USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 894 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 75 HIS : no HD1:sc= -4.34! C(o=-5.3!,f=-3.6!) USER MOD Set 1.2: A 79 GLN : amide:sc= -1.01 K(o=-5.3,f=-4.4) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.747 K(o=3,f=-10!) USER MOD Set 2.2: A 106 LYS NZ :NH3+ 147:sc= 2.24 (180deg=0.419) USER MOD Single : A 12 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.19) USER MOD Single : A 14 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-10!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.2!) USER MOD Single : A 28 MET CE :methyl 177:sc= -4.29! (180deg=-4.34!) USER MOD Single : A 30 SER OG : rot 99:sc= 1.28 USER MOD Single : A 32 MET CE :methyl -138:sc= -2.84! (180deg=-3.22!) USER MOD Single : A 36 GLN : amide:sc= -2.05! K(o=-2.1!,f=-0.36) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.5!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00337 USER MOD Single : A 52 SER OG : rot 143:sc= 1.28 USER MOD Single : A 54 HIS : no HE2:sc= -2.73 K(o=-2.7,f=-4.2) USER MOD Single : A 56 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.61) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.568 USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00775 USER MOD Single : A 76 LYS NZ :NH3+ -148:sc= 0.893 (180deg=-0.808) USER MOD Single : A 95 TYR OH : rot 86:sc= 1.26 USER MOD Single : A 96 THR OG1 : rot -146:sc= -0.389 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 99 THR OG1 : rot -160:sc= -0.955 USER MOD Single : A 101 GLN : amide:sc= -1.27 K(o=-1.3,f=-5.3!) USER MOD Single : A 104 ASN : amide:sc= -1.51! C(o=-1.5!,f=-10!) USER MOD Single : A 105 SER OG : rot 84:sc= 0.532 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -1.56! C(o=-1.6!,f=-3.1!) USER MOD Single : A 112 GLN : amide:sc= 0.228 K(o=0.23,f=-1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HE2:sc= -0.278 K(o=-0.28,f=-1.9) USER MOD Single : A 125 GLN : amide:sc= -0.797 K(o=-0.8,f=-0.048) USER MOD Single : A 126 SER OG : rot 75:sc= 1.3 USER MOD Single : A 127 LYS NZ :NH3+ -123:sc= 1.25 (180deg=-0.632) USER MOD Single : A 128 GLN : amide:sc= 1.08 K(o=1.1,f=-2.9!) USER MOD Single : A 129 GLN : amide:sc= -2.89! C(o=-2.9!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 8 -18.038 -5.905 3.351 1.00 0.00 N ATOM 109 CA GLU A 8 -17.947 -6.927 2.314 1.00 0.00 C ATOM 110 C GLU A 8 -17.611 -6.295 0.970 1.00 0.00 C ATOM 111 O GLU A 8 -16.919 -6.896 0.143 1.00 0.00 O ATOM 112 CB GLU A 8 -19.259 -7.699 2.199 1.00 0.00 C ATOM 113 CG GLU A 8 -19.099 -9.201 2.332 1.00 0.00 C ATOM 114 CD GLU A 8 -20.426 -9.913 2.497 1.00 0.00 C ATOM 115 OE1 GLU A 8 -21.299 -9.763 1.620 1.00 0.00 O ATOM 116 OE2 GLU A 8 -20.602 -10.630 3.504 1.00 0.00 O ATOM 0 HA GLU A 8 -17.152 -7.618 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.946 -7.347 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -19.718 -7.476 1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -18.590 -9.588 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.463 -9.421 3.190 1.00 0.00 H new ATOM 123 N ALA A 9 -18.108 -5.087 0.753 1.00 0.00 N ATOM 124 CA ALA A 9 -17.854 -4.375 -0.489 1.00 0.00 C ATOM 125 C ALA A 9 -16.434 -3.833 -0.504 1.00 0.00 C ATOM 126 O ALA A 9 -15.720 -3.945 -1.499 1.00 0.00 O ATOM 127 CB ALA A 9 -18.860 -3.249 -0.679 1.00 0.00 C ATOM 0 H ALA A 9 -18.689 -4.580 1.420 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.967 -5.074 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.652 -2.729 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.868 -3.663 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.782 -2.547 0.151 1.00 0.00 H new ATOM 133 N ILE A 10 -16.011 -3.280 0.623 1.00 0.00 N ATOM 134 CA ILE A 10 -14.683 -2.692 0.716 1.00 0.00 C ATOM 135 C ILE A 10 -13.613 -3.769 0.868 1.00 0.00 C ATOM 136 O ILE A 10 -12.423 -3.499 0.717 1.00 0.00 O ATOM 137 CB ILE A 10 -14.572 -1.678 1.870 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.791 -2.361 3.215 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.554 -0.531 1.678 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.614 -2.222 4.148 1.00 0.00 C ATOM 0 H ILE A 10 -16.563 -3.226 1.479 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.517 -2.155 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.563 -1.265 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.676 -1.938 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.993 -3.419 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.458 0.173 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.338 -0.020 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.571 -0.923 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.833 -2.729 5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.732 -2.670 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.426 -1.166 4.341 1.00 0.00 H new ATOM 152 N ASP A 11 -14.042 -4.992 1.162 1.00 0.00 N ATOM 153 CA ASP A 11 -13.128 -6.129 1.200 1.00 0.00 C ATOM 154 C ASP A 11 -12.690 -6.484 -0.209 1.00 0.00 C ATOM 155 O ASP A 11 -11.652 -7.100 -0.410 1.00 0.00 O ATOM 156 CB ASP A 11 -13.782 -7.342 1.865 1.00 0.00 C ATOM 157 CG ASP A 11 -12.779 -8.182 2.634 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.824 -7.607 3.197 1.00 0.00 O ATOM 159 OD2 ASP A 11 -12.945 -9.419 2.676 1.00 0.00 O ATOM 0 H ASP A 11 -15.012 -5.221 1.377 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.257 -5.847 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.566 -7.004 2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.261 -7.957 1.104 1.00 0.00 H new ATOM 164 N GLN A 12 -13.477 -6.056 -1.187 1.00 0.00 N ATOM 165 CA GLN A 12 -13.144 -6.285 -2.580 1.00 0.00 C ATOM 166 C GLN A 12 -12.025 -5.348 -3.019 1.00 0.00 C ATOM 167 O GLN A 12 -11.168 -5.725 -3.817 1.00 0.00 O ATOM 168 CB GLN A 12 -14.380 -6.110 -3.463 1.00 0.00 C ATOM 169 CG GLN A 12 -15.462 -7.144 -3.190 1.00 0.00 C ATOM 170 CD GLN A 12 -14.993 -8.567 -3.442 1.00 0.00 C ATOM 171 OE1 GLN A 12 -15.170 -9.104 -4.534 1.00 0.00 O ATOM 172 NE2 GLN A 12 -14.400 -9.191 -2.435 1.00 0.00 N ATOM 0 H GLN A 12 -14.349 -5.549 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.793 -7.311 -2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.792 -5.113 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.083 -6.172 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.792 -7.053 -2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.326 -6.934 -3.820 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.271 -8.712 -1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.072 -10.150 -2.551 1.00 0.00 H new ATOM 181 N LEU A 13 -12.015 -4.129 -2.482 1.00 0.00 N ATOM 182 CA LEU A 13 -10.927 -3.201 -2.766 1.00 0.00 C ATOM 183 C LEU A 13 -9.766 -3.460 -1.812 1.00 0.00 C ATOM 184 O LEU A 13 -8.643 -3.030 -2.056 1.00 0.00 O ATOM 185 CB LEU A 13 -11.378 -1.736 -2.689 1.00 0.00 C ATOM 186 CG LEU A 13 -12.398 -1.399 -1.606 1.00 0.00 C ATOM 187 CD1 LEU A 13 -11.910 -0.223 -0.779 1.00 0.00 C ATOM 188 CD2 LEU A 13 -13.750 -1.082 -2.221 1.00 0.00 C ATOM 0 H LEU A 13 -12.736 -3.767 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.599 -3.375 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.496 -1.114 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.799 -1.456 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.512 -2.267 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.645 0.010 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.960 -0.478 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.774 0.644 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.462 -0.845 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.654 -0.228 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.106 -1.946 -2.783 1.00 0.00 H new ATOM 200 N HIS A 14 -10.046 -4.183 -0.727 1.00 0.00 N ATOM 201 CA HIS A 14 -8.996 -4.655 0.176 1.00 0.00 C ATOM 202 C HIS A 14 -7.991 -5.486 -0.606 1.00 0.00 C ATOM 203 O HIS A 14 -6.799 -5.510 -0.291 1.00 0.00 O ATOM 204 CB HIS A 14 -9.584 -5.519 1.296 1.00 0.00 C ATOM 205 CG HIS A 14 -9.920 -4.774 2.552 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.719 -5.303 3.541 1.00 0.00 N ATOM 207 CD2 HIS A 14 -9.574 -3.538 2.978 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.851 -4.430 4.516 1.00 0.00 C ATOM 209 NE2 HIS A 14 -10.166 -3.346 4.204 1.00 0.00 N ATOM 0 H HIS A 14 -10.990 -4.454 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.510 -3.785 0.618 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.487 -6.005 0.926 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.873 -6.309 1.538 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.144 -6.230 3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.948 -2.832 2.452 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.424 -4.576 5.420 1.00 0.00 H new ATOM 218 N LEU A 15 -8.493 -6.166 -1.634 1.00 0.00 N ATOM 219 CA LEU A 15 -7.669 -6.982 -2.504 1.00 0.00 C ATOM 220 C LEU A 15 -6.648 -6.131 -3.243 1.00 0.00 C ATOM 221 O LEU A 15 -5.503 -6.538 -3.415 1.00 0.00 O ATOM 222 CB LEU A 15 -8.544 -7.725 -3.513 1.00 0.00 C ATOM 223 CG LEU A 15 -8.970 -9.134 -3.107 1.00 0.00 C ATOM 224 CD1 LEU A 15 -7.883 -9.833 -2.311 1.00 0.00 C ATOM 225 CD2 LEU A 15 -10.279 -9.100 -2.342 1.00 0.00 C ATOM 0 H LEU A 15 -9.482 -6.163 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.136 -7.704 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.440 -7.132 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.005 -7.786 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.127 -9.712 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.218 -10.833 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.979 -9.906 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.670 -9.262 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.564 -10.114 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.159 -8.496 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.056 -8.665 -2.970 1.00 0.00 H new ATOM 237 N GLU A 16 -7.066 -4.949 -3.673 1.00 0.00 N ATOM 238 CA GLU A 16 -6.186 -4.040 -4.396 1.00 0.00 C ATOM 239 C GLU A 16 -5.059 -3.584 -3.499 1.00 0.00 C ATOM 240 O GLU A 16 -3.918 -3.430 -3.934 1.00 0.00 O ATOM 241 CB GLU A 16 -6.967 -2.825 -4.897 1.00 0.00 C ATOM 242 CG GLU A 16 -7.154 -2.802 -6.398 1.00 0.00 C ATOM 243 CD GLU A 16 -6.101 -1.975 -7.110 1.00 0.00 C ATOM 244 OE1 GLU A 16 -4.900 -2.257 -6.939 1.00 0.00 O ATOM 245 OE2 GLU A 16 -6.474 -1.044 -7.857 1.00 0.00 O ATOM 0 H GLU A 16 -8.013 -4.595 -3.533 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.771 -4.571 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.946 -2.809 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.447 -1.918 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.126 -3.823 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.141 -2.402 -6.630 1.00 0.00 H new ATOM 252 N TYR A 17 -5.389 -3.391 -2.235 1.00 0.00 N ATOM 253 CA TYR A 17 -4.397 -2.995 -1.252 1.00 0.00 C ATOM 254 C TYR A 17 -3.376 -4.111 -1.111 1.00 0.00 C ATOM 255 O TYR A 17 -2.175 -3.880 -1.190 1.00 0.00 O ATOM 256 CB TYR A 17 -5.055 -2.684 0.099 1.00 0.00 C ATOM 257 CG TYR A 17 -4.170 -1.911 1.056 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.965 -2.438 1.499 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.544 -0.661 1.525 1.00 0.00 C ATOM 260 CE1 TYR A 17 -2.160 -1.747 2.379 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.743 0.039 2.404 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.554 -0.507 2.828 1.00 0.00 C ATOM 263 OH TYR A 17 -1.755 0.185 3.704 1.00 0.00 O ATOM 0 H TYR A 17 -6.333 -3.502 -1.866 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.899 -2.085 -1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.967 -2.114 -0.076 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.351 -3.621 0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.652 -3.410 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.477 -0.228 1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.227 -2.175 2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.049 1.012 2.758 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.175 1.043 3.923 1.00 0.00 H new ATOM 273 N ALA A 18 -3.872 -5.329 -0.954 1.00 0.00 N ATOM 274 CA ALA A 18 -3.009 -6.488 -0.790 1.00 0.00 C ATOM 275 C ALA A 18 -2.197 -6.756 -2.049 1.00 0.00 C ATOM 276 O ALA A 18 -1.073 -7.249 -1.974 1.00 0.00 O ATOM 277 CB ALA A 18 -3.835 -7.711 -0.422 1.00 0.00 C ATOM 0 H ALA A 18 -4.870 -5.540 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.310 -6.276 0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.177 -8.572 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.364 -7.525 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.557 -7.914 -1.213 1.00 0.00 H new ATOM 283 N LYS A 19 -2.756 -6.409 -3.201 1.00 0.00 N ATOM 284 CA LYS A 19 -2.100 -6.684 -4.468 1.00 0.00 C ATOM 285 C LYS A 19 -1.006 -5.668 -4.757 1.00 0.00 C ATOM 286 O LYS A 19 -0.080 -5.953 -5.513 1.00 0.00 O ATOM 287 CB LYS A 19 -3.121 -6.686 -5.607 1.00 0.00 C ATOM 288 CG LYS A 19 -3.341 -8.056 -6.228 1.00 0.00 C ATOM 289 CD LYS A 19 -4.510 -8.780 -5.584 1.00 0.00 C ATOM 290 CE LYS A 19 -5.831 -8.388 -6.228 1.00 0.00 C ATOM 291 NZ LYS A 19 -6.395 -9.491 -7.048 1.00 0.00 N ATOM 0 H LYS A 19 -3.658 -5.939 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.640 -7.670 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.073 -6.310 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.789 -5.995 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.524 -7.946 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.437 -8.655 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.366 -9.857 -5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.540 -8.549 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.545 -8.110 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.683 -7.509 -6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.295 -9.185 -7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.725 -9.739 -7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.560 -10.322 -6.445 1.00 0.00 H new ATOM 305 N ARG A 20 -1.105 -4.492 -4.152 1.00 0.00 N ATOM 306 CA ARG A 20 -0.135 -3.436 -4.405 1.00 0.00 C ATOM 307 C ARG A 20 0.844 -3.286 -3.248 1.00 0.00 C ATOM 308 O ARG A 20 2.021 -2.991 -3.457 1.00 0.00 O ATOM 309 CB ARG A 20 -0.851 -2.116 -4.671 1.00 0.00 C ATOM 310 CG ARG A 20 -1.351 -1.974 -6.098 1.00 0.00 C ATOM 311 CD ARG A 20 -1.720 -0.538 -6.415 1.00 0.00 C ATOM 312 NE ARG A 20 -2.945 -0.455 -7.206 1.00 0.00 N ATOM 313 CZ ARG A 20 -3.117 0.383 -8.224 1.00 0.00 C ATOM 314 NH1 ARG A 20 -2.140 1.210 -8.586 1.00 0.00 N ATOM 315 NH2 ARG A 20 -4.271 0.389 -8.883 1.00 0.00 N ATOM 0 H ARG A 20 -1.840 -4.247 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 20 0.439 -3.714 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.696 -2.026 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.172 -1.293 -4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.581 -2.315 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.220 -2.616 -6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.849 0.018 -5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.903 -0.064 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.715 -1.078 -6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.253 1.203 -8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.278 1.851 -9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.019 -0.247 -8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.409 1.030 -9.665 1.00 0.00 H new ATOM 329 N ALA A 21 0.364 -3.500 -2.032 1.00 0.00 N ATOM 330 CA ALA A 21 1.223 -3.437 -0.859 1.00 0.00 C ATOM 331 C ALA A 21 2.231 -4.579 -0.882 1.00 0.00 C ATOM 332 O ALA A 21 3.303 -4.481 -0.290 1.00 0.00 O ATOM 333 CB ALA A 21 0.398 -3.490 0.418 1.00 0.00 C ATOM 0 H ALA A 21 -0.612 -3.718 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 21 1.762 -2.490 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.061 -3.442 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.291 -2.646 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.168 -4.421 0.447 1.00 0.00 H new ATOM 339 N ALA A 22 1.886 -5.649 -1.597 1.00 0.00 N ATOM 340 CA ALA A 22 2.727 -6.845 -1.632 1.00 0.00 C ATOM 341 C ALA A 22 4.057 -6.582 -2.351 1.00 0.00 C ATOM 342 O ALA A 22 5.120 -6.710 -1.742 1.00 0.00 O ATOM 343 CB ALA A 22 1.977 -8.023 -2.251 1.00 0.00 C ATOM 0 H ALA A 22 1.036 -5.713 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 22 2.969 -7.109 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.625 -8.900 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.087 -8.239 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.683 -7.772 -3.270 1.00 0.00 H new ATOM 349 N PRO A 23 4.043 -6.185 -3.646 1.00 0.00 N ATOM 350 CA PRO A 23 5.279 -5.902 -4.379 1.00 0.00 C ATOM 351 C PRO A 23 5.981 -4.664 -3.842 1.00 0.00 C ATOM 352 O PRO A 23 7.202 -4.541 -3.924 1.00 0.00 O ATOM 353 CB PRO A 23 4.812 -5.672 -5.818 1.00 0.00 C ATOM 354 CG PRO A 23 3.386 -5.265 -5.699 1.00 0.00 C ATOM 355 CD PRO A 23 2.850 -5.989 -4.497 1.00 0.00 C ATOM 0 HA PRO A 23 6.002 -6.713 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.404 -4.898 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.916 -6.577 -6.416 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.297 -4.186 -5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.828 -5.531 -6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.085 -5.405 -3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.394 -6.940 -4.773 1.00 0.00 H new ATOM 363 N PHE A 24 5.200 -3.759 -3.273 1.00 0.00 N ATOM 364 CA PHE A 24 5.740 -2.538 -2.708 1.00 0.00 C ATOM 365 C PHE A 24 6.556 -2.843 -1.461 1.00 0.00 C ATOM 366 O PHE A 24 7.619 -2.262 -1.243 1.00 0.00 O ATOM 367 CB PHE A 24 4.608 -1.568 -2.379 1.00 0.00 C ATOM 368 CG PHE A 24 5.039 -0.133 -2.277 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.228 0.305 -2.840 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.240 0.781 -1.617 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.610 1.628 -2.741 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.615 2.102 -1.513 1.00 0.00 C ATOM 373 CZ PHE A 24 5.802 2.526 -2.078 1.00 0.00 C ATOM 0 H PHE A 24 4.187 -3.850 -3.191 1.00 0.00 H new ATOM 0 HA PHE A 24 6.398 -2.074 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.838 -1.651 -3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.151 -1.867 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.862 -0.396 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.309 0.455 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.539 1.958 -3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.983 2.805 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.097 3.562 -2.000 1.00 0.00 H new ATOM 383 N ASN A 25 6.068 -3.777 -0.655 1.00 0.00 N ATOM 384 CA ASN A 25 6.774 -4.179 0.552 1.00 0.00 C ATOM 385 C ASN A 25 8.014 -4.967 0.184 1.00 0.00 C ATOM 386 O ASN A 25 9.012 -4.966 0.908 1.00 0.00 O ATOM 387 CB ASN A 25 5.867 -5.012 1.464 1.00 0.00 C ATOM 388 CG ASN A 25 5.890 -4.533 2.903 1.00 0.00 C ATOM 389 OD1 ASN A 25 6.604 -3.592 3.250 1.00 0.00 O ATOM 390 ND2 ASN A 25 5.111 -5.183 3.753 1.00 0.00 N ATOM 0 H ASN A 25 5.189 -4.268 -0.815 1.00 0.00 H new ATOM 0 HA ASN A 25 7.068 -3.282 1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.845 -4.972 1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.180 -6.055 1.427 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.088 -4.909 4.735 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.534 -5.958 3.426 1.00 0.00 H new ATOM 397 N ASN A 26 7.947 -5.610 -0.969 1.00 0.00 N ATOM 398 CA ASN A 26 9.076 -6.357 -1.504 1.00 0.00 C ATOM 399 C ASN A 26 10.179 -5.390 -1.899 1.00 0.00 C ATOM 400 O ASN A 26 11.355 -5.608 -1.610 1.00 0.00 O ATOM 401 CB ASN A 26 8.653 -7.173 -2.727 1.00 0.00 C ATOM 402 CG ASN A 26 8.405 -8.630 -2.403 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.930 -9.163 -1.428 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.612 -9.292 -3.231 1.00 0.00 N ATOM 0 H ASN A 26 7.115 -5.630 -1.559 1.00 0.00 H new ATOM 0 HA ASN A 26 9.438 -7.041 -0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.747 -6.740 -3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.427 -7.102 -3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.418 -10.280 -3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.195 -8.814 -4.030 1.00 0.00 H new ATOM 411 N TRP A 27 9.770 -4.308 -2.543 1.00 0.00 N ATOM 412 CA TRP A 27 10.692 -3.279 -2.990 1.00 0.00 C ATOM 413 C TRP A 27 11.284 -2.545 -1.798 1.00 0.00 C ATOM 414 O TRP A 27 12.501 -2.413 -1.680 1.00 0.00 O ATOM 415 CB TRP A 27 9.964 -2.295 -3.910 1.00 0.00 C ATOM 416 CG TRP A 27 10.825 -1.176 -4.416 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.634 -1.194 -5.513 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.952 0.125 -3.843 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.254 0.025 -5.659 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.852 0.849 -4.642 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.387 0.748 -2.730 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.202 2.166 -4.361 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.734 2.053 -2.450 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.636 2.750 -3.264 1.00 0.00 C ATOM 0 H TRP A 27 8.793 -4.120 -2.769 1.00 0.00 H new ATOM 0 HA TRP A 27 11.505 -3.749 -3.544 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.560 -2.842 -4.762 1.00 0.00 H new ATOM 0 HB3 TRP A 27 9.116 -1.871 -3.372 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.768 -2.040 -6.170 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.906 0.274 -6.403 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.690 0.217 -2.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.896 2.707 -4.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.304 2.545 -1.590 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.889 3.771 -3.019 1.00 0.00 H new ATOM 435 N MET A 28 10.410 -2.082 -0.912 1.00 0.00 N ATOM 436 CA MET A 28 10.823 -1.321 0.260 1.00 0.00 C ATOM 437 C MET A 28 11.859 -2.069 1.084 1.00 0.00 C ATOM 438 O MET A 28 12.873 -1.496 1.483 1.00 0.00 O ATOM 439 CB MET A 28 9.612 -0.994 1.126 1.00 0.00 C ATOM 440 CG MET A 28 8.840 0.208 0.629 1.00 0.00 C ATOM 441 SD MET A 28 8.248 1.254 1.964 1.00 0.00 S ATOM 442 CE MET A 28 6.989 2.171 1.092 1.00 0.00 C ATOM 0 H MET A 28 9.402 -2.222 -0.985 1.00 0.00 H new ATOM 0 HA MET A 28 11.281 -0.397 -0.093 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.949 -1.859 1.156 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.942 -0.810 2.148 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.477 0.796 -0.032 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.991 -0.131 0.035 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.477 2.837 1.787 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.451 2.760 0.299 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.270 1.477 0.657 1.00 0.00 H new ATOM 452 N GLU A 29 11.608 -3.348 1.324 1.00 0.00 N ATOM 453 CA GLU A 29 12.506 -4.161 2.119 1.00 0.00 C ATOM 454 C GLU A 29 13.840 -4.343 1.412 1.00 0.00 C ATOM 455 O GLU A 29 14.895 -4.130 2.006 1.00 0.00 O ATOM 456 CB GLU A 29 11.874 -5.519 2.408 1.00 0.00 C ATOM 457 CG GLU A 29 11.966 -5.919 3.865 1.00 0.00 C ATOM 458 CD GLU A 29 10.853 -5.330 4.709 1.00 0.00 C ATOM 459 OE1 GLU A 29 10.864 -4.105 4.956 1.00 0.00 O ATOM 460 OE2 GLU A 29 9.958 -6.088 5.133 1.00 0.00 O ATOM 0 H GLU A 29 10.786 -3.843 0.977 1.00 0.00 H new ATOM 0 HA GLU A 29 12.686 -3.647 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.826 -5.496 2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.363 -6.278 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.937 -7.006 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.928 -5.598 4.265 1.00 0.00 H new ATOM 467 N SER A 30 13.787 -4.706 0.140 1.00 0.00 N ATOM 468 CA SER A 30 14.999 -4.958 -0.619 1.00 0.00 C ATOM 469 C SER A 30 15.813 -3.678 -0.794 1.00 0.00 C ATOM 470 O SER A 30 17.038 -3.701 -0.687 1.00 0.00 O ATOM 471 CB SER A 30 14.653 -5.568 -1.976 1.00 0.00 C ATOM 472 OG SER A 30 13.789 -6.684 -1.820 1.00 0.00 O ATOM 0 H SER A 30 12.922 -4.832 -0.385 1.00 0.00 H new ATOM 0 HA SER A 30 15.611 -5.668 -0.062 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.176 -4.818 -2.606 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.566 -5.877 -2.485 1.00 0.00 H new ATOM 0 HG SER A 30 12.864 -6.407 -1.988 1.00 0.00 H new ATOM 478 N ALA A 31 15.127 -2.560 -1.024 1.00 0.00 N ATOM 479 CA ALA A 31 15.798 -1.278 -1.224 1.00 0.00 C ATOM 480 C ALA A 31 16.428 -0.781 0.071 1.00 0.00 C ATOM 481 O ALA A 31 17.615 -0.475 0.110 1.00 0.00 O ATOM 482 CB ALA A 31 14.827 -0.241 -1.768 1.00 0.00 C ATOM 0 H ALA A 31 14.109 -2.516 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 31 16.592 -1.429 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.348 0.706 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.428 -0.582 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.008 -0.103 -1.062 1.00 0.00 H new ATOM 488 N MET A 32 15.626 -0.710 1.126 1.00 0.00 N ATOM 489 CA MET A 32 16.098 -0.230 2.424 1.00 0.00 C ATOM 490 C MET A 32 17.298 -1.038 2.910 1.00 0.00 C ATOM 491 O MET A 32 18.297 -0.477 3.355 1.00 0.00 O ATOM 492 CB MET A 32 14.973 -0.309 3.455 1.00 0.00 C ATOM 493 CG MET A 32 15.238 0.495 4.715 1.00 0.00 C ATOM 494 SD MET A 32 13.996 0.209 5.989 1.00 0.00 S ATOM 495 CE MET A 32 12.496 0.568 5.077 1.00 0.00 C ATOM 0 H MET A 32 14.642 -0.979 1.110 1.00 0.00 H new ATOM 0 HA MET A 32 16.409 0.808 2.304 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.049 0.044 2.998 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.815 -1.353 3.728 1.00 0.00 H new ATOM 0 HG2 MET A 32 16.222 0.237 5.107 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.262 1.556 4.467 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.819 1.148 5.704 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.742 1.140 4.182 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.013 -0.366 4.789 1.00 0.00 H new ATOM 505 N GLU A 33 17.203 -2.356 2.788 1.00 0.00 N ATOM 506 CA GLU A 33 18.233 -3.248 3.286 1.00 0.00 C ATOM 507 C GLU A 33 19.470 -3.196 2.399 1.00 0.00 C ATOM 508 O GLU A 33 20.587 -3.413 2.864 1.00 0.00 O ATOM 509 CB GLU A 33 17.694 -4.673 3.356 1.00 0.00 C ATOM 510 CG GLU A 33 16.862 -4.947 4.599 1.00 0.00 C ATOM 511 CD GLU A 33 17.714 -5.148 5.831 1.00 0.00 C ATOM 512 OE1 GLU A 33 18.103 -4.147 6.464 1.00 0.00 O ATOM 513 OE2 GLU A 33 18.013 -6.313 6.169 1.00 0.00 O ATOM 0 H GLU A 33 16.416 -2.830 2.345 1.00 0.00 H new ATOM 0 HA GLU A 33 18.519 -2.923 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.087 -4.867 2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.531 -5.371 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 33 16.178 -4.115 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.250 -5.834 4.435 1.00 0.00 H new ATOM 520 N ASP A 34 19.265 -2.909 1.122 1.00 0.00 N ATOM 521 CA ASP A 34 20.375 -2.793 0.179 1.00 0.00 C ATOM 522 C ASP A 34 21.099 -1.474 0.390 1.00 0.00 C ATOM 523 O ASP A 34 22.319 -1.393 0.265 1.00 0.00 O ATOM 524 CB ASP A 34 19.867 -2.863 -1.265 1.00 0.00 C ATOM 525 CG ASP A 34 20.974 -3.129 -2.267 1.00 0.00 C ATOM 526 OD1 ASP A 34 21.293 -4.313 -2.508 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.525 -2.159 -2.830 1.00 0.00 O ATOM 0 H ASP A 34 18.344 -2.752 0.713 1.00 0.00 H new ATOM 0 HA ASP A 34 21.061 -3.622 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.116 -3.649 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.373 -1.925 -1.517 1.00 0.00 H new ATOM 532 N LEU A 35 20.326 -0.452 0.741 1.00 0.00 N ATOM 533 CA LEU A 35 20.841 0.907 0.849 1.00 0.00 C ATOM 534 C LEU A 35 21.823 1.056 2.010 1.00 0.00 C ATOM 535 O LEU A 35 22.793 1.812 1.910 1.00 0.00 O ATOM 536 CB LEU A 35 19.684 1.903 0.997 1.00 0.00 C ATOM 537 CG LEU A 35 19.320 2.678 -0.277 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.349 1.765 -1.496 1.00 0.00 C ATOM 539 CD2 LEU A 35 17.953 3.333 -0.141 1.00 0.00 C ATOM 0 H LEU A 35 19.333 -0.541 0.957 1.00 0.00 H new ATOM 0 HA LEU A 35 21.387 1.125 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.802 1.362 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.940 2.619 1.778 1.00 0.00 H new ATOM 0 HG LEU A 35 20.066 3.461 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.088 2.338 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.349 1.347 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.631 0.956 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.717 3.876 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.198 2.566 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.964 4.026 0.700 1.00 0.00 H new ATOM 551 N GLN A 36 21.581 0.335 3.101 1.00 0.00 N ATOM 552 CA GLN A 36 22.459 0.410 4.267 1.00 0.00 C ATOM 553 C GLN A 36 23.570 -0.630 4.206 1.00 0.00 C ATOM 554 O GLN A 36 24.584 -0.511 4.901 1.00 0.00 O ATOM 555 CB GLN A 36 21.686 0.231 5.568 1.00 0.00 C ATOM 556 CG GLN A 36 20.743 -0.957 5.596 1.00 0.00 C ATOM 557 CD GLN A 36 19.502 -0.647 6.393 1.00 0.00 C ATOM 558 OE1 GLN A 36 19.004 -1.470 7.158 1.00 0.00 O ATOM 559 NE2 GLN A 36 19.004 0.562 6.221 1.00 0.00 N ATOM 0 H GLN A 36 20.792 -0.303 3.203 1.00 0.00 H new ATOM 0 HA GLN A 36 22.902 1.406 4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 36 22.399 0.129 6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.111 1.137 5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.466 -1.229 4.578 1.00 0.00 H new ATOM 0 HG3 GLN A 36 21.251 -1.818 6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.453 1.211 5.575 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.170 0.848 6.734 1.00 0.00 H new ATOM 568 N ASP A 37 23.373 -1.650 3.382 1.00 0.00 N ATOM 569 CA ASP A 37 24.289 -2.784 3.336 1.00 0.00 C ATOM 570 C ASP A 37 25.651 -2.386 2.785 1.00 0.00 C ATOM 571 O ASP A 37 25.789 -1.376 2.088 1.00 0.00 O ATOM 572 CB ASP A 37 23.707 -3.918 2.496 1.00 0.00 C ATOM 573 CG ASP A 37 24.078 -5.284 3.038 1.00 0.00 C ATOM 574 OD1 ASP A 37 25.018 -5.373 3.860 1.00 0.00 O ATOM 575 OD2 ASP A 37 23.424 -6.274 2.649 1.00 0.00 O ATOM 0 H ASP A 37 22.587 -1.717 2.735 1.00 0.00 H new ATOM 0 HA ASP A 37 24.422 -3.129 4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.621 -3.824 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.064 -3.827 1.470 1.00 0.00 H new ATOM 580 N MET A 38 26.649 -3.195 3.098 1.00 0.00 N ATOM 581 CA MET A 38 28.016 -2.925 2.682 1.00 0.00 C ATOM 582 C MET A 38 28.226 -3.364 1.244 1.00 0.00 C ATOM 583 O MET A 38 28.387 -4.553 0.966 1.00 0.00 O ATOM 584 CB MET A 38 29.011 -3.644 3.594 1.00 0.00 C ATOM 585 CG MET A 38 29.346 -2.880 4.863 1.00 0.00 C ATOM 586 SD MET A 38 28.332 -3.392 6.265 1.00 0.00 S ATOM 587 CE MET A 38 29.356 -2.861 7.637 1.00 0.00 C ATOM 0 H MET A 38 26.537 -4.050 3.643 1.00 0.00 H new ATOM 0 HA MET A 38 28.188 -1.851 2.756 1.00 0.00 H new ATOM 0 HB2 MET A 38 28.603 -4.618 3.865 1.00 0.00 H new ATOM 0 HB3 MET A 38 29.931 -3.828 3.039 1.00 0.00 H new ATOM 0 HG2 MET A 38 30.398 -3.029 5.106 1.00 0.00 H new ATOM 0 HG3 MET A 38 29.207 -1.813 4.688 1.00 0.00 H new ATOM 0 HE1 MET A 38 28.862 -3.109 8.577 1.00 0.00 H new ATOM 0 HE2 MET A 38 30.320 -3.367 7.589 1.00 0.00 H new ATOM 0 HE3 MET A 38 29.509 -1.783 7.581 1.00 0.00 H new ATOM 597 N PHE A 39 28.214 -2.404 0.336 1.00 0.00 N ATOM 598 CA PHE A 39 28.448 -2.688 -1.070 1.00 0.00 C ATOM 599 C PHE A 39 29.936 -2.876 -1.318 1.00 0.00 C ATOM 600 O PHE A 39 30.764 -2.150 -0.764 1.00 0.00 O ATOM 601 CB PHE A 39 27.891 -1.564 -1.958 1.00 0.00 C ATOM 602 CG PHE A 39 28.442 -0.194 -1.655 1.00 0.00 C ATOM 603 CD1 PHE A 39 27.871 0.597 -0.672 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.525 0.302 -2.365 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.370 1.856 -0.399 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.026 1.560 -2.097 1.00 0.00 C ATOM 607 CZ PHE A 39 29.448 2.337 -1.113 1.00 0.00 C ATOM 0 H PHE A 39 28.045 -1.420 0.547 1.00 0.00 H new ATOM 0 HA PHE A 39 27.926 -3.609 -1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.102 -1.804 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 39 26.807 -1.537 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.026 0.225 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 39 29.981 -0.302 -3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 39 27.917 2.462 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 39 30.870 1.936 -2.657 1.00 0.00 H new ATOM 0 HZ PHE A 39 29.840 3.321 -0.902 1.00 0.00 H new ATOM 617 N ILE A 40 30.274 -3.864 -2.126 1.00 0.00 N ATOM 618 CA ILE A 40 31.659 -4.101 -2.473 1.00 0.00 C ATOM 619 C ILE A 40 31.882 -3.885 -3.968 1.00 0.00 C ATOM 620 O ILE A 40 31.120 -4.369 -4.809 1.00 0.00 O ATOM 621 CB ILE A 40 32.135 -5.511 -2.028 1.00 0.00 C ATOM 622 CG1 ILE A 40 33.652 -5.517 -1.826 1.00 0.00 C ATOM 623 CG2 ILE A 40 31.728 -6.581 -3.028 1.00 0.00 C ATOM 624 CD1 ILE A 40 34.097 -4.791 -0.575 1.00 0.00 C ATOM 0 H ILE A 40 29.610 -4.511 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 40 32.265 -3.377 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 40 31.649 -5.744 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 40 34.001 -6.549 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 40 34.128 -5.057 -2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.078 -7.554 -2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 40 30.642 -6.598 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 40 32.171 -6.359 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 40 35.183 -4.835 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 40 33.779 -3.750 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 40 33.650 -5.265 0.299 1.00 0.00 H new ATOM 636 N VAL A 41 32.895 -3.100 -4.290 1.00 0.00 N ATOM 637 CA VAL A 41 33.238 -2.820 -5.671 1.00 0.00 C ATOM 638 C VAL A 41 34.710 -3.125 -5.907 1.00 0.00 C ATOM 639 O VAL A 41 35.503 -3.143 -4.962 1.00 0.00 O ATOM 640 CB VAL A 41 32.941 -1.348 -6.053 1.00 0.00 C ATOM 641 CG1 VAL A 41 31.573 -0.924 -5.552 1.00 0.00 C ATOM 642 CG2 VAL A 41 34.014 -0.414 -5.513 1.00 0.00 C ATOM 0 H VAL A 41 33.498 -2.642 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 41 32.620 -3.458 -6.302 1.00 0.00 H new ATOM 0 HB VAL A 41 32.947 -1.282 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.388 0.113 -5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 41 30.809 -1.562 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 41 31.538 -1.018 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 41 33.779 0.612 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 41 34.050 -0.491 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 41 34.982 -0.693 -5.929 1.00 0.00 H new ATOM 652 N HIS A 42 35.070 -3.397 -7.149 1.00 0.00 N ATOM 653 CA HIS A 42 36.465 -3.628 -7.492 1.00 0.00 C ATOM 654 C HIS A 42 37.052 -2.401 -8.170 1.00 0.00 C ATOM 655 O HIS A 42 37.987 -1.784 -7.663 1.00 0.00 O ATOM 656 CB HIS A 42 36.615 -4.845 -8.407 1.00 0.00 C ATOM 657 CG HIS A 42 36.146 -6.126 -7.793 1.00 0.00 C ATOM 658 ND1 HIS A 42 34.822 -6.490 -7.738 1.00 0.00 N ATOM 659 CD2 HIS A 42 36.833 -7.127 -7.196 1.00 0.00 C ATOM 660 CE1 HIS A 42 34.712 -7.656 -7.134 1.00 0.00 C ATOM 661 NE2 HIS A 42 35.919 -8.069 -6.793 1.00 0.00 N ATOM 0 H HIS A 42 34.421 -3.463 -7.933 1.00 0.00 H new ATOM 0 HA HIS A 42 37.008 -3.823 -6.567 1.00 0.00 H new ATOM 0 HB2 HIS A 42 36.056 -4.668 -9.326 1.00 0.00 H new ATOM 0 HB3 HIS A 42 37.663 -4.950 -8.687 1.00 0.00 H new ATOM 0 HD1 HIS A 42 34.045 -5.942 -8.107 1.00 0.00 H new ATOM 0 HD2 HIS A 42 37.903 -7.176 -7.061 1.00 0.00 H new ATOM 0 HE1 HIS A 42 33.789 -8.185 -6.949 1.00 0.00 H new ATOM 670 N THR A 43 36.486 -2.045 -9.311 1.00 0.00 N ATOM 671 CA THR A 43 36.997 -0.948 -10.110 1.00 0.00 C ATOM 672 C THR A 43 35.969 0.170 -10.246 1.00 0.00 C ATOM 673 O THR A 43 34.811 0.014 -9.846 1.00 0.00 O ATOM 674 CB THR A 43 37.386 -1.449 -11.508 1.00 0.00 C ATOM 675 OG1 THR A 43 36.622 -2.621 -11.828 1.00 0.00 O ATOM 676 CG2 THR A 43 38.866 -1.775 -11.570 1.00 0.00 C ATOM 0 H THR A 43 35.666 -2.505 -9.706 1.00 0.00 H new ATOM 0 HA THR A 43 37.875 -0.551 -9.600 1.00 0.00 H new ATOM 0 HB THR A 43 37.174 -0.661 -12.231 1.00 0.00 H new ATOM 0 HG1 THR A 43 36.870 -2.939 -12.721 1.00 0.00 H new ATOM 0 HG21 THR A 43 39.119 -2.128 -12.570 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.446 -0.880 -11.344 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.098 -2.552 -10.841 1.00 0.00 H new ATOM 684 N ILE A 44 36.394 1.294 -10.814 1.00 0.00 N ATOM 685 CA ILE A 44 35.510 2.417 -11.061 1.00 0.00 C ATOM 686 C ILE A 44 34.421 2.038 -12.064 1.00 0.00 C ATOM 687 O ILE A 44 33.299 2.539 -12.004 1.00 0.00 O ATOM 688 CB ILE A 44 36.317 3.630 -11.566 1.00 0.00 C ATOM 689 CG1 ILE A 44 35.530 4.917 -11.356 1.00 0.00 C ATOM 690 CG2 ILE A 44 36.739 3.463 -13.021 1.00 0.00 C ATOM 691 CD1 ILE A 44 34.800 5.432 -12.584 1.00 0.00 C ATOM 0 H ILE A 44 37.357 1.447 -11.113 1.00 0.00 H new ATOM 0 HA ILE A 44 35.025 2.689 -10.123 1.00 0.00 H new ATOM 0 HB ILE A 44 37.233 3.692 -10.979 1.00 0.00 H new ATOM 0 HG12 ILE A 44 34.802 4.754 -10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 44 36.214 5.691 -11.008 1.00 0.00 H new ATOM 0 HG21 ILE A 44 37.305 4.339 -13.338 1.00 0.00 H new ATOM 0 HG22 ILE A 44 37.361 2.573 -13.120 1.00 0.00 H new ATOM 0 HG23 ILE A 44 35.853 3.357 -13.647 1.00 0.00 H new ATOM 0 HD11 ILE A 44 34.270 6.351 -12.333 1.00 0.00 H new ATOM 0 HD12 ILE A 44 35.520 5.633 -13.377 1.00 0.00 H new ATOM 0 HD13 ILE A 44 34.086 4.682 -12.924 1.00 0.00 H new ATOM 703 N GLU A 45 34.770 1.144 -12.975 1.00 0.00 N ATOM 704 CA GLU A 45 33.826 0.609 -13.947 1.00 0.00 C ATOM 705 C GLU A 45 32.593 0.029 -13.254 1.00 0.00 C ATOM 706 O GLU A 45 31.467 0.217 -13.713 1.00 0.00 O ATOM 707 CB GLU A 45 34.510 -0.463 -14.795 1.00 0.00 C ATOM 708 CG GLU A 45 34.768 -0.029 -16.228 1.00 0.00 C ATOM 709 CD GLU A 45 33.550 -0.184 -17.113 1.00 0.00 C ATOM 710 OE1 GLU A 45 33.341 -1.288 -17.658 1.00 0.00 O ATOM 711 OE2 GLU A 45 32.795 0.800 -17.269 1.00 0.00 O ATOM 0 H GLU A 45 35.714 0.768 -13.063 1.00 0.00 H new ATOM 0 HA GLU A 45 33.496 1.423 -14.592 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.458 -0.733 -14.329 1.00 0.00 H new ATOM 0 HB3 GLU A 45 33.891 -1.360 -14.801 1.00 0.00 H new ATOM 0 HG2 GLU A 45 35.088 1.013 -16.236 1.00 0.00 H new ATOM 0 HG3 GLU A 45 35.588 -0.617 -16.639 1.00 0.00 H new ATOM 718 N GLU A 46 32.810 -0.653 -12.134 1.00 0.00 N ATOM 719 CA GLU A 46 31.711 -1.210 -11.352 1.00 0.00 C ATOM 720 C GLU A 46 30.915 -0.094 -10.699 1.00 0.00 C ATOM 721 O GLU A 46 29.692 -0.132 -10.665 1.00 0.00 O ATOM 722 CB GLU A 46 32.241 -2.155 -10.276 1.00 0.00 C ATOM 723 CG GLU A 46 33.133 -3.257 -10.814 1.00 0.00 C ATOM 724 CD GLU A 46 32.923 -4.565 -10.089 1.00 0.00 C ATOM 725 OE1 GLU A 46 33.246 -4.641 -8.883 1.00 0.00 O ATOM 726 OE2 GLU A 46 32.431 -5.523 -10.720 1.00 0.00 O ATOM 0 H GLU A 46 33.736 -0.833 -11.747 1.00 0.00 H new ATOM 0 HA GLU A 46 31.063 -1.770 -12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 46 32.799 -1.576 -9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 46 31.397 -2.606 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 46 32.935 -3.397 -11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 46 34.176 -2.955 -10.721 1.00 0.00 H new ATOM 733 N ILE A 47 31.623 0.905 -10.206 1.00 0.00 N ATOM 734 CA ILE A 47 31.014 2.048 -9.548 1.00 0.00 C ATOM 735 C ILE A 47 30.113 2.800 -10.523 1.00 0.00 C ATOM 736 O ILE A 47 29.066 3.324 -10.143 1.00 0.00 O ATOM 737 CB ILE A 47 32.108 2.986 -8.968 1.00 0.00 C ATOM 738 CG1 ILE A 47 32.115 2.902 -7.442 1.00 0.00 C ATOM 739 CG2 ILE A 47 31.932 4.433 -9.421 1.00 0.00 C ATOM 740 CD1 ILE A 47 33.508 2.879 -6.855 1.00 0.00 C ATOM 0 H ILE A 47 32.641 0.948 -10.250 1.00 0.00 H new ATOM 0 HA ILE A 47 30.400 1.691 -8.721 1.00 0.00 H new ATOM 0 HB ILE A 47 33.068 2.645 -9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 47 31.570 3.754 -7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 47 31.581 2.004 -7.131 1.00 0.00 H new ATOM 0 HG21 ILE A 47 32.721 5.048 -8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 47 31.987 4.483 -10.508 1.00 0.00 H new ATOM 0 HG23 ILE A 47 30.962 4.802 -9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 47 33.444 2.819 -5.769 1.00 0.00 H new ATOM 0 HD12 ILE A 47 34.049 2.012 -7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.037 3.789 -7.137 1.00 0.00 H new ATOM 752 N GLU A 48 30.512 2.811 -11.786 1.00 0.00 N ATOM 753 CA GLU A 48 29.752 3.472 -12.830 1.00 0.00 C ATOM 754 C GLU A 48 28.414 2.775 -13.055 1.00 0.00 C ATOM 755 O GLU A 48 27.504 3.338 -13.660 1.00 0.00 O ATOM 756 CB GLU A 48 30.550 3.500 -14.128 1.00 0.00 C ATOM 757 CG GLU A 48 31.324 4.792 -14.331 1.00 0.00 C ATOM 758 CD GLU A 48 30.692 5.686 -15.376 1.00 0.00 C ATOM 759 OE1 GLU A 48 29.725 5.250 -16.035 1.00 0.00 O ATOM 760 OE2 GLU A 48 31.164 6.829 -15.551 1.00 0.00 O ATOM 0 H GLU A 48 31.368 2.363 -12.113 1.00 0.00 H new ATOM 0 HA GLU A 48 29.557 4.496 -12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 48 31.247 2.662 -14.136 1.00 0.00 H new ATOM 0 HB3 GLU A 48 29.870 3.357 -14.968 1.00 0.00 H new ATOM 0 HG2 GLU A 48 31.383 5.330 -13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 48 32.346 4.557 -14.628 1.00 0.00 H new ATOM 767 N GLY A 49 28.302 1.548 -12.563 1.00 0.00 N ATOM 768 CA GLY A 49 27.044 0.829 -12.652 1.00 0.00 C ATOM 769 C GLY A 49 26.358 0.740 -11.307 1.00 0.00 C ATOM 770 O GLY A 49 25.156 0.981 -11.187 1.00 0.00 O ATOM 0 H GLY A 49 29.057 1.038 -12.105 1.00 0.00 H new ATOM 0 HA2 GLY A 49 26.388 1.330 -13.364 1.00 0.00 H new ATOM 0 HA3 GLY A 49 27.224 -0.175 -13.036 1.00 0.00 H new ATOM 774 N LEU A 50 27.146 0.417 -10.295 1.00 0.00 N ATOM 775 CA LEU A 50 26.684 0.260 -8.934 1.00 0.00 C ATOM 776 C LEU A 50 26.031 1.546 -8.413 1.00 0.00 C ATOM 777 O LEU A 50 24.923 1.521 -7.882 1.00 0.00 O ATOM 778 CB LEU A 50 27.905 -0.115 -8.103 1.00 0.00 C ATOM 779 CG LEU A 50 27.672 -0.748 -6.737 1.00 0.00 C ATOM 780 CD1 LEU A 50 28.295 0.147 -5.703 1.00 0.00 C ATOM 781 CD2 LEU A 50 26.197 -0.989 -6.442 1.00 0.00 C ATOM 0 H LEU A 50 28.147 0.254 -10.404 1.00 0.00 H new ATOM 0 HA LEU A 50 25.918 -0.513 -8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.511 -0.804 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.499 0.787 -7.956 1.00 0.00 H new ATOM 0 HG LEU A 50 28.135 -1.734 -6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 50 28.144 -0.281 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 50 29.363 0.241 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.830 1.132 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.092 -1.441 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.662 -0.040 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.780 -1.659 -7.194 1.00 0.00 H new ATOM 793 N ILE A 51 26.717 2.667 -8.573 1.00 0.00 N ATOM 794 CA ILE A 51 26.170 3.955 -8.151 1.00 0.00 C ATOM 795 C ILE A 51 24.944 4.313 -8.987 1.00 0.00 C ATOM 796 O ILE A 51 23.972 4.867 -8.479 1.00 0.00 O ATOM 797 CB ILE A 51 27.220 5.085 -8.256 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.414 4.776 -7.347 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.602 6.431 -7.893 1.00 0.00 C ATOM 800 CD1 ILE A 51 29.430 5.896 -7.263 1.00 0.00 C ATOM 0 H ILE A 51 27.647 2.716 -8.989 1.00 0.00 H new ATOM 0 HA ILE A 51 25.880 3.858 -7.105 1.00 0.00 H new ATOM 0 HB ILE A 51 27.570 5.142 -9.287 1.00 0.00 H new ATOM 0 HG12 ILE A 51 28.047 4.556 -6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 51 28.910 3.876 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.358 7.212 -7.973 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.780 6.650 -8.575 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.225 6.395 -6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.244 5.600 -6.601 1.00 0.00 H new ATOM 0 HD12 ILE A 51 29.827 6.102 -8.257 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.951 6.793 -6.871 1.00 0.00 H new ATOM 812 N SER A 52 24.979 3.957 -10.264 1.00 0.00 N ATOM 813 CA SER A 52 23.861 4.219 -11.160 1.00 0.00 C ATOM 814 C SER A 52 22.616 3.440 -10.735 1.00 0.00 C ATOM 815 O SER A 52 21.496 3.819 -11.071 1.00 0.00 O ATOM 816 CB SER A 52 24.244 3.879 -12.599 1.00 0.00 C ATOM 817 OG SER A 52 25.354 4.654 -13.014 1.00 0.00 O ATOM 0 H SER A 52 25.770 3.486 -10.703 1.00 0.00 H new ATOM 0 HA SER A 52 23.623 5.281 -11.103 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.484 2.819 -12.677 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.397 4.063 -13.260 1.00 0.00 H new ATOM 0 HG SER A 52 25.935 4.112 -13.589 1.00 0.00 H new ATOM 823 N ALA A 53 22.811 2.367 -9.977 1.00 0.00 N ATOM 824 CA ALA A 53 21.693 1.609 -9.429 1.00 0.00 C ATOM 825 C ALA A 53 20.942 2.447 -8.395 1.00 0.00 C ATOM 826 O ALA A 53 19.776 2.193 -8.098 1.00 0.00 O ATOM 827 CB ALA A 53 22.182 0.308 -8.812 1.00 0.00 C ATOM 0 H ALA A 53 23.731 2.003 -9.728 1.00 0.00 H new ATOM 0 HA ALA A 53 21.007 1.365 -10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.334 -0.245 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.677 -0.293 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.887 0.528 -8.010 1.00 0.00 H new ATOM 833 N HIS A 54 21.626 3.448 -7.851 1.00 0.00 N ATOM 834 CA HIS A 54 21.009 4.401 -6.937 1.00 0.00 C ATOM 835 C HIS A 54 20.487 5.601 -7.724 1.00 0.00 C ATOM 836 O HIS A 54 19.511 6.240 -7.332 1.00 0.00 O ATOM 837 CB HIS A 54 22.021 4.852 -5.878 1.00 0.00 C ATOM 838 CG HIS A 54 21.408 5.243 -4.566 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.735 4.360 -3.747 1.00 0.00 N ATOM 840 CD2 HIS A 54 21.397 6.431 -3.916 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.340 4.993 -2.657 1.00 0.00 C ATOM 842 NE2 HIS A 54 20.731 6.248 -2.736 1.00 0.00 N ATOM 0 H HIS A 54 22.615 3.620 -8.029 1.00 0.00 H new ATOM 0 HA HIS A 54 20.173 3.921 -6.428 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.734 4.045 -5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.585 5.699 -6.269 1.00 0.00 H new ATOM 0 HD1 HIS A 54 20.569 3.375 -3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.834 7.354 -4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.789 4.555 -1.838 1.00 0.00 H new ATOM 851 N ASP A 55 21.148 5.880 -8.842 1.00 0.00 N ATOM 852 CA ASP A 55 20.726 6.939 -9.762 1.00 0.00 C ATOM 853 C ASP A 55 19.347 6.632 -10.335 1.00 0.00 C ATOM 854 O ASP A 55 18.421 7.437 -10.225 1.00 0.00 O ATOM 855 CB ASP A 55 21.751 7.079 -10.899 1.00 0.00 C ATOM 856 CG ASP A 55 21.390 8.152 -11.913 1.00 0.00 C ATOM 857 OD1 ASP A 55 20.398 7.981 -12.651 1.00 0.00 O ATOM 858 OD2 ASP A 55 22.124 9.156 -12.004 1.00 0.00 O ATOM 0 H ASP A 55 21.988 5.383 -9.138 1.00 0.00 H new ATOM 0 HA ASP A 55 20.669 7.879 -9.212 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.727 7.308 -10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.845 6.122 -11.412 1.00 0.00 H new ATOM 863 N GLN A 56 19.210 5.452 -10.928 1.00 0.00 N ATOM 864 CA GLN A 56 17.934 5.022 -11.491 1.00 0.00 C ATOM 865 C GLN A 56 16.933 4.761 -10.378 1.00 0.00 C ATOM 866 O GLN A 56 15.725 4.787 -10.594 1.00 0.00 O ATOM 867 CB GLN A 56 18.115 3.767 -12.346 1.00 0.00 C ATOM 868 CG GLN A 56 19.323 3.834 -13.267 1.00 0.00 C ATOM 869 CD GLN A 56 18.945 3.905 -14.731 1.00 0.00 C ATOM 870 OE1 GLN A 56 17.985 3.271 -15.170 1.00 0.00 O ATOM 871 NE2 GLN A 56 19.684 4.687 -15.495 1.00 0.00 N ATOM 0 H GLN A 56 19.966 4.775 -11.032 1.00 0.00 H new ATOM 0 HA GLN A 56 17.553 5.819 -12.130 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.214 2.901 -11.691 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.218 3.612 -12.946 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.922 4.707 -13.009 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.949 2.957 -13.101 1.00 0.00 H new ATOM 0 HE21 GLN A 56 20.471 5.196 -15.093 1.00 0.00 H new ATOM 0 HE22 GLN A 56 19.468 4.783 -16.487 1.00 0.00 H new ATOM 880 N PHE A 57 17.453 4.532 -9.180 1.00 0.00 N ATOM 881 CA PHE A 57 16.618 4.355 -8.003 1.00 0.00 C ATOM 882 C PHE A 57 15.904 5.668 -7.691 1.00 0.00 C ATOM 883 O PHE A 57 14.757 5.679 -7.246 1.00 0.00 O ATOM 884 CB PHE A 57 17.488 3.890 -6.826 1.00 0.00 C ATOM 885 CG PHE A 57 16.835 3.996 -5.481 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.099 2.941 -4.968 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.958 5.150 -4.730 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.501 3.038 -3.730 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.360 5.253 -3.499 1.00 0.00 C ATOM 890 CZ PHE A 57 15.629 4.200 -2.995 1.00 0.00 C ATOM 0 H PHE A 57 18.454 4.464 -8.999 1.00 0.00 H new ATOM 0 HA PHE A 57 15.861 3.592 -8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.776 2.852 -6.993 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.406 4.478 -6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.993 2.033 -5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.531 5.980 -5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.934 2.208 -3.336 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.463 6.162 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.157 4.283 -2.027 1.00 0.00 H new ATOM 900 N LYS A 58 16.587 6.775 -7.966 1.00 0.00 N ATOM 901 CA LYS A 58 16.012 8.102 -7.809 1.00 0.00 C ATOM 902 C LYS A 58 14.926 8.342 -8.845 1.00 0.00 C ATOM 903 O LYS A 58 14.097 9.239 -8.703 1.00 0.00 O ATOM 904 CB LYS A 58 17.103 9.170 -7.947 1.00 0.00 C ATOM 905 CG LYS A 58 17.798 9.505 -6.638 1.00 0.00 C ATOM 906 CD LYS A 58 16.832 9.432 -5.472 1.00 0.00 C ATOM 907 CE LYS A 58 15.763 10.507 -5.569 1.00 0.00 C ATOM 908 NZ LYS A 58 15.904 11.541 -4.512 1.00 0.00 N ATOM 0 H LYS A 58 17.550 6.775 -8.302 1.00 0.00 H new ATOM 0 HA LYS A 58 15.569 8.167 -6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.847 8.826 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.660 10.078 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.624 8.813 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.227 10.505 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.361 8.449 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.380 9.545 -4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.817 10.982 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.779 10.045 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.153 12.252 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.826 11.094 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.832 12.002 -4.599 1.00 0.00 H new ATOM 922 N SER A 59 14.939 7.527 -9.883 1.00 0.00 N ATOM 923 CA SER A 59 13.966 7.632 -10.959 1.00 0.00 C ATOM 924 C SER A 59 12.767 6.722 -10.691 1.00 0.00 C ATOM 925 O SER A 59 11.655 6.994 -11.140 1.00 0.00 O ATOM 926 CB SER A 59 14.631 7.285 -12.292 1.00 0.00 C ATOM 927 OG SER A 59 16.026 7.557 -12.242 1.00 0.00 O ATOM 0 H SER A 59 15.619 6.777 -10.006 1.00 0.00 H new ATOM 0 HA SER A 59 13.600 8.657 -11.009 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.468 6.232 -12.522 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.171 7.861 -13.095 1.00 0.00 H new ATOM 0 HG SER A 59 16.435 7.327 -13.102 1.00 0.00 H new ATOM 933 N THR A 60 12.998 5.639 -9.952 1.00 0.00 N ATOM 934 CA THR A 60 11.916 4.756 -9.537 1.00 0.00 C ATOM 935 C THR A 60 11.151 5.339 -8.345 1.00 0.00 C ATOM 936 O THR A 60 10.013 4.953 -8.074 1.00 0.00 O ATOM 937 CB THR A 60 12.451 3.360 -9.162 1.00 0.00 C ATOM 938 OG1 THR A 60 13.676 3.102 -9.860 1.00 0.00 O ATOM 939 CG2 THR A 60 11.437 2.284 -9.505 1.00 0.00 C ATOM 0 H THR A 60 13.923 5.354 -9.630 1.00 0.00 H new ATOM 0 HA THR A 60 11.237 4.663 -10.384 1.00 0.00 H new ATOM 0 HB THR A 60 12.631 3.341 -8.087 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.011 2.214 -9.616 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.836 1.307 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.514 2.466 -8.955 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.232 2.305 -10.575 1.00 0.00 H new ATOM 947 N LEU A 61 11.782 6.278 -7.642 1.00 0.00 N ATOM 948 CA LEU A 61 11.190 6.885 -6.450 1.00 0.00 C ATOM 949 C LEU A 61 9.835 7.550 -6.737 1.00 0.00 C ATOM 950 O LEU A 61 8.858 7.218 -6.080 1.00 0.00 O ATOM 951 CB LEU A 61 12.159 7.889 -5.817 1.00 0.00 C ATOM 952 CG LEU A 61 13.205 7.288 -4.874 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.643 8.314 -3.848 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.669 6.045 -4.183 1.00 0.00 C ATOM 0 H LEU A 61 12.707 6.637 -7.878 1.00 0.00 H new ATOM 0 HA LEU A 61 11.004 6.077 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.677 8.421 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.579 8.629 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 61 14.069 6.997 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.387 7.871 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.077 9.175 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.781 8.635 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.433 5.639 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.784 6.305 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.405 5.298 -4.931 1.00 0.00 H new ATOM 966 N PRO A 62 9.738 8.486 -7.710 1.00 0.00 N ATOM 967 CA PRO A 62 8.466 9.162 -8.022 1.00 0.00 C ATOM 968 C PRO A 62 7.350 8.183 -8.390 1.00 0.00 C ATOM 969 O PRO A 62 6.172 8.440 -8.137 1.00 0.00 O ATOM 970 CB PRO A 62 8.807 10.064 -9.218 1.00 0.00 C ATOM 971 CG PRO A 62 10.101 9.545 -9.748 1.00 0.00 C ATOM 972 CD PRO A 62 10.830 8.977 -8.569 1.00 0.00 C ATOM 0 HA PRO A 62 8.086 9.709 -7.159 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.026 10.022 -9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.898 11.106 -8.911 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.934 8.782 -10.508 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.678 10.342 -10.217 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.506 8.174 -8.861 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.432 9.733 -8.064 1.00 0.00 H new ATOM 980 N ASP A 63 7.732 7.054 -8.972 1.00 0.00 N ATOM 981 CA ASP A 63 6.775 6.019 -9.346 1.00 0.00 C ATOM 982 C ASP A 63 6.284 5.282 -8.106 1.00 0.00 C ATOM 983 O ASP A 63 5.080 5.132 -7.889 1.00 0.00 O ATOM 984 CB ASP A 63 7.420 5.032 -10.319 1.00 0.00 C ATOM 985 CG ASP A 63 6.409 4.152 -11.034 1.00 0.00 C ATOM 986 OD1 ASP A 63 5.192 4.409 -10.918 1.00 0.00 O ATOM 987 OD2 ASP A 63 6.836 3.204 -11.729 1.00 0.00 O ATOM 0 H ASP A 63 8.702 6.830 -9.196 1.00 0.00 H new ATOM 0 HA ASP A 63 5.923 6.492 -9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.998 5.586 -11.059 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.122 4.400 -9.774 1.00 0.00 H new ATOM 992 N ALA A 64 7.226 4.843 -7.283 1.00 0.00 N ATOM 993 CA ALA A 64 6.904 4.110 -6.069 1.00 0.00 C ATOM 994 C ALA A 64 6.208 5.013 -5.048 1.00 0.00 C ATOM 995 O ALA A 64 5.345 4.562 -4.294 1.00 0.00 O ATOM 996 CB ALA A 64 8.166 3.496 -5.482 1.00 0.00 C ATOM 0 H ALA A 64 8.225 4.983 -7.436 1.00 0.00 H new ATOM 0 HA ALA A 64 6.211 3.308 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.916 2.949 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.609 2.813 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.879 4.286 -5.245 1.00 0.00 H new ATOM 1002 N ASP A 65 6.580 6.290 -5.033 1.00 0.00 N ATOM 1003 CA ASP A 65 5.952 7.263 -4.140 1.00 0.00 C ATOM 1004 C ASP A 65 4.463 7.367 -4.444 1.00 0.00 C ATOM 1005 O ASP A 65 3.631 7.420 -3.538 1.00 0.00 O ATOM 1006 CB ASP A 65 6.605 8.642 -4.284 1.00 0.00 C ATOM 1007 CG ASP A 65 5.766 9.753 -3.674 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.801 9.926 -2.435 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.077 10.468 -4.431 1.00 0.00 O ATOM 0 H ASP A 65 7.313 6.676 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 65 6.090 6.920 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.585 8.628 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.769 8.854 -5.341 1.00 0.00 H new ATOM 1014 N ARG A 66 4.144 7.372 -5.735 1.00 0.00 N ATOM 1015 CA ARG A 66 2.767 7.425 -6.192 1.00 0.00 C ATOM 1016 C ARG A 66 1.979 6.236 -5.659 1.00 0.00 C ATOM 1017 O ARG A 66 0.855 6.386 -5.180 1.00 0.00 O ATOM 1018 CB ARG A 66 2.733 7.420 -7.718 1.00 0.00 C ATOM 1019 CG ARG A 66 2.381 8.762 -8.329 1.00 0.00 C ATOM 1020 CD ARG A 66 2.982 8.909 -9.718 1.00 0.00 C ATOM 1021 NE ARG A 66 3.585 10.223 -9.918 1.00 0.00 N ATOM 1022 CZ ARG A 66 2.896 11.322 -10.225 1.00 0.00 C ATOM 1023 NH1 ARG A 66 1.579 11.266 -10.383 1.00 0.00 N ATOM 1024 NH2 ARG A 66 3.534 12.474 -10.378 1.00 0.00 N ATOM 0 H ARG A 66 4.832 7.339 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 66 2.311 8.341 -5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.707 7.106 -8.092 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.008 6.678 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.297 8.865 -8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.744 9.564 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.737 8.137 -9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.207 8.748 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 66 4.597 10.305 -9.817 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.089 10.379 -10.269 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.057 12.110 -10.618 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.546 12.516 -10.261 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.012 13.319 -10.613 1.00 0.00 H new ATOM 1038 N GLU A 67 2.596 5.062 -5.725 1.00 0.00 N ATOM 1039 CA GLU A 67 1.967 3.827 -5.276 1.00 0.00 C ATOM 1040 C GLU A 67 1.572 3.911 -3.806 1.00 0.00 C ATOM 1041 O GLU A 67 0.489 3.476 -3.430 1.00 0.00 O ATOM 1042 CB GLU A 67 2.902 2.637 -5.495 1.00 0.00 C ATOM 1043 CG GLU A 67 2.789 2.020 -6.877 1.00 0.00 C ATOM 1044 CD GLU A 67 1.503 1.236 -7.064 1.00 0.00 C ATOM 1045 OE1 GLU A 67 1.455 0.060 -6.660 1.00 0.00 O ATOM 1046 OE2 GLU A 67 0.539 1.794 -7.642 1.00 0.00 O ATOM 0 H GLU A 67 3.541 4.940 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 67 1.063 3.683 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.931 2.960 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.686 1.874 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.842 2.808 -7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.640 1.360 -7.047 1.00 0.00 H new ATOM 1053 N ARG A 68 2.437 4.492 -2.981 1.00 0.00 N ATOM 1054 CA ARG A 68 2.170 4.586 -1.552 1.00 0.00 C ATOM 1055 C ARG A 68 0.928 5.433 -1.284 1.00 0.00 C ATOM 1056 O ARG A 68 0.155 5.140 -0.372 1.00 0.00 O ATOM 1057 CB ARG A 68 3.396 5.145 -0.816 1.00 0.00 C ATOM 1058 CG ARG A 68 3.319 6.622 -0.465 1.00 0.00 C ATOM 1059 CD ARG A 68 4.489 7.027 0.402 1.00 0.00 C ATOM 1060 NE ARG A 68 5.095 8.283 -0.024 1.00 0.00 N ATOM 1061 CZ ARG A 68 5.572 9.207 0.811 1.00 0.00 C ATOM 1062 NH1 ARG A 68 5.430 9.068 2.126 1.00 0.00 N ATOM 1063 NH2 ARG A 68 6.174 10.279 0.327 1.00 0.00 N ATOM 0 H ARG A 68 3.323 4.902 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 68 1.973 3.585 -1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.540 4.576 0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.278 4.980 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.313 7.218 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.385 6.829 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.155 7.121 1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.242 6.239 0.381 1.00 0.00 H new ATOM 0 HE ARG A 68 5.158 8.467 -1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.953 8.249 2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.798 9.780 2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.272 10.397 -0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.540 10.988 0.962 1.00 0.00 H new ATOM 1077 N GLU A 69 0.721 6.457 -2.098 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.434 7.320 -1.937 1.00 0.00 C ATOM 1079 C GLU A 69 -1.667 6.689 -2.580 1.00 0.00 C ATOM 1080 O GLU A 69 -2.784 6.866 -2.102 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.169 8.702 -2.528 1.00 0.00 C ATOM 1082 CG GLU A 69 -0.437 9.831 -1.545 1.00 0.00 C ATOM 1083 CD GLU A 69 0.832 10.503 -1.063 1.00 0.00 C ATOM 1084 OE1 GLU A 69 1.537 11.116 -1.893 1.00 0.00 O ATOM 1085 OE2 GLU A 69 1.119 10.439 0.148 1.00 0.00 O ATOM 0 H GLU A 69 1.336 6.708 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.622 7.439 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.868 8.756 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.794 8.840 -3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.079 10.574 -2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.983 9.438 -0.687 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.452 5.939 -3.656 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.535 5.217 -4.318 1.00 0.00 C ATOM 1094 C ALA A 70 -2.993 4.039 -3.464 1.00 0.00 C ATOM 1095 O ALA A 70 -4.120 3.565 -3.579 1.00 0.00 O ATOM 1096 CB ALA A 70 -2.089 4.740 -5.695 1.00 0.00 C ATOM 0 H ALA A 70 -0.537 5.815 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.378 5.896 -4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.906 4.203 -6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.810 5.599 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.231 4.076 -5.590 1.00 0.00 H new ATOM 1102 N ILE A 71 -2.113 3.604 -2.576 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.396 2.496 -1.684 1.00 0.00 C ATOM 1104 C ILE A 71 -3.177 3.033 -0.499 1.00 0.00 C ATOM 1105 O ILE A 71 -4.127 2.414 -0.009 1.00 0.00 O ATOM 1106 CB ILE A 71 -1.088 1.792 -1.225 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.868 0.520 -2.040 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -1.094 1.462 0.261 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.525 0.412 -2.611 1.00 0.00 C ATOM 0 H ILE A 71 -1.185 4.010 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.987 1.743 -2.206 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.269 2.490 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.063 -0.347 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.591 0.489 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.158 0.972 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.200 2.381 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.928 0.796 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.615 -0.514 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.716 1.260 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.252 0.412 -1.799 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.783 4.222 -0.073 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.518 4.954 0.932 1.00 0.00 C ATOM 1123 C LEU A 72 -4.880 5.339 0.389 1.00 0.00 C ATOM 1124 O LEU A 72 -5.859 5.403 1.129 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.750 6.205 1.325 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.815 6.024 2.512 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -0.770 7.119 2.525 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -2.616 6.014 3.800 1.00 0.00 C ATOM 0 H LEU A 72 -1.949 4.700 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.646 4.323 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.167 6.543 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.463 6.996 1.557 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.298 5.068 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.107 6.979 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.189 7.078 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.261 8.089 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.942 5.884 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.151 6.958 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.332 5.192 3.777 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.927 5.581 -0.915 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.172 5.926 -1.591 1.00 0.00 C ATOM 1142 C ALA A 73 -7.162 4.766 -1.523 1.00 0.00 C ATOM 1143 O ALA A 73 -8.334 4.957 -1.204 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.908 6.318 -3.035 1.00 0.00 C ATOM 0 H ALA A 73 -4.113 5.544 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.611 6.782 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.850 6.572 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.242 7.180 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.442 5.483 -3.559 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.676 3.563 -1.805 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.496 2.361 -1.707 1.00 0.00 C ATOM 1152 C ILE A 74 -7.990 2.164 -0.272 1.00 0.00 C ATOM 1153 O ILE A 74 -9.146 1.803 -0.036 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.706 1.110 -2.158 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.365 1.199 -3.647 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.493 -0.159 -1.876 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -5.113 0.437 -4.028 1.00 0.00 C ATOM 0 H ILE A 74 -5.716 3.394 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.353 2.490 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.778 1.073 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.204 0.816 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.240 2.247 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.916 -1.025 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.689 -0.235 -0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.439 -0.128 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.933 0.545 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.262 0.835 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.241 -0.618 -3.786 1.00 0.00 H new ATOM 1169 N HIS A 75 -7.116 2.433 0.689 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.451 2.261 2.096 1.00 0.00 C ATOM 1171 C HIS A 75 -8.353 3.385 2.582 1.00 0.00 C ATOM 1172 O HIS A 75 -8.953 3.283 3.639 1.00 0.00 O ATOM 1173 CB HIS A 75 -6.151 2.142 2.929 1.00 0.00 C ATOM 1174 CG HIS A 75 -6.018 3.056 4.119 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.897 2.594 5.408 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -5.949 4.406 4.202 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.755 3.618 6.229 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.784 4.729 5.524 1.00 0.00 N ATOM 0 H HIS A 75 -6.169 2.772 0.519 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.015 1.337 2.225 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.066 1.114 3.280 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.305 2.323 2.266 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.012 5.101 3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.635 3.555 7.300 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.698 5.674 5.899 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.463 4.443 1.803 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.303 5.566 2.182 1.00 0.00 C ATOM 1189 C LYS A 76 -10.759 5.124 2.244 1.00 0.00 C ATOM 1190 O LYS A 76 -11.461 5.420 3.208 1.00 0.00 O ATOM 1191 CB LYS A 76 -9.106 6.736 1.205 1.00 0.00 C ATOM 1192 CG LYS A 76 -10.370 7.523 0.890 1.00 0.00 C ATOM 1193 CD LYS A 76 -10.682 7.488 -0.595 1.00 0.00 C ATOM 1194 CE LYS A 76 -11.516 8.684 -1.016 1.00 0.00 C ATOM 1195 NZ LYS A 76 -12.781 8.271 -1.677 1.00 0.00 N ATOM 0 H LYS A 76 -7.985 4.550 0.908 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.014 5.916 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.364 7.418 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.695 6.348 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.208 7.109 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.249 8.556 1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.752 7.474 -1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.216 6.568 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.745 9.293 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.938 9.309 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.046 8.978 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.648 7.347 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.537 8.199 -0.966 1.00 0.00 H new ATOM 1209 N GLU A 77 -11.190 4.372 1.242 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.552 3.857 1.208 1.00 0.00 C ATOM 1211 C GLU A 77 -12.669 2.648 2.120 1.00 0.00 C ATOM 1212 O GLU A 77 -13.682 2.443 2.787 1.00 0.00 O ATOM 1213 CB GLU A 77 -12.944 3.472 -0.218 1.00 0.00 C ATOM 1214 CG GLU A 77 -14.248 4.100 -0.680 1.00 0.00 C ATOM 1215 CD GLU A 77 -14.038 5.423 -1.384 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -13.019 5.573 -2.093 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -14.889 6.324 -1.235 1.00 0.00 O ATOM 0 H GLU A 77 -10.617 4.105 0.442 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.228 4.638 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.146 3.769 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.030 2.387 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.760 3.412 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.900 4.250 0.181 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.595 1.873 2.172 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.575 0.629 2.926 1.00 0.00 C ATOM 1226 C ALA A 78 -11.334 0.872 4.412 1.00 0.00 C ATOM 1227 O ALA A 78 -11.253 -0.074 5.199 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.516 -0.306 2.367 1.00 0.00 C ATOM 0 H ALA A 78 -10.719 2.087 1.696 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.555 0.164 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.511 -1.233 2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.739 -0.525 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.538 0.169 2.437 1.00 0.00 H new ATOM 1234 N GLN A 79 -11.181 2.129 4.788 1.00 0.00 N ATOM 1235 CA GLN A 79 -11.014 2.473 6.192 1.00 0.00 C ATOM 1236 C GLN A 79 -12.079 3.443 6.668 1.00 0.00 C ATOM 1237 O GLN A 79 -12.541 3.341 7.795 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.629 3.063 6.447 1.00 0.00 C ATOM 1239 CG GLN A 79 -9.033 2.623 7.768 1.00 0.00 C ATOM 1240 CD GLN A 79 -8.191 1.371 7.632 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -6.986 1.383 7.864 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -8.821 0.283 7.237 1.00 0.00 N ATOM 0 H GLN A 79 -11.169 2.924 4.149 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.120 1.548 6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.961 2.770 5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.694 4.151 6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.420 3.428 8.173 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.835 2.442 8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.824 0.313 7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.306 -0.589 7.114 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.487 4.356 5.802 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.447 5.400 6.177 1.00 0.00 C ATOM 1253 C ARG A 80 -14.762 4.799 6.663 1.00 0.00 C ATOM 1254 O ARG A 80 -15.472 5.402 7.465 1.00 0.00 O ATOM 1255 CB ARG A 80 -13.695 6.371 5.014 1.00 0.00 C ATOM 1256 CG ARG A 80 -14.603 5.831 3.917 1.00 0.00 C ATOM 1257 CD ARG A 80 -15.929 6.580 3.858 1.00 0.00 C ATOM 1258 NE ARG A 80 -15.753 8.024 3.691 1.00 0.00 N ATOM 1259 CZ ARG A 80 -16.255 8.728 2.673 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -16.924 8.112 1.703 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -16.081 10.044 2.623 1.00 0.00 N ATOM 0 H ARG A 80 -12.173 4.402 4.833 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.009 5.962 7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.132 7.287 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.735 6.641 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.097 5.911 2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.792 4.772 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.525 6.192 3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.491 6.390 4.773 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.213 8.524 4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -17.054 7.101 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -17.307 8.651 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.563 10.518 3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.465 10.580 1.845 1.00 0.00 H new ATOM 1275 N ILE A 81 -15.074 3.605 6.186 1.00 0.00 N ATOM 1276 CA ILE A 81 -16.266 2.898 6.622 1.00 0.00 C ATOM 1277 C ILE A 81 -16.091 2.391 8.054 1.00 0.00 C ATOM 1278 O ILE A 81 -17.042 2.309 8.820 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.595 1.713 5.685 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -15.431 0.726 5.622 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.923 2.212 4.288 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -15.611 -0.467 6.527 1.00 0.00 C ATOM 0 H ILE A 81 -14.516 3.104 5.495 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.097 3.602 6.587 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.465 1.198 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -15.312 0.380 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.510 1.243 5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.152 1.364 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.785 2.877 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -16.067 2.754 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.749 -1.128 6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.700 -0.130 7.560 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -16.514 -1.007 6.242 1.00 0.00 H new ATOM 1294 N ALA A 82 -14.854 2.076 8.411 1.00 0.00 N ATOM 1295 CA ALA A 82 -14.540 1.547 9.731 1.00 0.00 C ATOM 1296 C ALA A 82 -14.287 2.676 10.721 1.00 0.00 C ATOM 1297 O ALA A 82 -14.286 2.467 11.934 1.00 0.00 O ATOM 1298 CB ALA A 82 -13.328 0.630 9.659 1.00 0.00 C ATOM 0 H ALA A 82 -14.045 2.179 7.799 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.397 0.971 10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.105 0.242 10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.539 -0.200 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.470 1.190 9.287 1.00 0.00 H new ATOM 1304 N GLU A 83 -14.062 3.870 10.198 1.00 0.00 N ATOM 1305 CA GLU A 83 -13.849 5.036 11.039 1.00 0.00 C ATOM 1306 C GLU A 83 -15.187 5.603 11.509 1.00 0.00 C ATOM 1307 O GLU A 83 -15.258 6.304 12.517 1.00 0.00 O ATOM 1308 CB GLU A 83 -13.047 6.100 10.285 1.00 0.00 C ATOM 1309 CG GLU A 83 -11.792 5.560 9.609 1.00 0.00 C ATOM 1310 CD GLU A 83 -10.628 5.391 10.562 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -10.859 5.224 11.779 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -9.469 5.419 10.096 1.00 0.00 O ATOM 0 H GLU A 83 -14.022 4.057 9.196 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.276 4.733 11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.687 6.557 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.763 6.889 10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.020 4.598 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.500 6.236 8.805 1.00 0.00 H new ATOM 1479 N TYR A 95 -6.147 -9.522 4.195 1.00 0.00 N ATOM 1480 CA TYR A 95 -5.246 -9.916 3.116 1.00 0.00 C ATOM 1481 C TYR A 95 -3.883 -9.240 3.254 1.00 0.00 C ATOM 1482 O TYR A 95 -2.848 -9.866 3.037 1.00 0.00 O ATOM 1483 CB TYR A 95 -5.844 -9.572 1.745 1.00 0.00 C ATOM 1484 CG TYR A 95 -7.314 -9.906 1.586 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -7.866 -11.047 2.158 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -8.147 -9.077 0.850 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -9.205 -11.346 2.001 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -9.483 -9.369 0.690 1.00 0.00 C ATOM 1489 CZ TYR A 95 -10.010 -10.503 1.266 1.00 0.00 C ATOM 1490 OH TYR A 95 -11.344 -10.799 1.104 1.00 0.00 O ATOM 0 HA TYR A 95 -5.114 -10.995 3.190 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.707 -8.506 1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.281 -10.102 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.237 -11.710 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.741 -8.186 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -9.619 -12.236 2.452 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.116 -8.710 0.114 1.00 0.00 H new ATOM 0 HH TYR A 95 -11.852 -10.443 1.863 1.00 0.00 H new ATOM 1500 N THR A 96 -3.890 -7.968 3.620 1.00 0.00 N ATOM 1501 CA THR A 96 -2.666 -7.183 3.662 1.00 0.00 C ATOM 1502 C THR A 96 -2.411 -6.652 5.069 1.00 0.00 C ATOM 1503 O THR A 96 -2.831 -5.548 5.417 1.00 0.00 O ATOM 1504 CB THR A 96 -2.729 -6.015 2.650 1.00 0.00 C ATOM 1505 OG1 THR A 96 -1.751 -5.018 2.965 1.00 0.00 O ATOM 1506 CG2 THR A 96 -4.114 -5.382 2.630 1.00 0.00 C ATOM 0 H THR A 96 -4.730 -7.457 3.892 1.00 0.00 H new ATOM 0 HA THR A 96 -1.838 -7.836 3.385 1.00 0.00 H new ATOM 0 HB THR A 96 -2.516 -6.424 1.662 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.101 -4.132 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.130 -4.564 1.910 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.852 -6.131 2.344 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.353 -4.997 3.622 1.00 0.00 H new ATOM 1514 N THR A 97 -1.718 -7.448 5.871 1.00 0.00 N ATOM 1515 CA THR A 97 -1.406 -7.092 7.247 1.00 0.00 C ATOM 1516 C THR A 97 -0.701 -5.740 7.324 1.00 0.00 C ATOM 1517 O THR A 97 -0.876 -4.983 8.285 1.00 0.00 O ATOM 1518 CB THR A 97 -0.506 -8.160 7.880 1.00 0.00 C ATOM 1519 OG1 THR A 97 -0.944 -9.470 7.484 1.00 0.00 O ATOM 1520 CG2 THR A 97 -0.516 -8.034 9.390 1.00 0.00 C ATOM 0 H THR A 97 -1.357 -8.358 5.586 1.00 0.00 H new ATOM 0 HA THR A 97 -2.348 -7.029 7.792 1.00 0.00 H new ATOM 0 HB THR A 97 0.515 -8.010 7.530 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.363 -10.146 7.891 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.128 -8.799 9.823 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.150 -7.048 9.675 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.533 -8.164 9.759 1.00 0.00 H new ATOM 1528 N VAL A 98 0.102 -5.464 6.308 1.00 0.00 N ATOM 1529 CA VAL A 98 0.795 -4.189 6.174 1.00 0.00 C ATOM 1530 C VAL A 98 -0.187 -3.016 6.307 1.00 0.00 C ATOM 1531 O VAL A 98 -1.216 -2.954 5.626 1.00 0.00 O ATOM 1532 CB VAL A 98 1.587 -4.111 4.829 1.00 0.00 C ATOM 1533 CG1 VAL A 98 1.308 -5.326 3.955 1.00 0.00 C ATOM 1534 CG2 VAL A 98 1.286 -2.833 4.056 1.00 0.00 C ATOM 0 H VAL A 98 0.293 -6.119 5.550 1.00 0.00 H new ATOM 0 HA VAL A 98 1.519 -4.116 6.986 1.00 0.00 H new ATOM 0 HB VAL A 98 2.645 -4.100 5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.873 -5.244 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.608 -6.231 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.243 -5.375 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.860 -2.825 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.222 -2.790 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.561 -1.969 4.661 1.00 0.00 H new ATOM 1544 N THR A 99 0.127 -2.118 7.225 1.00 0.00 N ATOM 1545 CA THR A 99 -0.694 -0.949 7.485 1.00 0.00 C ATOM 1546 C THR A 99 -0.121 0.277 6.777 1.00 0.00 C ATOM 1547 O THR A 99 1.062 0.300 6.429 1.00 0.00 O ATOM 1548 CB THR A 99 -0.757 -0.699 9.003 1.00 0.00 C ATOM 1549 OG1 THR A 99 0.159 -1.581 9.664 1.00 0.00 O ATOM 1550 CG2 THR A 99 -2.157 -0.944 9.533 1.00 0.00 C ATOM 0 H THR A 99 0.959 -2.179 7.811 1.00 0.00 H new ATOM 0 HA THR A 99 -1.699 -1.128 7.102 1.00 0.00 H new ATOM 0 HB THR A 99 -0.488 0.339 9.197 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.090 -1.663 10.608 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.177 -0.761 10.607 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.857 -0.271 9.037 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.445 -1.976 9.336 1.00 0.00 H new ATOM 1558 N PRO A 100 -0.947 1.313 6.553 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.524 2.549 5.880 1.00 0.00 C ATOM 1560 C PRO A 100 0.685 3.193 6.551 1.00 0.00 C ATOM 1561 O PRO A 100 1.613 3.636 5.881 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.749 3.468 5.996 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.623 2.834 7.023 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.367 1.363 6.921 1.00 0.00 C ATOM 0 HA PRO A 100 -0.215 2.359 4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.458 4.475 6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.266 3.556 5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.387 3.204 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.673 3.062 6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.560 0.851 7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.998 0.892 6.167 1.00 0.00 H new ATOM 1572 N GLN A 101 0.674 3.225 7.876 1.00 0.00 N ATOM 1573 CA GLN A 101 1.768 3.815 8.634 1.00 0.00 C ATOM 1574 C GLN A 101 3.022 2.972 8.486 1.00 0.00 C ATOM 1575 O GLN A 101 4.131 3.497 8.392 1.00 0.00 O ATOM 1576 CB GLN A 101 1.383 3.932 10.109 1.00 0.00 C ATOM 1577 CG GLN A 101 0.493 5.127 10.408 1.00 0.00 C ATOM 1578 CD GLN A 101 -0.943 4.919 9.966 1.00 0.00 C ATOM 1579 OE1 GLN A 101 -1.433 3.789 9.901 1.00 0.00 O ATOM 1580 NE2 GLN A 101 -1.625 6.007 9.651 1.00 0.00 N ATOM 0 H GLN A 101 -0.081 2.849 8.449 1.00 0.00 H new ATOM 0 HA GLN A 101 1.968 4.813 8.243 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.870 3.021 10.416 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.290 4.005 10.709 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.513 5.329 11.479 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.897 6.008 9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -1.183 6.924 9.718 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -2.594 5.930 9.341 1.00 0.00 H new ATOM 1589 N ILE A 102 2.833 1.664 8.435 1.00 0.00 N ATOM 1590 CA ILE A 102 3.938 0.736 8.283 1.00 0.00 C ATOM 1591 C ILE A 102 4.643 0.958 6.943 1.00 0.00 C ATOM 1592 O ILE A 102 5.865 0.898 6.860 1.00 0.00 O ATOM 1593 CB ILE A 102 3.451 -0.733 8.427 1.00 0.00 C ATOM 1594 CG1 ILE A 102 3.812 -1.268 9.814 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.033 -1.641 7.349 1.00 0.00 C ATOM 1596 CD1 ILE A 102 3.009 -0.640 10.931 1.00 0.00 C ATOM 0 H ILE A 102 1.917 1.220 8.497 1.00 0.00 H new ATOM 0 HA ILE A 102 4.659 0.924 9.079 1.00 0.00 H new ATOM 0 HB ILE A 102 2.368 -0.733 8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.659 -2.347 9.830 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.872 -1.094 9.997 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.664 -2.657 7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.731 -1.279 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.121 -1.637 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.318 -1.067 11.885 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.181 0.436 10.942 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.949 -0.836 10.772 1.00 0.00 H new ATOM 1608 N ILE A 103 3.865 1.249 5.908 1.00 0.00 N ATOM 1609 CA ILE A 103 4.419 1.474 4.584 1.00 0.00 C ATOM 1610 C ILE A 103 4.917 2.919 4.428 1.00 0.00 C ATOM 1611 O ILE A 103 5.935 3.165 3.787 1.00 0.00 O ATOM 1612 CB ILE A 103 3.395 1.113 3.472 1.00 0.00 C ATOM 1613 CG1 ILE A 103 4.118 0.552 2.251 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.534 2.303 3.074 1.00 0.00 C ATOM 1615 CD1 ILE A 103 3.574 -0.777 1.779 1.00 0.00 C ATOM 0 H ILE A 103 2.850 1.334 5.962 1.00 0.00 H new ATOM 0 HA ILE A 103 5.277 0.811 4.471 1.00 0.00 H new ATOM 0 HB ILE A 103 2.728 0.353 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.049 1.273 1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.176 0.438 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.834 2.001 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.979 2.657 3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.171 3.104 2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.138 -1.112 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.668 -1.513 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.524 -0.665 1.510 1.00 0.00 H new ATOM 1627 N ASN A 104 4.225 3.864 5.054 1.00 0.00 N ATOM 1628 CA ASN A 104 4.574 5.275 4.921 1.00 0.00 C ATOM 1629 C ASN A 104 5.879 5.591 5.638 1.00 0.00 C ATOM 1630 O ASN A 104 6.793 6.173 5.050 1.00 0.00 O ATOM 1631 CB ASN A 104 3.453 6.164 5.461 1.00 0.00 C ATOM 1632 CG ASN A 104 3.043 7.235 4.468 1.00 0.00 C ATOM 1633 OD1 ASN A 104 3.664 7.393 3.417 1.00 0.00 O ATOM 1634 ND2 ASN A 104 1.996 7.979 4.789 1.00 0.00 N ATOM 0 H ASN A 104 3.422 3.681 5.656 1.00 0.00 H new ATOM 0 HA ASN A 104 4.707 5.481 3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.588 5.547 5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.780 6.636 6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 104 1.679 8.713 4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.507 7.818 5.669 1.00 0.00 H new ATOM 1641 N SER A 105 5.972 5.197 6.903 1.00 0.00 N ATOM 1642 CA SER A 105 7.178 5.438 7.686 1.00 0.00 C ATOM 1643 C SER A 105 8.356 4.618 7.152 1.00 0.00 C ATOM 1644 O SER A 105 9.518 4.983 7.347 1.00 0.00 O ATOM 1645 CB SER A 105 6.923 5.115 9.156 1.00 0.00 C ATOM 1646 OG SER A 105 5.684 5.656 9.589 1.00 0.00 O ATOM 0 H SER A 105 5.230 4.711 7.407 1.00 0.00 H new ATOM 0 HA SER A 105 7.438 6.493 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.922 4.034 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.732 5.517 9.766 1.00 0.00 H new ATOM 0 HG SER A 105 4.959 5.037 9.361 1.00 0.00 H new ATOM 1652 N LYS A 106 8.053 3.518 6.467 1.00 0.00 N ATOM 1653 CA LYS A 106 9.087 2.694 5.851 1.00 0.00 C ATOM 1654 C LYS A 106 9.694 3.423 4.660 1.00 0.00 C ATOM 1655 O LYS A 106 10.911 3.418 4.467 1.00 0.00 O ATOM 1656 CB LYS A 106 8.511 1.351 5.402 1.00 0.00 C ATOM 1657 CG LYS A 106 8.996 0.172 6.225 1.00 0.00 C ATOM 1658 CD LYS A 106 8.969 -1.114 5.415 1.00 0.00 C ATOM 1659 CE LYS A 106 8.189 -2.208 6.126 1.00 0.00 C ATOM 1660 NZ LYS A 106 8.273 -3.503 5.402 1.00 0.00 N ATOM 0 H LYS A 106 7.102 3.178 6.325 1.00 0.00 H new ATOM 0 HA LYS A 106 9.865 2.507 6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.423 1.397 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.772 1.185 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.010 0.363 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.369 0.061 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.520 -0.921 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.989 -1.452 5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.575 -2.331 7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.145 -1.909 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.256 -4.285 6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.464 -3.592 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.158 -3.539 4.857 1.00 0.00 H new ATOM 1674 N TRP A 107 8.837 4.058 3.869 1.00 0.00 N ATOM 1675 CA TRP A 107 9.277 4.875 2.747 1.00 0.00 C ATOM 1676 C TRP A 107 10.198 5.983 3.240 1.00 0.00 C ATOM 1677 O TRP A 107 11.227 6.277 2.629 1.00 0.00 O ATOM 1678 CB TRP A 107 8.065 5.472 2.031 1.00 0.00 C ATOM 1679 CG TRP A 107 8.418 6.410 0.919 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.578 7.761 0.995 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.652 6.055 -0.439 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.894 8.269 -0.239 1.00 0.00 N ATOM 1683 CE2 TRP A 107 8.946 7.237 -1.139 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.641 4.847 -1.128 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.224 7.240 -2.503 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.919 4.852 -2.478 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.208 6.041 -3.152 1.00 0.00 C ATOM 0 H TRP A 107 7.824 4.021 3.987 1.00 0.00 H new ATOM 0 HA TRP A 107 9.827 4.250 2.044 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.457 4.661 1.630 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.450 6.002 2.759 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.471 8.347 1.896 1.00 0.00 H new ATOM 0 HE1 TRP A 107 9.062 9.252 -0.452 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.419 3.923 -0.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.444 8.158 -3.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.913 3.920 -3.024 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.423 6.010 -4.210 1.00 0.00 H new ATOM 1698 N GLU A 108 9.820 6.581 4.360 1.00 0.00 N ATOM 1699 CA GLU A 108 10.606 7.621 4.983 1.00 0.00 C ATOM 1700 C GLU A 108 11.986 7.091 5.362 1.00 0.00 C ATOM 1701 O GLU A 108 13.001 7.762 5.166 1.00 0.00 O ATOM 1702 CB GLU A 108 9.868 8.116 6.217 1.00 0.00 C ATOM 1703 CG GLU A 108 8.747 9.088 5.907 1.00 0.00 C ATOM 1704 CD GLU A 108 9.223 10.520 5.867 1.00 0.00 C ATOM 1705 OE1 GLU A 108 9.964 10.926 6.783 1.00 0.00 O ATOM 1706 OE2 GLU A 108 8.859 11.249 4.919 1.00 0.00 O ATOM 0 H GLU A 108 8.959 6.355 4.858 1.00 0.00 H new ATOM 0 HA GLU A 108 10.745 8.446 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.457 7.260 6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.580 8.598 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.300 8.829 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.965 8.989 6.660 1.00 0.00 H new ATOM 1713 N LYS A 109 12.011 5.865 5.878 1.00 0.00 N ATOM 1714 CA LYS A 109 13.256 5.215 6.264 1.00 0.00 C ATOM 1715 C LYS A 109 14.121 4.936 5.042 1.00 0.00 C ATOM 1716 O LYS A 109 15.344 4.893 5.136 1.00 0.00 O ATOM 1717 CB LYS A 109 12.970 3.908 7.005 1.00 0.00 C ATOM 1718 CG LYS A 109 12.664 4.098 8.478 1.00 0.00 C ATOM 1719 CD LYS A 109 12.332 2.775 9.150 1.00 0.00 C ATOM 1720 CE LYS A 109 12.179 2.940 10.653 1.00 0.00 C ATOM 1721 NZ LYS A 109 13.311 2.330 11.397 1.00 0.00 N ATOM 0 H LYS A 109 11.177 5.300 6.038 1.00 0.00 H new ATOM 0 HA LYS A 109 13.796 5.889 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.127 3.408 6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.831 3.247 6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.521 4.555 8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.826 4.786 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.409 2.374 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.119 2.051 8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.114 4.000 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.244 2.481 10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 13.168 2.465 12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.358 1.313 11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.201 2.785 11.109 1.00 0.00 H new ATOM 1735 N VAL A 110 13.478 4.747 3.902 1.00 0.00 N ATOM 1736 CA VAL A 110 14.179 4.513 2.657 1.00 0.00 C ATOM 1737 C VAL A 110 14.839 5.806 2.173 1.00 0.00 C ATOM 1738 O VAL A 110 16.013 5.816 1.799 1.00 0.00 O ATOM 1739 CB VAL A 110 13.201 3.964 1.589 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.617 4.360 0.185 1.00 0.00 C ATOM 1741 CG2 VAL A 110 13.076 2.453 1.698 1.00 0.00 C ATOM 0 H VAL A 110 12.462 4.752 3.816 1.00 0.00 H new ATOM 0 HA VAL A 110 14.959 3.770 2.823 1.00 0.00 H new ATOM 0 HB VAL A 110 12.226 4.412 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.904 3.955 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.636 5.447 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.610 3.963 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.384 2.089 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 110 14.054 1.995 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.700 2.189 2.687 1.00 0.00 H new ATOM 1751 N GLN A 111 14.080 6.897 2.234 1.00 0.00 N ATOM 1752 CA GLN A 111 14.529 8.205 1.749 1.00 0.00 C ATOM 1753 C GLN A 111 15.740 8.714 2.513 1.00 0.00 C ATOM 1754 O GLN A 111 16.687 9.219 1.922 1.00 0.00 O ATOM 1755 CB GLN A 111 13.396 9.223 1.874 1.00 0.00 C ATOM 1756 CG GLN A 111 12.246 8.956 0.933 1.00 0.00 C ATOM 1757 CD GLN A 111 12.404 9.684 -0.387 1.00 0.00 C ATOM 1758 OE1 GLN A 111 13.204 10.610 -0.509 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.646 9.271 -1.386 1.00 0.00 N ATOM 0 H GLN A 111 13.136 6.902 2.620 1.00 0.00 H new ATOM 0 HA GLN A 111 14.815 8.081 0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 111 13.026 9.220 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.790 10.221 1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 111 12.172 7.884 0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.313 9.263 1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 111 10.994 8.499 -1.246 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.713 9.724 -2.298 1.00 0.00 H new ATOM 1768 N GLN A 112 15.705 8.570 3.829 1.00 0.00 N ATOM 1769 CA GLN A 112 16.775 9.091 4.683 1.00 0.00 C ATOM 1770 C GLN A 112 18.110 8.404 4.394 1.00 0.00 C ATOM 1771 O GLN A 112 19.173 8.956 4.669 1.00 0.00 O ATOM 1772 CB GLN A 112 16.419 8.938 6.165 1.00 0.00 C ATOM 1773 CG GLN A 112 15.913 7.556 6.539 1.00 0.00 C ATOM 1774 CD GLN A 112 16.749 6.883 7.611 1.00 0.00 C ATOM 1775 OE1 GLN A 112 17.342 7.541 8.466 1.00 0.00 O ATOM 1776 NE2 GLN A 112 16.803 5.560 7.572 1.00 0.00 N ATOM 0 H GLN A 112 14.953 8.100 4.332 1.00 0.00 H new ATOM 0 HA GLN A 112 16.880 10.151 4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 112 17.300 9.166 6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.658 9.675 6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.883 7.635 6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.901 6.927 5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 112 16.298 5.050 6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 112 17.350 5.051 8.266 1.00 0.00 H new ATOM 1785 N LEU A 113 18.056 7.208 3.828 1.00 0.00 N ATOM 1786 CA LEU A 113 19.266 6.458 3.528 1.00 0.00 C ATOM 1787 C LEU A 113 19.785 6.790 2.137 1.00 0.00 C ATOM 1788 O LEU A 113 20.916 6.453 1.788 1.00 0.00 O ATOM 1789 CB LEU A 113 19.008 4.958 3.629 1.00 0.00 C ATOM 1790 CG LEU A 113 18.893 4.415 5.049 1.00 0.00 C ATOM 1791 CD1 LEU A 113 17.926 3.246 5.079 1.00 0.00 C ATOM 1792 CD2 LEU A 113 20.259 3.996 5.573 1.00 0.00 C ATOM 0 H LEU A 113 17.190 6.737 3.568 1.00 0.00 H new ATOM 0 HA LEU A 113 20.020 6.743 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 113 18.088 4.727 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.815 4.431 3.120 1.00 0.00 H new ATOM 0 HG LEU A 113 18.509 5.203 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 113 17.849 2.863 6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 113 16.944 3.577 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 113 18.289 2.456 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 113 20.157 3.611 6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.673 3.219 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 113 20.927 4.857 5.577 1.00 0.00 H new ATOM 1804 N VAL A 114 18.962 7.458 1.346 1.00 0.00 N ATOM 1805 CA VAL A 114 19.294 7.744 -0.035 1.00 0.00 C ATOM 1806 C VAL A 114 20.489 8.698 -0.158 1.00 0.00 C ATOM 1807 O VAL A 114 21.480 8.338 -0.801 1.00 0.00 O ATOM 1808 CB VAL A 114 18.066 8.286 -0.784 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.410 8.670 -2.199 1.00 0.00 C ATOM 1810 CG2 VAL A 114 16.978 7.239 -0.794 1.00 0.00 C ATOM 0 H VAL A 114 18.053 7.814 1.642 1.00 0.00 H new ATOM 0 HA VAL A 114 19.595 6.806 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 114 17.719 9.180 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.519 9.049 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.178 9.443 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 114 18.782 7.796 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.108 7.624 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.341 6.342 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.699 6.995 0.231 1.00 0.00 H new ATOM 1820 N PRO A 115 20.438 9.906 0.449 1.00 0.00 N ATOM 1821 CA PRO A 115 21.564 10.845 0.408 1.00 0.00 C ATOM 1822 C PRO A 115 22.793 10.306 1.135 1.00 0.00 C ATOM 1823 O PRO A 115 23.927 10.582 0.744 1.00 0.00 O ATOM 1824 CB PRO A 115 21.026 12.096 1.115 1.00 0.00 C ATOM 1825 CG PRO A 115 19.899 11.608 1.952 1.00 0.00 C ATOM 1826 CD PRO A 115 19.294 10.464 1.192 1.00 0.00 C ATOM 0 HA PRO A 115 21.895 11.033 -0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 115 21.797 12.567 1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 115 20.689 12.842 0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 115 20.250 11.285 2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.166 12.397 2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 115 18.851 9.726 1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.504 10.800 0.521 1.00 0.00 H new ATOM 1834 N LYS A 116 22.561 9.523 2.186 1.00 0.00 N ATOM 1835 CA LYS A 116 23.650 8.924 2.947 1.00 0.00 C ATOM 1836 C LYS A 116 24.398 7.914 2.083 1.00 0.00 C ATOM 1837 O LYS A 116 25.625 7.919 2.016 1.00 0.00 O ATOM 1838 CB LYS A 116 23.107 8.243 4.206 1.00 0.00 C ATOM 1839 CG LYS A 116 23.022 9.172 5.409 1.00 0.00 C ATOM 1840 CD LYS A 116 21.983 8.699 6.414 1.00 0.00 C ATOM 1841 CE LYS A 116 22.633 8.003 7.598 1.00 0.00 C ATOM 1842 NZ LYS A 116 22.486 8.791 8.851 1.00 0.00 N ATOM 0 H LYS A 116 21.629 9.290 2.528 1.00 0.00 H new ATOM 0 HA LYS A 116 24.341 9.711 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 116 22.115 7.843 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 116 23.746 7.396 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 116 23.997 9.230 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.772 10.179 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.401 9.551 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.287 8.017 5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.184 7.019 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.691 7.845 7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 22.942 8.283 9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.937 9.721 8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 21.476 8.921 9.063 1.00 0.00 H new ATOM 1856 N ARG A 117 23.638 7.064 1.401 1.00 0.00 N ATOM 1857 CA ARG A 117 24.209 6.071 0.502 1.00 0.00 C ATOM 1858 C ARG A 117 24.887 6.751 -0.678 1.00 0.00 C ATOM 1859 O ARG A 117 25.933 6.304 -1.140 1.00 0.00 O ATOM 1860 CB ARG A 117 23.121 5.099 0.025 1.00 0.00 C ATOM 1861 CG ARG A 117 23.509 4.268 -1.190 1.00 0.00 C ATOM 1862 CD ARG A 117 24.565 3.226 -0.843 1.00 0.00 C ATOM 1863 NE ARG A 117 24.586 2.128 -1.809 1.00 0.00 N ATOM 1864 CZ ARG A 117 24.405 0.845 -1.483 1.00 0.00 C ATOM 1865 NH1 ARG A 117 24.225 0.499 -0.215 1.00 0.00 N ATOM 1866 NH2 ARG A 117 24.415 -0.089 -2.427 1.00 0.00 N ATOM 0 H ARG A 117 22.620 7.044 1.455 1.00 0.00 H new ATOM 0 HA ARG A 117 24.964 5.500 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 117 22.867 4.426 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.221 5.667 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 117 22.625 3.772 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 117 23.888 4.924 -1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.546 3.700 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 117 24.370 2.829 0.153 1.00 0.00 H new ATOM 0 HE ARG A 117 24.749 2.355 -2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 117 24.225 1.213 0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 117 24.087 -0.481 0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 117 24.561 0.173 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 117 24.277 -1.068 -2.177 1.00 0.00 H new ATOM 1880 N ASP A 118 24.283 7.832 -1.153 1.00 0.00 N ATOM 1881 CA ASP A 118 24.874 8.641 -2.216 1.00 0.00 C ATOM 1882 C ASP A 118 26.277 9.092 -1.832 1.00 0.00 C ATOM 1883 O ASP A 118 27.186 9.121 -2.663 1.00 0.00 O ATOM 1884 CB ASP A 118 24.003 9.866 -2.496 1.00 0.00 C ATOM 1885 CG ASP A 118 23.640 9.999 -3.958 1.00 0.00 C ATOM 1886 OD1 ASP A 118 22.934 9.109 -4.479 1.00 0.00 O ATOM 1887 OD2 ASP A 118 24.032 11.005 -4.583 1.00 0.00 O ATOM 0 H ASP A 118 23.381 8.172 -0.819 1.00 0.00 H new ATOM 0 HA ASP A 118 24.934 8.028 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 118 23.091 9.802 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 118 24.530 10.764 -2.173 1.00 0.00 H new ATOM 1892 N HIS A 119 26.458 9.399 -0.552 1.00 0.00 N ATOM 1893 CA HIS A 119 27.743 9.882 -0.063 1.00 0.00 C ATOM 1894 C HIS A 119 28.700 8.713 0.118 1.00 0.00 C ATOM 1895 O HIS A 119 29.885 8.819 -0.195 1.00 0.00 O ATOM 1896 CB HIS A 119 27.581 10.662 1.248 1.00 0.00 C ATOM 1897 CG HIS A 119 28.862 11.268 1.742 1.00 0.00 C ATOM 1898 ND1 HIS A 119 29.213 12.581 1.533 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.884 10.713 2.428 1.00 0.00 C ATOM 1900 CE1 HIS A 119 30.398 12.808 2.070 1.00 0.00 C ATOM 1901 NE2 HIS A 119 30.832 11.687 2.620 1.00 0.00 N ATOM 0 H HIS A 119 25.734 9.322 0.163 1.00 0.00 H new ATOM 0 HA HIS A 119 28.158 10.567 -0.802 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.845 11.453 1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.185 9.994 2.013 1.00 0.00 H new ATOM 0 HD1 HIS A 119 28.647 13.272 1.040 1.00 0.00 H new ATOM 0 HD2 HIS A 119 29.945 9.689 2.765 1.00 0.00 H new ATOM 0 HE1 HIS A 119 30.924 13.751 2.061 1.00 0.00 H new ATOM 1910 N ALA A 120 28.179 7.602 0.620 1.00 0.00 N ATOM 1911 CA ALA A 120 28.971 6.391 0.790 1.00 0.00 C ATOM 1912 C ALA A 120 29.557 5.942 -0.545 1.00 0.00 C ATOM 1913 O ALA A 120 30.728 5.578 -0.634 1.00 0.00 O ATOM 1914 CB ALA A 120 28.120 5.283 1.393 1.00 0.00 C ATOM 0 H ALA A 120 27.207 7.514 0.918 1.00 0.00 H new ATOM 0 HA ALA A 120 29.793 6.610 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 120 28.725 4.385 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 120 27.744 5.601 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.280 5.068 0.732 1.00 0.00 H new ATOM 1920 N LEU A 121 28.731 5.995 -1.584 1.00 0.00 N ATOM 1921 CA LEU A 121 29.154 5.616 -2.924 1.00 0.00 C ATOM 1922 C LEU A 121 30.198 6.590 -3.455 1.00 0.00 C ATOM 1923 O LEU A 121 31.226 6.182 -3.995 1.00 0.00 O ATOM 1924 CB LEU A 121 27.956 5.580 -3.874 1.00 0.00 C ATOM 1925 CG LEU A 121 26.882 4.548 -3.529 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.530 4.999 -4.057 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.251 3.186 -4.093 1.00 0.00 C ATOM 0 H LEU A 121 27.759 6.299 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 121 29.595 4.621 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.496 6.568 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 121 28.318 5.380 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 121 26.818 4.461 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 121 24.774 4.255 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 121 25.264 5.955 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.581 5.111 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 121 26.475 2.464 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.341 3.253 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.202 2.862 -3.669 1.00 0.00 H new ATOM 1939 N LEU A 122 29.928 7.880 -3.294 1.00 0.00 N ATOM 1940 CA LEU A 122 30.837 8.914 -3.775 1.00 0.00 C ATOM 1941 C LEU A 122 32.174 8.862 -3.046 1.00 0.00 C ATOM 1942 O LEU A 122 33.222 9.056 -3.656 1.00 0.00 O ATOM 1943 CB LEU A 122 30.206 10.297 -3.626 1.00 0.00 C ATOM 1944 CG LEU A 122 30.075 11.078 -4.934 1.00 0.00 C ATOM 1945 CD1 LEU A 122 28.665 10.958 -5.485 1.00 0.00 C ATOM 1946 CD2 LEU A 122 30.447 12.537 -4.726 1.00 0.00 C ATOM 0 H LEU A 122 29.089 8.235 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 122 31.023 8.725 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 122 29.216 10.185 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.804 10.882 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 122 30.766 10.651 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 122 28.589 11.520 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 122 28.436 9.909 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 122 27.956 11.359 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 122 30.347 13.076 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 122 29.783 12.979 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 122 31.478 12.604 -4.377 1.00 0.00 H new ATOM 1958 N GLU A 123 32.132 8.585 -1.747 1.00 0.00 N ATOM 1959 CA GLU A 123 33.349 8.474 -0.946 1.00 0.00 C ATOM 1960 C GLU A 123 34.270 7.401 -1.513 1.00 0.00 C ATOM 1961 O GLU A 123 35.483 7.593 -1.613 1.00 0.00 O ATOM 1962 CB GLU A 123 33.002 8.142 0.507 1.00 0.00 C ATOM 1963 CG GLU A 123 33.981 8.720 1.513 1.00 0.00 C ATOM 1964 CD GLU A 123 33.404 9.896 2.267 1.00 0.00 C ATOM 1965 OE1 GLU A 123 33.506 11.035 1.775 1.00 0.00 O ATOM 1966 OE2 GLU A 123 32.830 9.686 3.354 1.00 0.00 O ATOM 0 H GLU A 123 31.269 8.433 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 123 33.866 9.433 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 123 32.003 8.517 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 123 32.969 7.059 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 123 34.270 7.944 2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 123 34.888 9.033 0.995 1.00 0.00 H new ATOM 1973 N GLU A 124 33.679 6.276 -1.895 1.00 0.00 N ATOM 1974 CA GLU A 124 34.431 5.166 -2.452 1.00 0.00 C ATOM 1975 C GLU A 124 34.935 5.508 -3.855 1.00 0.00 C ATOM 1976 O GLU A 124 36.111 5.328 -4.159 1.00 0.00 O ATOM 1977 CB GLU A 124 33.556 3.905 -2.466 1.00 0.00 C ATOM 1978 CG GLU A 124 33.999 2.840 -3.455 1.00 0.00 C ATOM 1979 CD GLU A 124 35.307 2.179 -3.070 1.00 0.00 C ATOM 1980 OE1 GLU A 124 35.408 1.651 -1.943 1.00 0.00 O ATOM 1981 OE2 GLU A 124 36.245 2.177 -3.898 1.00 0.00 O ATOM 0 H GLU A 124 32.675 6.111 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 124 35.304 4.974 -1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 124 33.548 3.473 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 124 32.530 4.193 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 124 33.223 2.079 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 124 34.103 3.290 -4.442 1.00 0.00 H new ATOM 1988 N GLN A 125 34.054 6.047 -4.690 1.00 0.00 N ATOM 1989 CA GLN A 125 34.410 6.349 -6.073 1.00 0.00 C ATOM 1990 C GLN A 125 35.449 7.468 -6.152 1.00 0.00 C ATOM 1991 O GLN A 125 36.154 7.593 -7.151 1.00 0.00 O ATOM 1992 CB GLN A 125 33.165 6.704 -6.895 1.00 0.00 C ATOM 1993 CG GLN A 125 32.639 8.110 -6.660 1.00 0.00 C ATOM 1994 CD GLN A 125 32.151 8.782 -7.932 1.00 0.00 C ATOM 1995 OE1 GLN A 125 32.257 9.997 -8.080 1.00 0.00 O ATOM 1996 NE2 GLN A 125 31.604 8.000 -8.855 1.00 0.00 N ATOM 0 H GLN A 125 33.094 6.283 -4.437 1.00 0.00 H new ATOM 0 HA GLN A 125 34.857 5.451 -6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 125 33.398 6.588 -7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 125 32.375 5.990 -6.663 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.822 8.070 -5.940 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.427 8.717 -6.214 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.534 6.995 -8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.254 8.404 -9.724 1.00 0.00 H new ATOM 2005 N SER A 126 35.556 8.267 -5.095 1.00 0.00 N ATOM 2006 CA SER A 126 36.545 9.339 -5.055 1.00 0.00 C ATOM 2007 C SER A 126 37.922 8.799 -4.677 1.00 0.00 C ATOM 2008 O SER A 126 38.929 9.493 -4.806 1.00 0.00 O ATOM 2009 CB SER A 126 36.119 10.431 -4.074 1.00 0.00 C ATOM 2010 OG SER A 126 34.851 10.961 -4.425 1.00 0.00 O ATOM 0 H SER A 126 34.975 8.194 -4.260 1.00 0.00 H new ATOM 0 HA SER A 126 36.608 9.772 -6.053 1.00 0.00 H new ATOM 0 HB2 SER A 126 36.080 10.023 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 126 36.862 11.229 -4.067 1.00 0.00 H new ATOM 0 HG SER A 126 34.150 10.321 -4.181 1.00 0.00 H new ATOM 2016 N LYS A 127 37.963 7.557 -4.208 1.00 0.00 N ATOM 2017 CA LYS A 127 39.228 6.913 -3.881 1.00 0.00 C ATOM 2018 C LYS A 127 39.721 6.104 -5.077 1.00 0.00 C ATOM 2019 O LYS A 127 40.855 5.618 -5.099 1.00 0.00 O ATOM 2020 CB LYS A 127 39.076 6.026 -2.631 1.00 0.00 C ATOM 2021 CG LYS A 127 38.961 4.538 -2.923 1.00 0.00 C ATOM 2022 CD LYS A 127 38.477 3.765 -1.709 1.00 0.00 C ATOM 2023 CE LYS A 127 39.069 2.365 -1.673 1.00 0.00 C ATOM 2024 NZ LYS A 127 38.514 1.498 -2.745 1.00 0.00 N ATOM 0 H LYS A 127 37.138 6.979 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 127 39.970 7.678 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 127 39.934 6.190 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 127 38.191 6.345 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 127 38.272 4.382 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 127 39.931 4.152 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 127 38.751 4.301 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 127 37.389 3.702 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 127 40.152 2.426 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 127 38.871 1.912 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 38.088 0.650 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 37.788 2.022 -3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 39.277 1.215 -3.392 1.00 0.00 H new ATOM 2038 N GLN A 128 38.856 5.983 -6.077 1.00 0.00 N ATOM 2039 CA GLN A 128 39.157 5.240 -7.282 1.00 0.00 C ATOM 2040 C GLN A 128 39.909 6.120 -8.278 1.00 0.00 C ATOM 2041 O GLN A 128 40.875 6.794 -7.916 1.00 0.00 O ATOM 2042 CB GLN A 128 37.852 4.727 -7.890 1.00 0.00 C ATOM 2043 CG GLN A 128 37.101 3.753 -6.995 1.00 0.00 C ATOM 2044 CD GLN A 128 37.459 2.308 -7.277 1.00 0.00 C ATOM 2045 OE1 GLN A 128 37.996 1.982 -8.335 1.00 0.00 O ATOM 2046 NE2 GLN A 128 37.162 1.429 -6.335 1.00 0.00 N ATOM 0 H GLN A 128 37.925 6.401 -6.069 1.00 0.00 H new ATOM 0 HA GLN A 128 39.797 4.392 -7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 128 37.206 5.577 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 128 38.071 4.239 -8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 128 37.320 3.981 -5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 128 36.029 3.891 -7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 128 36.717 1.738 -5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 128 37.378 0.442 -6.472 1.00 0.00 H new ATOM 2055 N GLN A 129 39.464 6.112 -9.524 1.00 0.00 N ATOM 2056 CA GLN A 129 40.083 6.926 -10.558 1.00 0.00 C ATOM 2057 C GLN A 129 39.451 8.314 -10.586 1.00 0.00 C ATOM 2058 O GLN A 129 40.176 9.292 -10.851 1.00 0.00 O ATOM 2059 CB GLN A 129 39.965 6.242 -11.930 1.00 0.00 C ATOM 2060 CG GLN A 129 38.677 6.559 -12.679 1.00 0.00 C ATOM 2061 CD GLN A 129 38.805 6.367 -14.177 1.00 0.00 C ATOM 2062 OE1 GLN A 129 39.905 6.384 -14.733 1.00 0.00 O ATOM 2063 NE2 GLN A 129 37.675 6.197 -14.846 1.00 0.00 N ATOM 2064 OXT GLN A 129 38.233 8.417 -10.330 1.00 0.00 O ATOM 0 H GLN A 129 38.675 5.550 -9.844 1.00 0.00 H new ATOM 0 HA GLN A 129 41.143 7.035 -10.327 1.00 0.00 H new ATOM 0 HB2 GLN A 129 40.813 6.541 -12.546 1.00 0.00 H new ATOM 0 HB3 GLN A 129 40.036 5.163 -11.792 1.00 0.00 H new ATOM 0 HG2 GLN A 129 37.877 5.921 -12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 129 38.387 7.589 -12.473 1.00 0.00 H new ATOM 0 HE21 GLN A 129 36.784 6.189 -14.349 1.00 0.00 H new ATOM 0 HE22 GLN A 129 37.695 6.074 -15.858 1.00 0.00 H new