 CG PHE A 47 9.868 -3.036 4.359 1.00 0.00 C ATOM 737 CD1 PHE A 47 9.692 -3.007 2.986 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.747 -3.028 5.172 1.00 0.00 C ATOM 739 CE1 PHE A 47 8.427 -2.969 2.434 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.479 -2.990 4.627 1.00 0.00 C ATOM 741 CZ PHE A 47 7.318 -2.961 3.256 1.00 0.00 C ATOM 0 H PHE A 47 12.717 -2.817 2.870 1.00 0.00 H new ATOM 0 HA PHE A 47 11.514 -0.957 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.757 -3.978 4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.158 -3.177 6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.556 -3.014 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.866 -3.052 6.245 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.305 -2.946 1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.613 -2.983 5.273 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.327 -2.932 2.828 1.00 0.00 H new ATOM 751 N LYS A 48 14.450 -1.378 5.107 1.00 0.00 N ATOM 752 CA LYS A 48 15.579 -1.109 5.975 1.00 0.00 C ATOM 753 C LYS A 48 15.907 0.379 5.966 1.00 0.00 C ATOM 754 O LYS A 48 16.689 0.866 6.784 1.00 0.00 O ATOM 755 CB LYS A 48 16.789 -1.936 5.557 1.00 0.00 C ATOM 756 CG LYS A 48 17.234 -1.752 4.125 1.00 0.00 C ATOM 757 CD LYS A 48 18.219 -0.598 3.975 1.00 0.00 C ATOM 758 CE LYS A 48 18.779 -0.522 2.565 1.00 0.00 C ATOM 759 NZ LYS A 48 19.759 0.585 2.412 1.00 0.00 N ATOM 0 H LYS A 48 14.628 -1.221 4.115 1.00 0.00 H new ATOM 0 HA LYS A 48 15.313 -1.396 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.623 -1.687 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.561 -2.990 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.697 -2.672 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.363 -1.569 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.722 0.340 4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.036 -0.721 4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.259 -1.468 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.962 -0.382 1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.116 0.600 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.295 1.491 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.553 0.439 3.068 1.00 0.00 H new ATOM 773 N ASP A 49 15.296 1.088 5.026 1.00 0.00 N ATOM 774 CA ASP A 49 15.520 2.521 4.860 1.00 0.00 C ATOM 775 C ASP A 49 14.498 3.316 5.663 1.00 0.00 C ATOM 776 O ASP A 49 13.299 3.270 5.377 1.00 0.00 O ATOM 777 CB ASP A 49 15.426 2.907 3.381 1.00 0.00 C ATOM 778 CG ASP A 49 15.920 4.315 3.115 1.00 0.00 C ATOM 779 OD1 ASP A 49 15.183 5.279 3.393 1.00 0.00 O ATOM 780 OD2 ASP A 49 17.054 4.461 2.615 1.00 0.00 O ATOM 0 H ASP A 49 14.634 0.690 4.360 1.00 0.00 H new ATOM 0 HA ASP A 49 16.519 2.755 5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.009 2.203 2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.391 2.821 3.052 1.00 0.00 H new ATOM 785 N SER A 50 14.970 4.041 6.663 1.00 0.00 N ATOM 786 CA SER A 50 14.088 4.792 7.542 1.00 0.00 C ATOM 787 C SER A 50 13.451 5.976 6.808 1.00 0.00 C ATOM 788 O SER A 50 12.313 6.346 7.086 1.00 0.00 O ATOM 789 CB SER A 50 14.866 5.276 8.769 1.00 0.00 C ATOM 790 OG SER A 50 14.005 5.829 9.752 1.00 0.00 O ATOM 0 H SER A 50 15.961 4.126 6.887 1.00 0.00 H new ATOM 0 HA SER A 50 13.283 4.133 7.867 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.422 4.443 9.199 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.598 6.024 8.464 1.00 0.00 H new ATOM 0 HG SER A 50 14.535 6.126 10.521 1.00 0.00 H new ATOM 796 N LEU A 51 14.178 6.547 5.854 1.00 0.00 N ATOM 797 CA LEU A 51 13.710 7.728 5.142 1.00 0.00 C ATOM 798 C LEU A 51 12.549 7.394 4.214 1.00 0.00 C ATOM 799 O LEU A 51 11.578 8.147 4.128 1.00 0.00 O ATOM 800 CB LEU A 51 14.850 8.375 4.351 1.00 0.00 C ATOM 801 CG LEU A 51 15.836 9.213 5.173 1.00 0.00 C ATOM 802 CD1 LEU A 51 15.094 10.270 5.977 1.00 0.00 C ATOM 803 CD2 LEU A 51 16.676 8.335 6.088 1.00 0.00 C ATOM 0 H LEU A 51 15.094 6.210 5.557 1.00 0.00 H new ATOM 0 HA LEU A 51 13.354 8.439 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.407 7.588 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.417 9.011 3.579 1.00 0.00 H new ATOM 0 HG LEU A 51 16.512 9.714 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 51 15.809 10.856 6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.550 10.927 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 51 14.391 9.785 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.365 8.958 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.023 7.795 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.242 7.622 5.489 1.00 0.00 H new ATOM 815 N VAL A 52 12.654 6.271 3.515 1.00 0.00 N ATOM 816 CA VAL A 52 11.569 5.799 2.663 1.00 0.00 C ATOM 817 C VAL A 52 10.326 5.519 3.504 1.00 0.00 C ATOM 818 O VAL A 52 9.214 5.906 3.142 1.00 0.00 O ATOM 819 CB VAL A 52 11.967 4.527 1.879 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.785 3.980 1.095 1.00 0.00 C ATOM 821 CG2 VAL A 52 13.132 4.818 0.942 1.00 0.00 C ATOM 0 H VAL A 52 13.478 5.670 3.521 1.00 0.00 H new ATOM 0 HA VAL A 52 11.353 6.585 1.939 1.00 0.00 H new ATOM 0 HB VAL A 52 12.279 3.771 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.091 3.086 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.977 3.729 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.438 4.733 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.398 3.911 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.844 5.594 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.990 5.158 1.523 1.00 0.00 H new ATOM 831 N ALA A 53 10.531 4.867 4.641 1.00 0.00 N ATOM 832 CA ALA A 53 9.441 4.573 5.562 1.00 0.00 C ATOM 833 C ALA A 53 8.796 5.858 6.071 1.00 0.00 C ATOM 834 O ALA A 53 7.572 5.996 6.056 1.00 0.00 O ATOM 835 CB ALA A 53 9.947 3.738 6.728 1.00 0.00 C ATOM 0 H ALA A 53 11.444 4.531 4.948 1.00 0.00 H new ATOM 0 HA ALA A 53 8.684 4.003 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.122 3.526 7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.358 2.801 6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.723 4.288 7.260 1.00 0.00 H new ATOM 841 N ASP A 54 9.631 6.792 6.512 1.00 0.00 N ATOM 842 CA ASP A 54 9.172 8.094 6.995 1.00 0.00 C ATOM 843 C ASP A 54 8.358 8.821 5.928 1.00 0.00 C ATOM 844 O ASP A 54 7.296 9.383 6.210 1.00 0.00 O ATOM 845 CB ASP A 54 10.378 8.945 7.410 1.00 0.00 C ATOM 846 CG ASP A 54 10.010 10.374 7.745 1.00 0.00 C ATOM 847 OD1 ASP A 54 9.428 10.608 8.824 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.326 11.274 6.939 1.00 0.00 O ATOM 0 H ASP A 54 10.643 6.671 6.546 1.00 0.00 H new ATOM 0 HA ASP A 54 8.527 7.933 7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.857 8.487 8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.110 8.945 6.603 1.00 0.00 H new ATOM 853 N TYR A 55 8.855 8.769 4.699 1.00 0.00 N ATOM 854 CA TYR A 55 8.213 9.419 3.562 1.00 0.00 C ATOM 855 C TYR A 55 6.769 8.945 3.396 1.00 0.00 C ATOM 856 O TYR A 55 5.851 9.755 3.225 1.00 0.00 O ATOM 857 CB TYR A 55 9.016 9.124 2.291 1.00 0.00 C ATOM 858 CG TYR A 55 8.586 9.911 1.073 1.00 0.00 C ATOM 859 CD1 TYR A 55 8.761 11.286 1.019 1.00 0.00 C ATOM 860 CD2 TYR A 55 8.026 9.277 -0.030 1.00 0.00 C ATOM 861 CE1 TYR A 55 8.389 12.011 -0.096 1.00 0.00 C ATOM 862 CE2 TYR A 55 7.649 9.997 -1.151 1.00 0.00 C ATOM 863 CZ TYR A 55 7.833 11.363 -1.177 1.00 0.00 C ATOM 864 OH TYR A 55 7.469 12.087 -2.291 1.00 0.00 O ATOM 0 H TYR A 55 9.715 8.275 4.461 1.00 0.00 H new ATOM 0 HA TYR A 55 8.191 10.494 3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.068 9.330 2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.936 8.060 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.196 11.799 1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.883 8.207 -0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.533 13.081 -0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.213 9.491 -2.000 1.00 0.00 H new ATOM 0 HH TYR A 55 7.093 11.483 -2.965 1.00 0.00 H new ATOM 874 N PHE A 56 6.567 7.633 3.451 1.00 0.00 N ATOM 875 CA PHE A 56 5.238 7.059 3.301 1.00 0.00 C ATOM 876 C PHE A 56 4.394 7.266 4.550 1.00 0.00 C ATOM 877 O PHE A 56 3.218 7.606 4.457 1.00 0.00 O ATOM 878 CB PHE A 56 5.323 5.567 2.978 1.00 0.00 C ATOM 879 CG PHE A 56 5.730 5.279 1.562 1.00 0.00 C ATOM 880 CD1 PHE A 56 4.856 5.527 0.515 1.00 0.00 C ATOM 881 CD2 PHE A 56 6.978 4.756 1.278 1.00 0.00 C ATOM 882 CE1 PHE A 56 5.222 5.258 -0.789 1.00 0.00 C ATOM 883 CE2 PHE A 56 7.352 4.486 -0.025 1.00 0.00 C ATOM 884 CZ PHE A 56 6.473 4.738 -1.059 1.00 0.00 C ATOM 0 H PHE A 56 7.308 6.948 3.599 1.00 0.00 H new ATOM 0 HA PHE A 56 4.756 7.577 2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.037 5.098 3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.353 5.107 3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.878 5.935 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.669 4.556 2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.532 5.454 -1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.330 4.079 -0.234 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.763 4.529 -2.078 1.00 0.00 H new ATOM 894 N ASN A 57 5.007 7.073 5.712 1.00 0.00 N ATOM 895 CA ASN A 57 4.292 7.149 6.987 1.00 0.00 C ATOM 896 C ASN A 57 3.705 8.536 7.223 1.00 0.00 C ATOM 897 O ASN A 57 2.607 8.674 7.763 1.00 0.00 O ATOM 898 CB ASN A 57 5.231 6.785 8.142 1.00 0.00 C ATOM 899 CG ASN A 57 4.528 6.757 9.488 1.00 0.00 C ATOM 900 OD1 ASN A 57 4.430 7.773 10.179 1.00 0.00 O ATOM 901 ND2 ASN A 57 4.048 5.588 9.876 1.00 0.00 N ATOM 0 H ASN A 57 6.001 6.862 5.801 1.00 0.00 H new ATOM 0 HA ASN A 57 3.469 6.436 6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.675 5.808 7.949 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.049 7.505 8.180 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.576 5.504 10.776 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.149 4.770 9.275 1.00 0.00 H new ATOM 908 N ARG A 58 4.440 9.562 6.820 1.00 0.00 N ATOM 909 CA ARG A 58 4.013 10.933 7.056 1.00 0.00 C ATOM 910 C ARG A 58 3.042 11.420 5.987 1.00 0.00 C ATOM 911 O ARG A 58 1.997 11.983 6.307 1.00 0.00 O ATOM 912 CB ARG A 58 5.223 11.870 7.127 1.00 0.00 C ATOM 913 CG ARG A 58 5.772 12.059 8.533 1.00 0.00 C ATOM 914 CD ARG A 58 6.206 10.745 9.158 1.00 0.00 C ATOM 915 NE ARG A 58 6.595 10.910 10.556 1.00 0.00 N ATOM 916 CZ ARG A 58 7.047 9.926 11.329 1.00 0.00 C ATOM 917 NH1 ARG A 58 7.176 8.696 10.845 1.00 0.00 N ATOM 918 NH2 ARG A 58 7.371 10.167 12.592 1.00 0.00 N ATOM 0 H ARG A 58 5.330 9.472 6.331 1.00 0.00 H new ATOM 0 HA ARG A 58 3.491 10.946 8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.014 11.476 6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.942 12.843 6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.620 12.743 8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.011 12.524 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.391 10.024 9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.043 10.334 8.594 1.00 0.00 H new ATOM 0 HE ARG A 58 6.515 11.840 10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.928 8.501 9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.523 7.946 11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.274 11.108 12.973 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.717 9.411 13.183 1.00 0.00 H new ATOM 932 N HIS A 59 3.372 11.181 4.723 1.00 0.00 N ATOM 933 CA HIS A 59 2.613 11.774 3.623 1.00 0.00 C ATOM 934 C HIS A 59 1.379 10.949 3.256 1.00 0.00 C ATOM 935 O HIS A 59 0.473 11.452 2.600 1.00 0.00 O ATOM 936 CB HIS A 59 3.507 11.973 2.394 1.00 0.00 C ATOM 937 CG HIS A 59 4.575 13.011 2.590 1.00 0.00 C ATOM 938 ND1 HIS A 59 4.585 14.219 1.928 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.672 13.016 3.386 1.00 0.00 C ATOM 940 CE1 HIS A 59 5.639 14.918 2.302 1.00 0.00 C ATOM 941 NE2 HIS A 59 6.313 14.212 3.188 1.00 0.00 N ATOM 0 H HIS A 59 4.150 10.588 4.434 1.00 0.00 H new ATOM 0 HA HIS A 59 2.261 12.746 3.968 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.977 11.023 2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.886 12.259 1.545 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.983 12.225 4.052 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.905 15.901 1.943 1.00 0.00 H new ATOM 0 HE2 HIS A 59 7.172 14.508 3.651 1.00 0.00 H new ATOM 950 N PHE A 60 1.340 9.694 3.678 1.00 0.00 N ATOM 951 CA PHE A 60 0.198 8.831 3.392 1.00 0.00 C ATOM 952 C PHE A 60 -0.182 8.011 4.616 1.00 0.00 C ATOM 953 O PHE A 60 0.538 7.991 5.614 1.00 0.00 O ATOM 954 CB PHE A 60 0.501 7.887 2.221 1.00 0.00 C ATOM 955 CG PHE A 60 0.506 8.556 0.877 1.00 0.00 C ATOM 956 CD1 PHE A 60 -0.684 8.782 0.203 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.692 8.953 0.286 1.00 0.00 C ATOM 958 CE1 PHE A 60 -0.686 9.394 -1.035 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.695 9.565 -0.953 1.00 0.00 C ATOM 960 CZ PHE A 60 0.504 9.785 -1.613 1.00 0.00 C ATOM 0 H PHE A 60 2.082 9.249 4.218 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.638 9.476 3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.473 7.421 2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.239 7.087 2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.618 8.477 0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.627 8.783 0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.619 9.566 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.628 9.870 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.503 10.263 -2.581 1.00 0.00 H new ATOM 970 N VAL A 61 -1.329 7.357 4.544 1.00 0.00 N ATOM 971 CA VAL A 61 -1.745 6.434 5.585 1.00 0.00 C ATOM 972 C VAL A 61 -1.288 5.025 5.229 1.00 0.00 C ATOM 973 O VAL A 61 -1.623 4.506 4.160 1.00 0.00 O ATOM 974 CB VAL A 61 -3.274 6.447 5.779 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.687 5.499 6.893 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.763 7.857 6.067 1.00 0.00 C ATOM 0 H VAL A 61 -1.990 7.449 3.773 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.285 6.753 6.520 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.737 6.104 4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.770 5.526 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.374 4.485 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.213 5.805 7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.845 7.847 6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.288 8.228 6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.507 8.509 5.231 1.00 0.00 H new ATOM 986 N ASN A 62 -0.500 4.425 6.108 1.00 0.00 N ATOM 987 CA ASN A 62 0.033 3.091 5.870 1.00 0.00 C ATOM 988 C ASN A 62 -0.986 2.042 6.275 1.00 0.00 C ATOM 989 O ASN A 62 -1.340 1.940 7.448 1.00 0.00 O ATOM 990 CB ASN A 62 1.326 2.867 6.660 1.00 0.00 C ATOM 991 CG ASN A 62 2.295 4.031 6.566 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.296 4.915 7.422 1.00 0.00 O ATOM 993 ND2 ASN A 62 3.107 4.052 5.520 1.00 0.00 N ATOM 0 H ASN A 62 -0.215 4.841 6.994 1.00 0.00 H new ATOM 0 HA ASN A 62 0.251 3.003 4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.078 2.693 7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.816 1.965 6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.766 4.822 5.401 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.074 3.299 4.833 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.463 1.269 5.312 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.439 0.230 5.600 1.00 0.00 C ATOM 1002 C LEU A 63 -1.980 -1.122 5.069 1.00 0.00 C ATOM 1003 O LEU A 63 -1.591 -1.243 3.909 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.803 0.601 5.007 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.909 -0.437 5.216 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.079 -0.749 6.691 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.219 0.059 4.627 1.00 0.00 C ATOM 0 H LEU A 63 -1.193 1.340 4.331 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.535 0.150 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.126 1.546 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.682 0.769 3.937 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.620 -1.354 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.870 -1.489 6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.145 -1.145 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.345 0.162 7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.995 -0.690 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.509 0.989 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.094 0.234 3.558 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.018 -2.127 5.934 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.692 -3.497 5.550 1.00 0.00 C ATOM 1021 C LYS A 64 -2.930 -4.378 5.656 1.00 0.00 C ATOM 1022 O LYS A 64 -3.597 -4.405 6.695 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.578 -4.055 6.446 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.225 -5.510 6.166 1.00 0.00 C ATOM 1025 CD LYS A 64 0.927 -5.980 7.043 1.00 0.00 C ATOM 1026 CE LYS A 64 1.227 -7.460 6.843 1.00 0.00 C ATOM 1027 NZ LYS A 64 0.133 -8.328 7.355 1.00 0.00 N ATOM 0 H LYS A 64 -2.274 -2.019 6.915 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.343 -3.493 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.316 -3.444 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.883 -3.960 7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.098 -6.138 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.044 -5.625 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.818 -5.395 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.684 -5.797 8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.380 -7.658 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.157 -7.713 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.422 -9.325 7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.065 -8.088 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.724 -8.179 6.785 1.00 0.00 H new ATOM 1041 N MET A 65 -3.240 -5.096 4.586 1.00 0.00 N ATOM 1042 CA MET A 65 -4.381 -5.999 4.584 1.00 0.00 C ATOM 1043 C MET A 65 -4.061 -7.257 3.783 1.00 0.00 C ATOM 1044 O MET A 65 -3.696 -7.188 2.612 1.00 0.00 O ATOM 1045 CB MET A 65 -5.623 -5.290 4.035 1.00 0.00 C ATOM 1046 CG MET A 65 -6.883 -6.138 4.081 1.00 0.00 C ATOM 1047 SD MET A 65 -8.386 -5.144 4.031 1.00 0.00 S ATOM 1048 CE MET A 65 -8.264 -4.274 5.594 1.00 0.00 C ATOM 0 H MET A 65 -2.718 -5.071 3.710 1.00 0.00 H new ATOM 0 HA MET A 65 -4.594 -6.300 5.610 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.790 -4.376 4.605 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.434 -4.992 3.004 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.882 -6.831 3.240 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.879 -6.740 4.990 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.264 -4.044 5.961 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.746 -4.901 6.320 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.707 -3.348 5.452 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.186 -8.400 4.440 1.00 0.00 N ATOM 1059 CA ASP A 66 -3.783 -9.673 3.868 1.00 0.00 C ATOM 1060 C ASP A 66 -4.959 -10.369 3.193 1.00 0.00 C ATOM 1061 O ASP A 66 -6.115 -10.147 3.557 1.00 0.00 O ATOM 1062 CB ASP A 66 -3.219 -10.564 4.973 1.00 0.00 C ATOM 1063 CG ASP A 66 -2.086 -9.902 5.739 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -2.367 -9.019 6.581 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -0.914 -10.267 5.517 1.00 0.00 O ATOM 0 H ASP A 66 -4.569 -8.470 5.383 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.020 -9.489 3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.018 -10.825 5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.861 -11.496 4.535 1.00 0.00 H new ATOM 1070 N MET A 67 -4.655 -11.239 2.233 1.00 0.00 N ATOM 1071 CA MET A 67 -5.684 -11.927 1.449 1.00 0.00 C ATOM 1072 C MET A 67 -6.311 -13.081 2.227 1.00 0.00 C ATOM 1073 O MET A 67 -7.144 -13.819 1.703 1.00 0.00 O ATOM 1074 CB MET A 67 -5.095 -12.459 0.143 1.00 0.00 C ATOM 1075 CG MET A 67 -4.431 -11.393 -0.704 1.00 0.00 C ATOM 1076 SD MET A 67 -5.542 -10.034 -1.101 1.00 0.00 S ATOM 1077 CE MET A 67 -4.393 -8.903 -1.870 1.00 0.00 C ATOM 0 H MET A 67 -3.699 -11.487 1.976 1.00 0.00 H new ATOM 0 HA MET A 67 -6.463 -11.197 1.230 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.365 -13.235 0.373 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.888 -12.930 -0.438 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.561 -11.004 -0.175 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.068 -11.842 -1.628 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.939 -8.058 -2.288 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.683 -8.544 -1.125 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.855 -9.417 -2.666 1.00 0.00 H new ATOM 1087 N GLU A 68 -5.916 -13.227 3.477 1.00 0.00 N ATOM 1088 CA GLU A 68 -6.427 -14.297 4.318 1.00 0.00 C ATOM 1089 C GLU A 68 -7.245 -13.723 5.465 1.00 0.00 C ATOM 1090 O GLU A 68 -7.637 -14.439 6.387 1.00 0.00 O ATOM 1091 CB GLU A 68 -5.269 -15.131 4.868 1.00 0.00 C ATOM 1092 CG GLU A 68 -4.186 -14.300 5.538 1.00 0.00 C ATOM 1093 CD GLU A 68 -3.183 -15.152 6.279 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -2.328 -15.783 5.625 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -3.246 -15.198 7.523 1.00 0.00 O ATOM 0 H GLU A 68 -5.240 -12.616 3.936 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.071 -14.937 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.660 -15.851 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.825 -15.703 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.668 -13.707 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.648 -13.599 6.234 1.00 0.00 H new ATOM 1102 N LYS A 69 -7.511 -12.427 5.401 1.00 0.00 N ATOM 1103 CA LYS A 69 -8.248 -11.755 6.459 1.00 0.00 C ATOM 1104 C LYS A 69 -9.680 -11.481 6.027 1.00 0.00 C ATOM 1105 O LYS A 69 -9.997 -11.525 4.834 1.00 0.00 O ATOM 1106 CB LYS A 69 -7.540 -10.460 6.865 1.00 0.00 C ATOM 1107 CG LYS A 69 -6.100 -10.682 7.305 1.00 0.00 C ATOM 1108 CD LYS A 69 -6.003 -11.793 8.341 1.00 0.00 C ATOM 1109 CE LYS A 69 -4.561 -12.140 8.671 1.00 0.00 C ATOM 1110 NZ LYS A 69 -4.474 -13.341 9.544 1.00 0.00 N ATOM 0 H LYS A 69 -7.228 -11.822 4.630 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.280 -12.412 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.554 -9.766 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.094 -9.989 7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.488 -10.935 6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.698 -9.758 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.519 -11.486 9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.513 -12.681 7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.009 -12.319 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.087 -11.293 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.886 -13.125 10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.428 -13.613 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.047 -14.126 9.013 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.533 -11.182 7.000 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.959 -11.060 6.749 1.00 0.00 C ATOM 1126 C GLY A 70 -12.330 -9.907 5.836 1.00 0.00 C ATOM 1127 O GLY A 70 -13.448 -9.860 5.316 1.00 0.00 O ATOM 0 H GLY A 70 -10.259 -11.020 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.320 -11.989 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -12.475 -10.937 7.701 1.00 0.00 H new ATOM 1131 N GLU A 71 -11.416 -8.966 5.643 1.00 0.00 N ATOM 1132 CA GLU A 71 -11.674 -7.824 4.770 1.00 0.00 C ATOM 1133 C GLU A 71 -10.789 -7.875 3.529 1.00 0.00 C ATOM 1134 O GLU A 71 -10.954 -7.080 2.601 1.00 0.00 O ATOM 1135 CB GLU A 71 -11.412 -6.526 5.525 1.00 0.00 C ATOM 1136 CG GLU A 71 -12.079 -6.469 6.889 1.00 0.00 C ATOM 1137 CD GLU A 71 -11.589 -5.309 7.726 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -10.555 -5.462 8.409 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -12.241 -4.244 7.713 1.00 0.00 O ATOM 0 H GLU A 71 -10.492 -8.968 6.076 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.717 -7.865 4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.337 -6.399 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.764 -5.688 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.158 -6.388 6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.891 -7.402 7.421 1.00 0.00 H new ATOM 1146 N GLY A 72 -9.870 -8.830 3.507 1.00 0.00 N ATOM 1147 CA GLY A 72 -8.880 -8.882 2.453 1.00 0.00 C ATOM 1148 C GLY A 72 -9.445 -9.325 1.121 1.00 0.00 C ATOM 1149 O GLY A 72 -9.170 -8.709 0.088 1.00 0.00 O ATOM 0 H GLY A 72 -9.793 -9.572 4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.429 -7.896 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.083 -9.565 2.747 1.00 0.00 H new ATOM 1153 N VAL A 73 -10.240 -10.386 1.138 1.00 0.00 N ATOM 1154 CA VAL A 73 -10.768 -10.949 -0.098 1.00 0.00 C ATOM 1155 C VAL A 73 -11.778 -10.002 -0.746 1.00 0.00 C ATOM 1156 O VAL A 73 -12.052 -10.104 -1.946 1.00 0.00 O ATOM 1157 CB VAL A 73 -11.392 -12.355 0.104 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -10.482 -13.223 0.960 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -12.789 -12.284 0.701 1.00 0.00 C ATOM 0 H VAL A 73 -10.532 -10.871 1.986 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.919 -11.070 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.490 -12.811 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.935 -14.206 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.515 -13.332 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.343 -12.754 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.184 -13.292 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.745 -11.791 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.441 -11.717 0.036 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.323 -9.069 0.044 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.253 -8.076 -0.487 1.00 0.00 C ATOM 1171 C GLU A 74 -12.528 -7.170 -1.469 1.00 0.00 C ATOM 1172 O GLU A 74 -12.958 -6.990 -2.612 1.00 0.00 O ATOM 1173 CB GLU A 74 -13.861 -7.221 0.631 1.00 0.00 C ATOM 1174 CG GLU A 74 -14.595 -8.015 1.696 1.00 0.00 C ATOM 1175 CD GLU A 74 -15.608 -8.983 1.121 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -16.533 -8.535 0.408 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -15.486 -10.199 1.386 1.00 0.00 O ATOM 0 H GLU A 74 -12.136 -8.984 1.043 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.060 -8.609 -0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.066 -6.647 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.552 -6.503 0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.870 -8.569 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.102 -7.325 2.370 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.410 -6.621 -1.015 1.00 0.00 N ATOM 1185 CA LEU A 75 -10.603 -5.729 -1.832 1.00 0.00 C ATOM 1186 C LEU A 75 -9.979 -6.486 -2.998 1.00 0.00 C ATOM 1187 O LEU A 75 -9.863 -5.958 -4.105 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.508 -5.077 -0.984 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.004 -4.232 0.191 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -8.831 -3.582 0.910 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -10.989 -3.174 -0.285 1.00 0.00 C ATOM 0 H LEU A 75 -11.040 -6.780 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.252 -4.950 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.857 -5.861 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.898 -4.447 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.520 -4.889 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.201 -2.984 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.162 -4.355 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.289 -2.940 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.329 -2.584 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.500 -2.520 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.844 -3.659 -0.756 1.00 0.00 H new ATOM 1203 N ARG A 76 -9.604 -7.734 -2.741 1.00 0.00 N ATOM 1204 CA ARG A 76 -8.977 -8.580 -3.750 1.00 0.00 C ATOM 1205 C ARG A 76 -9.865 -8.719 -4.984 1.00 0.00 C ATOM 1206 O ARG A 76 -9.422 -8.497 -6.111 1.00 0.00 O ATOM 1207 CB ARG A 76 -8.683 -9.960 -3.162 1.00 0.00 C ATOM 1208 CG ARG A 76 -7.948 -10.883 -4.117 1.00 0.00 C ATOM 1209 CD ARG A 76 -7.693 -12.249 -3.503 1.00 0.00 C ATOM 1210 NE ARG A 76 -8.934 -12.950 -3.178 1.00 0.00 N ATOM 1211 CZ ARG A 76 -8.999 -14.040 -2.415 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -7.888 -14.590 -1.937 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -10.181 -14.581 -2.151 1.00 0.00 N ATOM 0 H ARG A 76 -9.725 -8.185 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.043 -8.108 -4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.089 -9.841 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.622 -10.428 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.531 -10.999 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.998 -10.430 -4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.108 -12.853 -4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.096 -12.133 -2.598 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.805 -12.581 -3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.981 -14.178 -2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.942 -15.425 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.030 -14.162 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.241 -15.416 -1.568 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.128 -9.066 -4.764 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.060 -9.287 -5.861 1.00 0.00 C ATOM 1229 C LYS A 77 -12.474 -7.958 -6.487 1.00 0.00 C ATOM 1230 O LYS A 77 -12.790 -7.885 -7.674 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.299 -10.041 -5.365 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.183 -10.571 -6.487 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.486 -11.149 -5.954 1.00 0.00 C ATOM 1234 CE LYS A 77 -16.412 -10.058 -5.429 1.00 0.00 C ATOM 1235 NZ LYS A 77 -16.904 -9.166 -6.514 1.00 0.00 N ATOM 0 H LYS A 77 -11.529 -9.200 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.560 -9.890 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.980 -10.876 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.889 -9.377 -4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.402 -9.766 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.645 -11.339 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.989 -11.704 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.270 -11.859 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.263 -10.517 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.884 -9.463 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.701 -8.598 -6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.136 -8.534 -6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.219 -9.742 -7.321 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.447 -6.906 -5.681 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.916 -5.594 -6.110 1.00 0.00 C ATOM 1251 C LYS A 78 -11.932 -4.932 -7.076 1.00 0.00 C ATOM 1252 O LYS A 78 -12.334 -4.205 -7.980 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.138 -4.700 -4.885 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.785 -3.358 -5.195 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.059 -2.576 -3.918 1.00 0.00 C ATOM 1256 CE LYS A 78 -14.837 -1.296 -4.185 1.00 0.00 C ATOM 1257 NZ LYS A 78 -14.073 -0.320 -5.009 1.00 0.00 N ATOM 0 H LYS A 78 -12.103 -6.935 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.859 -5.727 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.763 -5.234 -4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.178 -4.523 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.133 -2.778 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.718 -3.516 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.619 -3.202 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.114 -2.331 -3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.770 -1.542 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.104 -0.833 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.497 0.625 -4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.085 -0.291 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.103 -0.610 -6.007 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.644 -5.192 -6.895 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.625 -4.501 -7.683 1.00 0.00 C ATOM 1273 C TYR A 79 -8.851 -5.456 -8.583 1.00 0.00 C ATOM 1274 O TYR A 79 -7.794 -5.103 -9.109 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.685 -3.728 -6.754 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.430 -2.710 -5.923 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -10.113 -1.670 -6.537 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -9.492 -2.814 -4.540 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.830 -0.756 -5.795 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -10.218 -1.906 -3.791 1.00 0.00 C ATOM 1281 CZ TYR A 79 -10.884 -0.879 -4.426 1.00 0.00 C ATOM 1282 OH TYR A 79 -11.623 0.022 -3.693 1.00 0.00 O ATOM 0 H TYR A 79 -10.281 -5.866 -6.221 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.130 -3.795 -8.342 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.169 -4.427 -6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.921 -3.225 -7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.082 -1.575 -7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.966 -3.615 -4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.348 0.054 -6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.263 -2.001 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.561 -0.202 -2.741 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.395 -6.651 -8.781 1.00 0.00 N ATOM 1293 CA GLY A 80 -8.803 -7.596 -9.713 1.00 0.00 C ATOM 1294 C GLY A 80 -7.498 -8.183 -9.218 1.00 0.00 C ATOM 1295 O GLY A 80 -6.636 -8.567 -10.012 1.00 0.00 O ATOM 0 H GLY A 80 -10.237 -6.984 -8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.510 -8.404 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.631 -7.097 -10.667 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.355 -8.259 -7.906 1.00 0.00 N ATOM 1300 CA VAL A 81 -6.169 -8.838 -7.296 1.00 0.00 C ATOM 1301 C VAL A 81 -6.279 -10.357 -7.320 1.00 0.00 C ATOM 1302 O VAL A 81 -7.378 -10.901 -7.233 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.993 -8.348 -5.843 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -4.679 -8.833 -5.261 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -6.084 -6.830 -5.775 1.00 0.00 C ATOM 0 H VAL A 81 -8.050 -7.925 -7.238 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.296 -8.520 -7.867 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.801 -8.768 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.580 -8.474 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.659 -9.923 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.853 -8.451 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.958 -6.504 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.301 -6.391 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.059 -6.507 -6.141 1.00 0.00 H new ATOM 1315 N HIS A 82 -5.154 -11.048 -7.455 1.00 0.00 N ATOM 1316 CA HIS A 82 -5.183 -12.496 -7.586 1.00 0.00 C ATOM 1317 C HIS A 82 -4.275 -13.189 -6.573 1.00 0.00 C ATOM 1318 O HIS A 82 -4.763 -13.799 -5.622 1.00 0.00 O ATOM 1319 CB HIS A 82 -4.817 -12.911 -9.014 1.00 0.00 C ATOM 1320 CG HIS A 82 -5.876 -12.556 -10.017 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -5.648 -11.761 -11.120 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -7.187 -12.893 -10.067 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -6.774 -11.618 -11.797 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -7.722 -12.297 -11.179 1.00 0.00 N ATOM 0 H HIS A 82 -4.222 -10.634 -7.476 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.202 -12.819 -7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.880 -12.431 -9.297 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.645 -13.987 -9.041 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.714 -13.517 -9.360 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.897 -11.043 -12.703 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.694 -12.367 -11.480 1.00 0.00 H new ATOM 1333 N ALA A 83 -2.966 -13.094 -6.763 1.00 0.00 N ATOM 1334 CA ALA A 83 -2.029 -13.822 -5.913 1.00 0.00 C ATOM 1335 C ALA A 83 -0.675 -13.128 -5.850 1.00 0.00 C ATOM 1336 O ALA A 83 0.362 -13.772 -5.709 1.00 0.00 O ATOM 1337 CB ALA A 83 -1.869 -15.247 -6.423 1.00 0.00 C ATOM 0 H ALA A 83 -2.530 -12.526 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.436 -13.843 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.168 -15.785 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.836 -15.750 -6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.488 -15.227 -7.444 1.00 0.00 H new ATOM 1343 N TYR A 84 -0.688 -11.811 -5.937 1.00 0.00 N ATOM 1344 CA TYR A 84 0.545 -11.035 -5.915 1.00 0.00 C ATOM 1345 C TYR A 84 0.474 -9.946 -4.855 1.00 0.00 C ATOM 1346 O TYR A 84 -0.523 -9.837 -4.136 1.00 0.00 O ATOM 1347 CB TYR A 84 0.782 -10.389 -7.279 1.00 0.00 C ATOM 1348 CG TYR A 84 0.987 -11.379 -8.405 1.00 0.00 C ATOM 1349 CD1 TYR A 84 2.248 -11.885 -8.692 1.00 0.00 C ATOM 1350 CD2 TYR A 84 -0.083 -11.804 -9.182 1.00 0.00 C ATOM 1351 CE1 TYR A 84 2.438 -12.789 -9.723 1.00 0.00 C ATOM 1352 CE2 TYR A 84 0.098 -12.707 -10.212 1.00 0.00 C ATOM 1353 CZ TYR A 84 1.359 -13.196 -10.479 1.00 0.00 C ATOM 1354 OH TYR A 84 1.542 -14.097 -11.506 1.00 0.00 O ATOM 0 H TYR A 84 -1.537 -11.253 -6.024 1.00 0.00 H new ATOM 0 HA TYR A 84 1.367 -11.711 -5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.069 -9.752 -7.520 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.657 -9.742 -7.215 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.095 -11.568 -8.101 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.072 -11.422 -8.978 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.425 -13.173 -9.934 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.745 -13.028 -10.806 1.00 0.00 H new ATOM 0 HH TYR A 84 0.682 -14.280 -11.938 1.00 0.00 H new ATOM 1364 N PRO A 85 1.551 -9.157 -4.697 1.00 0.00 N ATOM 1365 CA PRO A 85 1.475 -7.893 -3.980 1.00 0.00 C ATOM 1366 C PRO A 85 0.820 -6.816 -4.839 1.00 0.00 C ATOM 1367 O PRO A 85 1.180 -6.637 -5.999 1.00 0.00 O ATOM 1368 CB PRO A 85 2.938 -7.548 -3.692 1.00 0.00 C ATOM 1369 CG PRO A 85 3.711 -8.233 -4.769 1.00 0.00 C ATOM 1370 CD PRO A 85 2.927 -9.465 -5.140 1.00 0.00 C ATOM 0 HA PRO A 85 0.871 -7.959 -3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.102 -6.471 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.240 -7.898 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.837 -7.579 -5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.709 -8.498 -4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.968 -9.657 -6.212 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.318 -10.352 -4.642 1.00 0.00 H new ATOM 1378 N THR A 86 -0.154 -6.122 -4.279 1.00 0.00 N ATOM 1379 CA THR A 86 -0.902 -5.127 -5.026 1.00 0.00 C ATOM 1380 C THR A 86 -1.003 -3.820 -4.244 1.00 0.00 C ATOM 1381 O THR A 86 -1.384 -3.811 -3.072 1.00 0.00 O ATOM 1382 CB THR A 86 -2.310 -5.659 -5.350 1.00 0.00 C ATOM 1383 OG1 THR A 86 -2.205 -6.959 -5.957 1.00 0.00 O ATOM 1384 CG2 THR A 86 -3.054 -4.721 -6.287 1.00 0.00 C ATOM 0 H THR A 86 -0.446 -6.229 -3.308 1.00 0.00 H new ATOM 0 HA THR A 86 -0.371 -4.928 -5.957 1.00 0.00 H new ATOM 0 HB THR A 86 -2.871 -5.725 -4.418 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.363 -7.020 -6.455 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.044 -5.126 -6.496 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.153 -3.742 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.498 -4.622 -7.220 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.663 -2.721 -4.903 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.644 -1.414 -4.262 1.00 0.00 C ATOM 1394 C LEU A 87 -1.961 -0.691 -4.506 1.00 0.00 C ATOM 1395 O LEU A 87 -2.449 -0.644 -5.635 1.00 0.00 O ATOM 1396 CB LEU A 87 0.521 -0.578 -4.802 1.00 0.00 C ATOM 1397 CG LEU A 87 1.897 -1.253 -4.734 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.963 -0.343 -5.323 1.00 0.00 C ATOM 1399 CD2 LEU A 87 2.243 -1.633 -3.300 1.00 0.00 C ATOM 0 H LEU A 87 -0.395 -2.709 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.511 -1.552 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.312 -0.320 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.565 0.357 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 87 1.861 -2.168 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.934 -0.836 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.724 -0.129 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.997 0.590 -4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.223 -2.110 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.261 -0.737 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.493 -2.325 -2.916 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.534 -0.132 -3.454 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.819 0.548 -3.559 1.00 0.00 C ATOM 1413 C LEU A 88 -3.709 2.007 -3.129 1.00 0.00 C ATOM 1414 O LEU A 88 -3.309 2.306 -2.003 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.873 -0.165 -2.707 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.235 -1.584 -3.157 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.225 -2.212 -2.187 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -5.807 -1.565 -4.568 1.00 0.00 C ATOM 0 H LEU A 88 -2.132 -0.134 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.124 0.520 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.515 -0.209 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.781 0.439 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.328 -2.188 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.472 -3.220 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.781 -2.258 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.132 -1.609 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.059 -2.581 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.705 -0.947 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.067 -1.153 -5.255 1.00 0.00 H new ATOM 1430 N PHE A 89 -4.061 2.907 -4.037 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.086 4.333 -3.742 1.00 0.00 C ATOM 1432 C PHE A 89 -5.527 4.779 -3.522 1.00 0.00 C ATOM 1433 O PHE A 89 -6.309 4.870 -4.470 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.452 5.129 -4.888 1.00 0.00 C ATOM 1435 CG PHE A 89 -2.013 4.779 -5.140 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -1.674 3.670 -5.900 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -0.998 5.559 -4.612 1.00 0.00 C ATOM 1438 CE1 PHE A 89 -0.351 3.347 -6.129 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.326 5.241 -4.837 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.651 4.134 -5.596 1.00 0.00 C ATOM 0 H PHE A 89 -4.335 2.672 -4.991 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.508 4.521 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.024 4.956 -5.799 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.524 6.193 -4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.454 3.051 -6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.245 6.426 -4.017 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.100 2.481 -6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.108 5.858 -4.419 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.687 3.884 -5.772 1.00 0.00 H new ATOM 1450 N ILE A 90 -5.874 5.043 -2.272 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.256 5.316 -1.904 1.00 0.00 C ATOM 1452 C ILE A 90 -7.429 6.757 -1.422 1.00 0.00 C ATOM 1453 O ILE A 90 -6.544 7.321 -0.770 1.00 0.00 O ATOM 1454 CB ILE A 90 -7.726 4.330 -0.806 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -7.523 2.883 -1.276 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.185 4.570 -0.444 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -7.910 1.848 -0.243 1.00 0.00 C ATOM 0 H ILE A 90 -5.216 5.074 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.870 5.180 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.125 4.501 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.110 2.718 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.476 2.741 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.489 3.864 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.305 5.588 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.807 4.430 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.739 0.850 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.306 1.985 0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.964 1.962 0.009 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.568 7.347 -1.770 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.909 8.699 -1.354 1.00 0.00 C ATOM 1471 C ASN A 91 -9.615 8.690 0.001 1.00 0.00 C ATOM 1472 O ASN A 91 -9.642 7.670 0.690 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.812 9.364 -2.399 1.00 0.00 C ATOM 1474 CG ASN A 91 -9.095 9.645 -3.704 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -7.910 9.973 -3.724 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -9.812 9.515 -4.807 1.00 0.00 N ATOM 0 H ASN A 91 -9.279 6.900 -2.348 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.983 9.267 -1.262 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.670 8.720 -2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.200 10.299 -1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.384 9.689 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.793 9.241 -4.748 1.00 0.00 H new ATOM 1483 N SER A 92 -10.193 9.826 0.371 1.00 0.00 N ATOM 1484 CA SER A 92 -10.850 9.971 1.663 1.00 0.00 C ATOM 1485 C SER A 92 -12.178 9.213 1.707 1.00 0.00 C ATOM 1486 O SER A 92 -12.475 8.519 2.679 1.00 0.00 O ATOM 1487 CB SER A 92 -11.076 11.453 1.945 1.00 0.00 C ATOM 1488 OG SER A 92 -9.896 12.196 1.679 1.00 0.00 O ATOM 0 H SER A 92 -10.220 10.664 -0.209 1.00 0.00 H new ATOM 0 HA SER A 92 -10.206 9.542 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.894 11.826 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.372 11.590 2.985 1.00 0.00 H new ATOM 0 HG SER A 92 -10.058 13.145 1.863 1.00 0.00 H new ATOM 1494 N SER A 93 -12.964 9.330 0.643 1.00 0.00 N ATOM 1495 CA SER A 93 -14.267 8.673 0.573 1.00 0.00 C ATOM 1496 C SER A 93 -14.138 7.307 -0.093 1.00 0.00 C ATOM 1497 O SER A 93 -15.089 6.804 -0.694 1.00 0.00 O ATOM 1498 CB SER A 93 -15.243 9.534 -0.227 1.00 0.00 C ATOM 1499 OG SER A 93 -15.305 10.858 0.277 1.00 0.00 O ATOM 0 H SER A 93 -12.723 9.874 -0.185 1.00 0.00 H new ATOM 0 HA SER A 93 -14.643 8.542 1.588 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.937 9.556 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.236 9.085 -0.195 1.00 0.00 H new ATOM 0 HG SER A 93 -15.937 11.382 -0.258 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.972 6.700 0.035 1.00 0.00 N ATOM 1506 CA GLY A 94 -12.684 5.503 -0.720 1.00 0.00 C ATOM 1507 C GLY A 94 -12.171 5.879 -2.085 1.00 0.00 C ATOM 1508 O GLY A 94 -11.276 6.710 -2.180 1.00 0.00 O ATOM 0 H GLY A 94 -12.220 7.014 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.943 4.899 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.583 4.894 -0.813 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.749 5.299 -3.134 1.00 0.00 N ATOM 1513 CA GLU A 95 -12.447 5.694 -4.511 1.00 0.00 C ATOM 1514 C GLU A 95 -10.954 5.578 -4.824 1.00 0.00 C ATOM 1515 O GLU A 95 -10.168 6.480 -4.526 1.00 0.00 O ATOM 1516 CB GLU A 95 -12.932 7.130 -4.743 1.00 0.00 C ATOM 1517 CG GLU A 95 -12.737 7.644 -6.159 1.00 0.00 C ATOM 1518 CD GLU A 95 -13.226 9.069 -6.316 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -14.451 9.269 -6.449 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -12.392 10.001 -6.279 1.00 0.00 O ATOM 0 H GLU A 95 -13.435 4.548 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.969 5.014 -5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.991 7.186 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.407 7.792 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.680 7.592 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.271 6.998 -6.856 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.560 4.461 -5.414 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.174 4.282 -5.810 1.00 0.00 C ATOM 1529 C VAL A 96 -8.806 5.259 -6.921 1.00 0.00 C ATOM 1530 O VAL A 96 -9.345 5.200 -8.030 1.00 0.00 O ATOM 1531 CB VAL A 96 -8.861 2.834 -6.250 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -8.788 1.923 -5.037 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -9.898 2.321 -7.241 1.00 0.00 C ATOM 0 H VAL A 96 -11.172 3.674 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.567 4.488 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.893 2.834 -6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.567 0.905 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.001 2.271 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.743 1.938 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.650 1.300 -7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.884 2.337 -6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.903 2.959 -8.125 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.908 6.174 -6.599 1.00 0.00 N ATOM 1544 CA VAL A 97 -7.475 7.189 -7.543 1.00 0.00 C ATOM 1545 C VAL A 97 -6.482 6.597 -8.537 1.00 0.00 C ATOM 1546 O VAL A 97 -6.402 7.026 -9.690 1.00 0.00 O ATOM 1547 CB VAL A 97 -6.855 8.402 -6.805 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -5.663 7.982 -5.957 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -6.465 9.499 -7.784 1.00 0.00 C ATOM 0 H VAL A 97 -7.462 6.234 -5.684 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.348 7.542 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.616 8.804 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.250 8.855 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.984 7.251 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.900 7.538 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.033 10.337 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.733 9.111 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.350 9.836 -8.325 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.746 5.591 -8.089 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.788 4.905 -8.940 1.00 0.00 C ATOM 1561 C TYR A 98 -4.649 3.453 -8.499 1.00 0.00 C ATOM 1562 O TYR A 98 -4.688 3.155 -7.301 1.00 0.00 O ATOM 1563 CB TYR A 98 -3.428 5.614 -8.895 1.00 0.00 C ATOM 1564 CG TYR A 98 -2.413 5.063 -9.876 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -2.503 5.351 -11.232 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -1.367 4.256 -9.447 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.581 4.850 -12.130 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.442 3.751 -10.339 1.00 0.00 C ATOM 1569 CZ TYR A 98 -0.552 4.052 -11.680 1.00 0.00 C ATOM 1570 OH TYR A 98 0.369 3.549 -12.573 1.00 0.00 O ATOM 0 H TYR A 98 -5.795 5.231 -7.136 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.150 4.926 -9.968 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.576 6.675 -9.098 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.022 5.536 -7.886 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.307 5.977 -11.590 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.276 4.019 -8.397 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.666 5.083 -13.181 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.364 3.123 -9.988 1.00 0.00 H new ATOM 0 HH TYR A 98 1.029 3.007 -12.092 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.515 2.557 -9.464 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.352 1.142 -9.174 1.00 0.00 C ATOM 1582 C ARG A 99 -3.077 0.606 -9.807 1.00 0.00 C ATOM 1583 O ARG A 99 -2.690 1.017 -10.903 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.569 0.350 -9.657 1.00 0.00 C ATOM 1585 CG ARG A 99 -6.773 0.491 -8.743 1.00 0.00 C ATOM 1586 CD ARG A 99 -8.001 -0.194 -9.316 1.00 0.00 C ATOM 1587 NE ARG A 99 -8.579 0.554 -10.431 1.00 0.00 N ATOM 1588 CZ ARG A 99 -9.595 0.117 -11.174 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -10.110 -1.090 -10.966 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -10.090 0.882 -12.138 1.00 0.00 N ATOM 0 H ARG A 99 -4.516 2.786 -10.458 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.272 1.022 -8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.839 0.686 -10.658 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.301 -0.704 -9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.541 0.064 -7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.987 1.548 -8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.733 -1.196 -9.652 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.749 -0.311 -8.532 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.180 1.466 -10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.728 -1.688 -10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.888 -1.418 -11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.693 1.805 -12.311 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.868 0.547 -12.706 1.00 0.00 H new ATOM 1604 N LEU A 100 -2.428 -0.308 -9.105 1.00 0.00 N ATOM 1605 CA LEU A 100 -1.164 -0.864 -9.550 1.00 0.00 C ATOM 1606 C LEU A 100 -0.993 -2.272 -8.987 1.00 0.00 C ATOM 1607 O LEU A 100 -0.785 -2.450 -7.785 1.00 0.00 O ATOM 1608 CB LEU A 100 -0.013 0.049 -9.097 1.00 0.00 C ATOM 1609 CG LEU A 100 1.329 -0.141 -9.818 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.215 1.069 -9.582 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.044 -1.399 -9.343 1.00 0.00 C ATOM 0 H LEU A 100 -2.761 -0.683 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.152 -0.925 -10.638 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.327 1.085 -9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.147 -0.106 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 100 1.126 -0.249 -10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.166 0.929 -10.096 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.722 1.962 -9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.394 1.186 -8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.990 -1.502 -9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.235 -1.327 -8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.419 -2.270 -9.542 1.00 0.00 H new ATOM 1623 N VAL A 101 -1.103 -3.271 -9.849 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.910 -4.651 -9.436 1.00 0.00 C ATOM 1625 C VAL A 101 0.544 -5.050 -9.637 1.00 0.00 C ATOM 1626 O VAL A 101 0.994 -5.240 -10.770 1.00 0.00 O ATOM 1627 CB VAL A 101 -1.820 -5.621 -10.222 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -1.645 -7.049 -9.723 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -3.276 -5.194 -10.122 1.00 0.00 C ATOM 0 H VAL A 101 -1.325 -3.152 -10.837 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.177 -4.719 -8.381 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.525 -5.587 -11.271 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.295 -7.715 -10.290 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.607 -7.356 -9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.907 -7.100 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.899 -5.891 -10.683 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.584 -5.193 -9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.390 -4.192 -10.535 1.00 0.00 H new ATOM 1639 N GLY A 102 1.282 -5.145 -8.542 1.00 0.00 N ATOM 1640 CA GLY A 102 2.679 -5.505 -8.617 1.00 0.00 C ATOM 1641 C GLY A 102 3.525 -4.708 -7.647 1.00 0.00 C ATOM 1642 O GLY A 102 3.024 -3.804 -6.977 1.00 0.00 O ATOM 0 H GLY A 102 0.934 -4.978 -7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.791 -6.568 -8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.041 -5.342 -9.632 1.00 0.00 H new ATOM 1646 N ALA A 103 4.803 -5.038 -7.578 1.00 0.00 N ATOM 1647 CA ALA A 103 5.730 -4.365 -6.685 1.00 0.00 C ATOM 1648 C ALA A 103 7.102 -4.267 -7.340 1.00 0.00 C ATOM 1649 O ALA A 103 7.658 -5.271 -7.787 1.00 0.00 O ATOM 1650 CB ALA A 103 5.816 -5.105 -5.360 1.00 0.00 C ATOM 0 H ALA A 103 5.226 -5.778 -8.138 1.00 0.00 H new ATOM 0 HA ALA A 103 5.367 -3.356 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.514 -4.590 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.831 -5.134 -4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.165 -6.123 -5.534 1.00 0.00 H new ATOM 1656 N GLU A 104 7.636 -3.060 -7.398 1.00 0.00 N ATOM 1657 CA GLU A 104 8.894 -2.807 -8.091 1.00 0.00 C ATOM 1658 C GLU A 104 10.051 -2.754 -7.096 1.00 0.00 C ATOM 1659 O GLU A 104 9.830 -2.712 -5.887 1.00 0.00 O ATOM 1660 CB GLU A 104 8.807 -1.480 -8.849 1.00 0.00 C ATOM 1661 CG GLU A 104 7.517 -1.300 -9.638 1.00 0.00 C ATOM 1662 CD GLU A 104 7.383 -2.264 -10.799 1.00 0.00 C ATOM 1663 OE1 GLU A 104 7.142 -3.465 -10.563 1.00 0.00 O ATOM 1664 OE2 GLU A 104 7.504 -1.822 -11.960 1.00 0.00 O ATOM 0 H GLU A 104 7.218 -2.233 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 104 9.074 -3.619 -8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.903 -0.660 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.652 -1.408 -9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.668 -1.431 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.470 -0.279 -10.016 1.00 0.00 H new ATOM 1671 N ASP A 105 11.282 -2.754 -7.605 1.00 0.00 N ATOM 1672 CA ASP A 105 12.457 -2.587 -6.756 1.00 0.00 C ATOM 1673 C ASP A 105 12.522 -1.164 -6.222 1.00 0.00 C ATOM 1674 O ASP A 105 11.823 -0.290 -6.720 1.00 0.00 O ATOM 1675 CB ASP A 105 13.752 -2.931 -7.503 1.00 0.00 C ATOM 1676 CG ASP A 105 13.890 -2.251 -8.852 1.00 0.00 C ATOM 1677 OD1 ASP A 105 14.207 -1.048 -8.897 1.00 0.00 O ATOM 1678 OD2 ASP A 105 13.723 -2.940 -9.884 1.00 0.00 O ATOM 0 H ASP A 105 11.490 -2.867 -8.597 1.00 0.00 H new ATOM 0 HA ASP A 105 12.362 -3.281 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.602 -2.654 -6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.800 -4.011 -7.646 1.00 0.00 H new ATOM 1683 N ALA A 106 13.373 -0.940 -5.223 1.00 0.00 N ATOM 1684 CA ALA A 106 13.430 0.344 -4.515 1.00 0.00 C ATOM 1685 C ALA A 106 13.430 1.561 -5.459 1.00 0.00 C ATOM 1686 O ALA A 106 12.574 2.440 -5.315 1.00 0.00 O ATOM 1687 CB ALA A 106 14.622 0.386 -3.563 1.00 0.00 C ATOM 0 H ALA A 106 14.038 -1.634 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 106 12.512 0.415 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.644 1.347 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 106 14.530 -0.415 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.544 0.256 -4.129 1.00 0.00 H new ATOM 1693 N PRO A 107 14.364 1.646 -6.438 1.00 0.00 N ATOM 1694 CA PRO A 107 14.428 2.792 -7.358 1.00 0.00 C ATOM 1695 C PRO A 107 13.178 2.913 -8.228 1.00 0.00 C ATOM 1696 O PRO A 107 12.597 3.996 -8.352 1.00 0.00 O ATOM 1697 CB PRO A 107 15.655 2.502 -8.233 1.00 0.00 C ATOM 1698 CG PRO A 107 16.429 1.468 -7.492 1.00 0.00 C ATOM 1699 CD PRO A 107 15.412 0.656 -6.745 1.00 0.00 C ATOM 0 HA PRO A 107 14.494 3.734 -6.813 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.359 2.141 -9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 107 16.249 3.402 -8.388 1.00 0.00 H new ATOM 0 HG2 PRO A 107 17.003 0.843 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 107 17.142 1.928 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.028 -0.166 -7.349 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.831 0.217 -5.840 1.00 0.00 H new ATOM 1707 N GLU A 108 12.768 1.794 -8.818 1.00 0.00 N ATOM 1708 CA GLU A 108 11.636 1.770 -9.732 1.00 0.00 C ATOM 1709 C GLU A 108 10.328 2.027 -8.984 1.00 0.00 C ATOM 1710 O GLU A 108 9.407 2.628 -9.525 1.00 0.00 O ATOM 1711 CB GLU A 108 11.587 0.419 -10.450 1.00 0.00 C ATOM 1712 CG GLU A 108 10.578 0.346 -11.587 1.00 0.00 C ATOM 1713 CD GLU A 108 10.944 1.236 -12.761 1.00 0.00 C ATOM 1714 OE1 GLU A 108 11.928 0.925 -13.460 1.00 0.00 O ATOM 1715 OE2 GLU A 108 10.243 2.241 -12.998 1.00 0.00 O ATOM 0 H GLU A 108 13.209 0.885 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 108 11.761 2.563 -10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.578 0.196 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.352 -0.357 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.500 -0.686 -11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.595 0.633 -11.213 1.00 0.00 H new ATOM 1722 N LEU A 109 10.264 1.577 -7.735 1.00 0.00 N ATOM 1723 CA LEU A 109 9.068 1.734 -6.911 1.00 0.00 C ATOM 1724 C LEU A 109 8.822 3.199 -6.584 1.00 0.00 C ATOM 1725 O LEU A 109 7.711 3.705 -6.749 1.00 0.00 O ATOM 1726 CB LEU A 109 9.214 0.938 -5.613 1.00 0.00 C ATOM 1727 CG LEU A 109 7.938 0.796 -4.776 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.845 0.087 -5.568 1.00 0.00 C ATOM 1729 CD2 LEU A 109 8.234 0.042 -3.487 1.00 0.00 C ATOM 0 H LEU A 109 11.033 1.097 -7.267 1.00 0.00 H new ATOM 0 HA LEU A 109 8.217 1.355 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.579 -0.059 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.978 1.415 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 109 7.581 1.795 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.949 -0.002 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.614 0.662 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.189 -0.907 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.319 -0.052 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.615 -0.951 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.980 0.588 -2.909 1.00 0.00 H new ATOM 1741 N LEU A 110 9.865 3.874 -6.120 1.00 0.00 N ATOM 1742 CA LEU A 110 9.768 5.292 -5.769 1.00 0.00 C ATOM 1743 C LEU A 110 9.397 6.121 -6.997 1.00 0.00 C ATOM 1744 O LEU A 110 8.619 7.073 -6.913 1.00 0.00 O ATOM 1745 CB LEU A 110 11.085 5.796 -5.171 1.00 0.00 C ATOM 1746 CG LEU A 110 11.057 7.237 -4.649 1.00 0.00 C ATOM 1747 CD1 LEU A 110 10.028 7.384 -3.540 1.00 0.00 C ATOM 1748 CD2 LEU A 110 12.432 7.655 -4.156 1.00 0.00 C ATOM 0 H LEU A 110 10.789 3.467 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 110 8.984 5.403 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.370 5.136 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.864 5.717 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 110 10.773 7.893 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.023 8.414 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.040 7.128 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.282 6.715 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.391 8.681 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 110 12.746 6.994 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.147 7.591 -4.976 1.00 0.00 H new ATOM 1760 N LYS A 111 9.945 5.742 -8.140 1.00 0.00 N ATOM 1761 CA LYS A 111 9.623 6.403 -9.392 1.00 0.00 C ATOM 1762 C LYS A 111 8.190 6.072 -9.801 1.00 0.00 C ATOM 1763 O LYS A 111 7.478 6.906 -10.358 1.00 0.00 O ATOM 1764 CB LYS A 111 10.609 5.972 -10.480 1.00 0.00 C ATOM 1765 CG LYS A 111 10.423 6.699 -11.803 1.00 0.00 C ATOM 1766 CD LYS A 111 11.578 6.431 -12.757 1.00 0.00 C ATOM 1767 CE LYS A 111 12.900 6.935 -12.194 1.00 0.00 C ATOM 1768 NZ LYS A 111 12.861 8.393 -11.909 1.00 0.00 N ATOM 0 H LYS A 111 10.616 4.979 -8.226 1.00 0.00 H new ATOM 0 HA LYS A 111 9.705 7.482 -9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.625 6.141 -10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 111 10.504 4.900 -10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 111 9.488 6.382 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.341 7.771 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.649 5.361 -12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.381 6.916 -13.713 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.135 6.392 -11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.700 6.725 -12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.827 8.740 -11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.450 8.895 -12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.278 8.566 -11.065 1.00 0.00 H new ATOM 1782 N LYS A 112 7.776 4.848 -9.499 1.00 0.00 N ATOM 1783 CA LYS A 112 6.449 4.363 -9.847 1.00 0.00 C ATOM 1784 C LYS A 112 5.365 5.167 -9.133 1.00 0.00 C ATOM 1785 O LYS A 112 4.363 5.552 -9.737 1.00 0.00 O ATOM 1786 CB LYS A 112 6.323 2.884 -9.483 1.00 0.00 C ATOM 1787 CG LYS A 112 5.358 2.116 -10.369 1.00 0.00 C ATOM 1788 CD LYS A 112 5.740 2.225 -11.835 1.00 0.00 C ATOM 1789 CE LYS A 112 7.165 1.749 -12.070 1.00 0.00 C ATOM 1790 NZ LYS A 112 7.623 2.023 -13.455 1.00 0.00 N ATOM 0 H LYS A 112 8.351 4.165 -9.006 1.00 0.00 H new ATOM 0 HA LYS A 112 6.313 4.486 -10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.307 2.419 -9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.995 2.801 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.346 1.067 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.348 2.499 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.052 1.632 -12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.641 3.260 -12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.833 2.242 -11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.227 0.679 -11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.591 2.404 -13.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.611 1.141 -14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.989 2.717 -13.900 1.00 0.00 H new ATOM 1804 N VAL A 113 5.568 5.422 -7.846 1.00 0.00 N ATOM 1805 CA VAL A 113 4.596 6.175 -7.069 1.00 0.00 C ATOM 1806 C VAL A 113 4.620 7.656 -7.450 1.00 0.00 C ATOM 1807 O VAL A 113 3.567 8.278 -7.602 1.00 0.00 O ATOM 1808 CB VAL A 113 4.805 6.001 -5.541 1.00 0.00 C ATOM 1809 CG1 VAL A 113 6.169 6.508 -5.088 1.00 0.00 C ATOM 1810 CG2 VAL A 113 3.693 6.691 -4.769 1.00 0.00 C ATOM 0 H VAL A 113 6.390 5.121 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 113 3.614 5.769 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 113 4.771 4.933 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 113 6.271 6.366 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.953 5.953 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 113 6.260 7.568 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.856 6.558 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.691 7.755 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.733 6.255 -5.046 1.00 0.00 H new ATOM 1820 N LYS A 114 5.815 8.204 -7.642 1.00 0.00 N ATOM 1821 CA LYS A 114 5.964 9.616 -7.976 1.00 0.00 C ATOM 1822 C LYS A 114 5.393 9.925 -9.355 1.00 0.00 C ATOM 1823 O LYS A 114 4.527 10.785 -9.495 1.00 0.00 O ATOM 1824 CB LYS A 114 7.427 10.036 -7.909 1.00 0.00 C ATOM 1825 CG LYS A 114 7.634 11.509 -8.213 1.00 0.00 C ATOM 1826 CD LYS A 114 9.043 11.943 -7.910 1.00 0.00 C ATOM 1827 CE LYS A 114 9.308 11.966 -6.420 1.00 0.00 C ATOM 1828 NZ LYS A 114 8.478 12.983 -5.721 1.00 0.00 N ATOM 0 H LYS A 114 6.694 7.692 -7.572 1.00 0.00 H new ATOM 0 HA LYS A 114 5.400 10.187 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.817 9.817 -6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.004 9.440 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.412 11.699 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.935 12.104 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.746 11.266 -8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.217 12.935 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.104 10.981 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.363 12.175 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.739 13.012 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.641 13.917 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.473 12.732 -5.810 1.00 0.00 H new ATOM 1842 N LEU A 115 5.859 9.199 -10.366 1.00 0.00 N ATOM 1843 CA LEU A 115 5.451 9.451 -11.746 1.00 0.00 C ATOM 1844 C LEU A 115 4.025 8.972 -12.003 1.00 0.00 C ATOM 1845 O LEU A 115 3.461 9.215 -13.071 1.00 0.00 O ATOM 1846 CB LEU A 115 6.417 8.778 -12.730 1.00 0.00 C ATOM 1847 CG LEU A 115 7.706 9.555 -13.044 1.00 0.00 C ATOM 1848 CD1 LEU A 115 7.377 10.896 -13.680 1.00 0.00 C ATOM 1849 CD2 LEU A 115 8.554 9.752 -11.795 1.00 0.00 C ATOM 0 H LEU A 115 6.520 8.430 -10.257 1.00 0.00 H new ATOM 0 HA LEU A 115 5.481 10.529 -11.903 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.692 7.803 -12.329 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.886 8.600 -13.665 1.00 0.00 H new ATOM 0 HG LEU A 115 8.287 8.964 -13.752 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.301 11.433 -13.896 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.827 10.734 -14.607 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.767 11.484 -12.994 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.458 10.305 -12.052 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.985 10.312 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.828 8.780 -11.384 1.00 0.00 H new ATOM 1861 N GLY A 116 3.448 8.287 -11.030 1.00 0.00 N ATOM 1862 CA GLY A 116 2.078 7.841 -11.153 1.00 0.00 C ATOM 1863 C GLY A 116 1.089 8.860 -10.617 1.00 0.00 C ATOM 1864 O GLY A 116 -0.105 8.787 -10.903 1.00 0.00 O ATOM 0 H GLY A 116 3.905 8.031 -10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.857 7.640 -12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 116 1.955 6.901 -10.615 1.00 0.00 H new ATOM 1868 N VAL A 117 1.589 9.818 -9.839 1.00 0.00 N ATOM 1869 CA VAL A 117 0.731 10.829 -9.227 1.00 0.00 C ATOM 1870 C VAL A 117 1.165 12.239 -9.628 1.00 0.00 C ATOM 1871 O VAL A 117 0.358 13.028 -10.124 1.00 0.00 O ATOM 1872 CB VAL A 117 0.740 10.714 -7.685 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -0.162 11.768 -7.059 1.00 0.00 C ATOM 1874 CG2 VAL A 117 0.318 9.319 -7.245 1.00 0.00 C ATOM 0 H VAL A 117 2.580 9.915 -9.618 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.281 10.650 -9.591 1.00 0.00 H new ATOM 0 HB VAL A 117 1.759 10.888 -7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.140 11.668 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.190 12.761 -7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.183 11.631 -7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.332 9.261 -6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.689 9.113 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.009 8.583 -7.656 1.00 0.00 H new ATOM 1884 N GLU A 118 2.441 12.545 -9.434 1.00 0.00 N ATOM 1885 CA GLU A 118 2.957 13.877 -9.716 1.00 0.00 C ATOM 1886 C GLU A 118 3.301 14.016 -11.190 1.00 0.00 C ATOM 1887 O GLU A 118 4.325 13.511 -11.652 1.00 0.00 O ATOM 1888 CB GLU A 118 4.191 14.174 -8.865 1.00 0.00 C ATOM 1889 CG GLU A 118 3.921 14.188 -7.371 1.00 0.00 C ATOM 1890 CD GLU A 118 5.135 14.617 -6.576 1.00 0.00 C ATOM 1891 OE1 GLU A 118 5.410 15.835 -6.522 1.00 0.00 O ATOM 1892 OE2 GLU A 118 5.819 13.745 -6.004 1.00 0.00 O ATOM 0 H GLU A 118 3.138 11.888 -9.082 1.00 0.00 H new ATOM 0 HA GLU A 118 2.179 14.598 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.956 13.427 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.599 15.141 -9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 118 3.092 14.864 -7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 118 3.611 13.194 -7.050 1.00 0.00 H new