USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1013 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 100 SER OG : rot -37:sc= 0.713 USER MOD Set 1.2: A 101 THR OG1 : rot 81:sc= 0.0846 USER MOD Set 2.1: A 67 ASN : amide:sc= 0.642 K(o=1.8,f=-2.8) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 160:sc= 1.14 (180deg=0) USER MOD Set 3.1: A 23 MET CE :methyl -137:sc= -0.354 (180deg=-0.962) USER MOD Set 3.2: A 53 MET CE :methyl -154:sc= -0.488 (180deg=-2.13) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.334 K(o=0.33,f=-4.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= -0.0332 (180deg=-0.426) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0534) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.474 K(o=-0.47,f=-4.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.16) USER MOD Single : A 45 ASN : amide:sc= -2.29! C(o=-2.3!,f=-3.6!) USER MOD Single : A 48 THR OG1 : rot -72:sc= 0.211 USER MOD Single : A 56 SER OG : rot -58:sc= 0.206 USER MOD Single : A 57 THR OG1 : rot -43:sc= 0.0773 USER MOD Single : A 58 LYS NZ :NH3+ -126:sc=-0.000443 (180deg=-0.131) USER MOD Single : A 60 ASN :FLIP amide:sc= 0.011 F(o=-0.89,f=0.011) USER MOD Single : A 61 MET CE :methyl -157:sc= -0.35 (180deg=-1.09) USER MOD Single : A 69 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.0038) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.172 F(o=-1,f=-0.17) USER MOD Single : A 72 ASN : amide:sc= -0.255 K(o=-0.25,f=-0.93) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -113:sc= 0.00125 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-3) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -130:sc= 0 (180deg=-0.328) USER MOD Single : A 88 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.13) USER MOD Single : A 89 GLN : amide:sc= -0.158 K(o=-0.16,f=-3!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0458 X(o=-0.046,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.592 K(o=0.59,f=-5.6!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 116 THR OG1 : rot 74:sc= 1.11 USER MOD Single : A 119 LYS NZ :NH3+ -160:sc= -0.0128 (180deg=-0.153) USER MOD Single : A 123 HIS : no HE2:sc= 0.0292 X(o=0.029,f=-0.32) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.22) USER MOD Single : A 130 SER OG : rot -150:sc= 0.0135 USER MOD Single : A 131 MET CE :methyl 155:sc= -0.191 (180deg=-0.798) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 1.743 5.041 10.708 1.00 0.00 N ATOM 114 CA LEU A 8 1.430 5.417 9.344 1.00 0.00 C ATOM 115 C LEU A 8 1.418 6.943 9.243 1.00 0.00 C ATOM 116 O LEU A 8 0.804 7.589 10.098 1.00 0.00 O ATOM 117 CB LEU A 8 0.077 4.772 9.014 1.00 0.00 C ATOM 118 CG LEU A 8 -0.615 5.265 7.744 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.266 6.647 7.869 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.256 5.108 6.497 1.00 0.00 C ATOM 0 HA LEU A 8 2.168 5.069 8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.223 3.695 8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.595 4.937 9.856 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.461 4.591 7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.733 6.916 6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.023 6.623 8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.506 7.386 8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.287 5.474 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.174 5.682 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.502 4.056 6.355 1.00 0.00 H new ATOM 132 N SER A 9 2.040 7.505 8.205 1.00 0.00 N ATOM 133 CA SER A 9 2.086 8.929 7.904 1.00 0.00 C ATOM 134 C SER A 9 1.458 9.249 6.534 1.00 0.00 C ATOM 135 O SER A 9 0.935 10.359 6.379 1.00 0.00 O ATOM 136 CB SER A 9 3.542 9.412 8.007 1.00 0.00 C ATOM 137 OG SER A 9 3.626 10.829 8.074 1.00 0.00 O ATOM 0 H SER A 9 2.550 6.947 7.520 1.00 0.00 H new ATOM 0 HA SER A 9 1.484 9.470 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.007 8.978 8.893 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.105 9.055 7.144 1.00 0.00 H new ATOM 0 HG SER A 9 4.566 11.098 8.140 1.00 0.00 H new ATOM 143 N LEU A 10 1.436 8.332 5.552 1.00 0.00 N ATOM 144 CA LEU A 10 0.763 8.592 4.265 1.00 0.00 C ATOM 145 C LEU A 10 -0.731 8.889 4.458 1.00 0.00 C ATOM 146 O LEU A 10 -1.360 8.347 5.367 1.00 0.00 O ATOM 147 CB LEU A 10 0.912 7.425 3.268 1.00 0.00 C ATOM 148 CG LEU A 10 2.307 7.102 2.696 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.199 6.033 1.602 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.960 8.357 2.110 1.00 0.00 C ATOM 0 H LEU A 10 1.872 7.412 5.622 1.00 0.00 H new ATOM 0 HA LEU A 10 1.261 9.468 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.541 6.525 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.250 7.626 2.426 1.00 0.00 H new ATOM 0 HG LEU A 10 2.925 6.728 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.191 5.815 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.768 5.124 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.561 6.399 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.943 8.104 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.335 8.752 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.067 9.110 2.891 1.00 0.00 H new ATOM 162 N ASN A 11 -1.342 9.718 3.601 1.00 0.00 N ATOM 163 CA ASN A 11 -2.749 10.115 3.766 1.00 0.00 C ATOM 164 C ASN A 11 -3.700 9.070 3.178 1.00 0.00 C ATOM 165 O ASN A 11 -4.448 9.326 2.227 1.00 0.00 O ATOM 166 CB ASN A 11 -3.035 11.504 3.190 1.00 0.00 C ATOM 167 CG ASN A 11 -4.364 12.063 3.719 1.00 0.00 C ATOM 168 OD1 ASN A 11 -5.244 11.350 4.207 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.541 13.367 3.634 1.00 0.00 N ATOM 0 H ASN A 11 -0.885 10.127 2.786 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.931 10.171 4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.223 12.183 3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.068 11.449 2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.407 13.787 3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.812 13.955 3.230 1.00 0.00 H new ATOM 176 N PHE A 12 -3.668 7.862 3.738 1.00 0.00 N ATOM 177 CA PHE A 12 -4.598 6.809 3.382 1.00 0.00 C ATOM 178 C PHE A 12 -6.033 7.249 3.646 1.00 0.00 C ATOM 179 O PHE A 12 -6.899 6.924 2.845 1.00 0.00 O ATOM 180 CB PHE A 12 -4.248 5.529 4.140 1.00 0.00 C ATOM 181 CG PHE A 12 -3.128 4.755 3.484 1.00 0.00 C ATOM 182 CD1 PHE A 12 -3.403 3.852 2.443 1.00 0.00 C ATOM 183 CD2 PHE A 12 -1.802 4.973 3.888 1.00 0.00 C ATOM 184 CE1 PHE A 12 -2.346 3.176 1.810 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.745 4.303 3.246 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.017 3.423 2.191 1.00 0.00 C ATOM 0 H PHE A 12 -2.992 7.592 4.453 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.515 6.602 2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.961 5.782 5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.133 4.896 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.422 3.678 2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.592 5.658 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.557 2.463 1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.274 4.467 3.566 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.206 2.935 1.671 1.00 0.00 H new ATOM 196 N GLY A 13 -6.299 8.019 4.705 1.00 0.00 N ATOM 197 CA GLY A 13 -7.636 8.480 5.062 1.00 0.00 C ATOM 198 C GLY A 13 -8.378 9.101 3.886 1.00 0.00 C ATOM 199 O GLY A 13 -9.426 8.592 3.481 1.00 0.00 O ATOM 0 H GLY A 13 -5.576 8.343 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.214 7.641 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.561 9.212 5.866 1.00 0.00 H new ATOM 203 N LYS A 14 -7.834 10.179 3.313 1.00 0.00 N ATOM 204 CA LYS A 14 -8.457 10.891 2.197 1.00 0.00 C ATOM 205 C LYS A 14 -8.586 10.008 0.965 1.00 0.00 C ATOM 206 O LYS A 14 -9.649 9.956 0.353 1.00 0.00 O ATOM 207 CB LYS A 14 -7.643 12.148 1.873 1.00 0.00 C ATOM 208 CG LYS A 14 -8.069 13.339 2.745 1.00 0.00 C ATOM 209 CD LYS A 14 -9.306 14.057 2.179 1.00 0.00 C ATOM 210 CE LYS A 14 -8.866 15.170 1.219 1.00 0.00 C ATOM 211 NZ LYS A 14 -9.991 16.011 0.759 1.00 0.00 N ATOM 0 H LYS A 14 -6.946 10.582 3.612 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.466 11.176 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.583 11.945 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.770 12.403 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.284 12.990 3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.243 14.046 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.944 13.344 1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.897 14.478 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.127 15.800 1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.375 14.724 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.635 16.745 0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.686 15.419 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.445 16.462 1.579 1.00 0.00 H new ATOM 225 N ALA A 15 -7.501 9.342 0.580 1.00 0.00 N ATOM 226 CA ALA A 15 -7.467 8.478 -0.594 1.00 0.00 C ATOM 227 C ALA A 15 -8.490 7.329 -0.476 1.00 0.00 C ATOM 228 O ALA A 15 -9.210 7.048 -1.431 1.00 0.00 O ATOM 229 CB ALA A 15 -6.040 7.946 -0.737 1.00 0.00 C ATOM 0 H ALA A 15 -6.613 9.388 1.079 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.745 9.042 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.980 7.294 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.351 8.781 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.770 7.383 0.156 1.00 0.00 H new ATOM 235 N LEU A 16 -8.597 6.671 0.686 1.00 0.00 N ATOM 236 CA LEU A 16 -9.598 5.635 0.977 1.00 0.00 C ATOM 237 C LEU A 16 -11.000 6.211 0.866 1.00 0.00 C ATOM 238 O LEU A 16 -11.890 5.559 0.318 1.00 0.00 O ATOM 239 CB LEU A 16 -9.442 5.065 2.396 1.00 0.00 C ATOM 240 CG LEU A 16 -8.304 4.048 2.580 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.163 3.722 4.066 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.551 2.727 1.851 1.00 0.00 C ATOM 0 H LEU A 16 -7.972 6.850 1.472 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.442 4.839 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.280 5.893 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.380 4.590 2.683 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.408 4.508 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.358 3.001 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.934 4.633 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.097 3.299 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.710 2.054 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.465 2.269 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.654 2.915 0.782 1.00 0.00 H new ATOM 254 N ASP A 17 -11.188 7.435 1.358 1.00 0.00 N ATOM 255 CA ASP A 17 -12.474 8.120 1.327 1.00 0.00 C ATOM 256 C ASP A 17 -12.939 8.365 -0.100 1.00 0.00 C ATOM 257 O ASP A 17 -14.118 8.588 -0.336 1.00 0.00 O ATOM 258 CB ASP A 17 -12.372 9.480 2.020 1.00 0.00 C ATOM 259 CG ASP A 17 -13.642 9.866 2.762 1.00 0.00 C ATOM 260 OD1 ASP A 17 -14.685 10.124 2.119 1.00 0.00 O ATOM 261 OD2 ASP A 17 -13.514 9.989 4.003 1.00 0.00 O ATOM 0 H ASP A 17 -10.444 7.981 1.792 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.188 7.477 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.539 9.462 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.146 10.244 1.277 1.00 0.00 H new ATOM 266 N GLU A 18 -12.036 8.324 -1.075 1.00 0.00 N ATOM 267 CA GLU A 18 -12.388 8.406 -2.476 1.00 0.00 C ATOM 268 C GLU A 18 -12.471 7.012 -3.087 1.00 0.00 C ATOM 269 O GLU A 18 -13.327 6.765 -3.938 1.00 0.00 O ATOM 270 CB GLU A 18 -11.394 9.328 -3.178 1.00 0.00 C ATOM 271 CG GLU A 18 -11.538 10.748 -2.615 1.00 0.00 C ATOM 272 CD GLU A 18 -11.285 11.831 -3.656 1.00 0.00 C ATOM 273 OE1 GLU A 18 -12.169 12.037 -4.517 1.00 0.00 O ATOM 274 OE2 GLU A 18 -10.230 12.499 -3.551 1.00 0.00 O ATOM 0 H GLU A 18 -11.034 8.232 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.380 8.840 -2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.377 8.966 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.578 9.330 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.541 10.871 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.840 10.877 -1.788 1.00 0.00 H new ATOM 281 N CYS A 19 -11.652 6.068 -2.621 1.00 0.00 N ATOM 282 CA CYS A 19 -11.626 4.711 -3.115 1.00 0.00 C ATOM 283 C CYS A 19 -12.851 3.884 -2.811 1.00 0.00 C ATOM 284 O CYS A 19 -13.251 3.058 -3.634 1.00 0.00 O ATOM 285 CB CYS A 19 -10.376 3.988 -2.621 1.00 0.00 C ATOM 286 SG CYS A 19 -8.939 4.270 -3.666 1.00 0.00 S ATOM 0 H CYS A 19 -10.979 6.240 -1.874 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.613 4.814 -4.200 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.150 4.317 -1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.578 2.918 -2.572 1.00 0.00 H new ATOM 291 N LYS A 20 -13.515 4.124 -1.692 1.00 0.00 N ATOM 292 CA LYS A 20 -14.697 3.424 -1.375 1.00 0.00 C ATOM 293 C LYS A 20 -15.824 4.059 -2.205 1.00 0.00 C ATOM 294 O LYS A 20 -16.873 3.449 -2.361 1.00 0.00 O ATOM 295 CB LYS A 20 -14.765 3.484 0.165 1.00 0.00 C ATOM 296 CG LYS A 20 -15.780 4.459 0.688 1.00 0.00 C ATOM 297 CD LYS A 20 -15.562 5.959 0.530 1.00 0.00 C ATOM 298 CE LYS A 20 -15.722 6.658 1.887 1.00 0.00 C ATOM 299 NZ LYS A 20 -17.033 6.404 2.526 1.00 0.00 N ATOM 0 H LYS A 20 -13.231 4.813 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.765 2.368 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.998 2.491 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.783 3.753 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.731 4.220 0.212 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.898 4.261 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.567 6.150 0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.278 6.366 -0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.929 6.324 2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.593 7.732 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.291 7.215 3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.757 6.271 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.973 5.547 3.112 1.00 0.00 H new ATOM 313 N LYS A 21 -15.650 5.276 -2.753 1.00 0.00 N ATOM 314 CA LYS A 21 -16.681 5.887 -3.583 1.00 0.00 C ATOM 315 C LYS A 21 -16.698 5.223 -4.958 1.00 0.00 C ATOM 316 O LYS A 21 -17.754 5.119 -5.574 1.00 0.00 O ATOM 317 CB LYS A 21 -16.539 7.413 -3.723 1.00 0.00 C ATOM 318 CG LYS A 21 -16.635 8.049 -2.338 1.00 0.00 C ATOM 319 CD LYS A 21 -16.595 9.576 -2.296 1.00 0.00 C ATOM 320 CE LYS A 21 -16.763 10.036 -0.836 1.00 0.00 C ATOM 321 NZ LYS A 21 -18.152 9.905 -0.350 1.00 0.00 N ATOM 0 H LYS A 21 -14.811 5.843 -2.632 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.631 5.721 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.584 7.662 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.321 7.806 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.562 7.717 -1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.817 7.667 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.651 9.940 -2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.389 9.992 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.103 9.450 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.449 11.076 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.240 10.367 0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.800 10.358 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.395 8.898 -0.260 1.00 0.00 H new ATOM 335 N GLU A 22 -15.538 4.767 -5.440 1.00 0.00 N ATOM 336 CA GLU A 22 -15.385 4.092 -6.727 1.00 0.00 C ATOM 337 C GLU A 22 -16.317 2.891 -6.818 1.00 0.00 C ATOM 338 O GLU A 22 -17.170 2.823 -7.702 1.00 0.00 O ATOM 339 CB GLU A 22 -13.944 3.618 -6.919 1.00 0.00 C ATOM 340 CG GLU A 22 -12.962 4.763 -7.169 1.00 0.00 C ATOM 341 CD GLU A 22 -12.351 4.690 -8.568 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.807 3.626 -8.942 1.00 0.00 O ATOM 343 OE2 GLU A 22 -12.319 5.736 -9.257 1.00 0.00 O ATOM 0 H GLU A 22 -14.659 4.861 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.639 4.808 -7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.629 3.065 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.905 2.925 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.476 5.716 -7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.168 4.730 -6.423 1.00 0.00 H new ATOM 350 N MET A 23 -16.147 1.951 -5.887 1.00 0.00 N ATOM 351 CA MET A 23 -16.785 0.640 -5.912 1.00 0.00 C ATOM 352 C MET A 23 -17.925 0.562 -4.894 1.00 0.00 C ATOM 353 O MET A 23 -18.377 -0.529 -4.565 1.00 0.00 O ATOM 354 CB MET A 23 -15.744 -0.487 -5.725 1.00 0.00 C ATOM 355 CG MET A 23 -14.267 -0.110 -5.933 1.00 0.00 C ATOM 356 SD MET A 23 -13.215 -1.478 -6.473 1.00 0.00 S ATOM 357 CE MET A 23 -11.706 -0.539 -6.821 1.00 0.00 C ATOM 0 H MET A 23 -15.545 2.087 -5.075 1.00 0.00 H new ATOM 0 HA MET A 23 -17.233 0.495 -6.895 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.854 -0.887 -4.717 1.00 0.00 H new ATOM 0 HB3 MET A 23 -15.989 -1.294 -6.416 1.00 0.00 H new ATOM 0 HG2 MET A 23 -14.209 0.690 -6.671 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.872 0.289 -4.999 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.268 -0.887 -7.757 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.948 0.520 -6.906 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.992 -0.684 -6.010 1.00 0.00 H new ATOM 367 N THR A 24 -18.334 1.715 -4.355 1.00 0.00 N ATOM 368 CA THR A 24 -19.298 1.921 -3.277 1.00 0.00 C ATOM 369 C THR A 24 -19.006 0.962 -2.089 1.00 0.00 C ATOM 370 O THR A 24 -19.909 0.467 -1.417 1.00 0.00 O ATOM 371 CB THR A 24 -20.715 1.969 -3.902 1.00 0.00 C ATOM 372 OG1 THR A 24 -21.550 2.907 -3.249 1.00 0.00 O ATOM 373 CG2 THR A 24 -21.428 0.619 -3.955 1.00 0.00 C ATOM 0 H THR A 24 -17.965 2.603 -4.694 1.00 0.00 H new ATOM 0 HA THR A 24 -19.209 2.885 -2.777 1.00 0.00 H new ATOM 0 HB THR A 24 -20.539 2.282 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 24 -22.434 2.909 -3.673 1.00 0.00 H new ATOM 0 HG21 THR A 24 -22.412 0.745 -4.407 1.00 0.00 H new ATOM 0 HG22 THR A 24 -20.841 -0.079 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 24 -21.540 0.227 -2.944 1.00 0.00 H new ATOM 381 N LEU A 25 -17.715 0.666 -1.849 1.00 0.00 N ATOM 382 CA LEU A 25 -17.239 -0.227 -0.781 1.00 0.00 C ATOM 383 C LEU A 25 -17.689 0.321 0.587 1.00 0.00 C ATOM 384 O LEU A 25 -18.136 1.466 0.719 1.00 0.00 O ATOM 385 CB LEU A 25 -15.694 -0.416 -0.762 1.00 0.00 C ATOM 386 CG LEU A 25 -14.968 -0.702 -2.101 1.00 0.00 C ATOM 387 CD1 LEU A 25 -13.469 -0.394 -2.037 1.00 0.00 C ATOM 388 CD2 LEU A 25 -15.077 -2.178 -2.497 1.00 0.00 C ATOM 0 H LEU A 25 -16.955 1.053 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.677 -1.204 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.255 0.485 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.469 -1.237 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.460 -0.054 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -13.011 -0.613 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.324 0.659 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.004 -1.009 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.556 -2.341 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.625 -2.797 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -16.127 -2.448 -2.611 1.00 0.00 H new ATOM 400 N THR A 26 -17.456 -0.456 1.638 1.00 0.00 N ATOM 401 CA THR A 26 -18.080 -0.243 2.939 1.00 0.00 C ATOM 402 C THR A 26 -17.348 0.836 3.748 1.00 0.00 C ATOM 403 O THR A 26 -16.223 1.188 3.424 1.00 0.00 O ATOM 404 CB THR A 26 -18.150 -1.599 3.666 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.961 -2.351 3.513 1.00 0.00 O ATOM 406 CG2 THR A 26 -19.271 -2.463 3.079 1.00 0.00 C ATOM 0 H THR A 26 -16.825 -1.257 1.612 1.00 0.00 H new ATOM 0 HA THR A 26 -19.093 0.138 2.813 1.00 0.00 H new ATOM 0 HB THR A 26 -18.318 -1.365 4.717 1.00 0.00 H new ATOM 0 HG1 THR A 26 -17.048 -3.202 3.991 1.00 0.00 H new ATOM 0 HG21 THR A 26 -19.307 -3.418 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 26 -20.225 -1.949 3.195 1.00 0.00 H new ATOM 0 HG23 THR A 26 -19.079 -2.638 2.020 1.00 0.00 H new ATOM 414 N ASP A 27 -17.962 1.354 4.816 1.00 0.00 N ATOM 415 CA ASP A 27 -17.364 2.378 5.683 1.00 0.00 C ATOM 416 C ASP A 27 -16.309 1.778 6.616 1.00 0.00 C ATOM 417 O ASP A 27 -15.346 2.445 6.997 1.00 0.00 O ATOM 418 CB ASP A 27 -18.465 3.039 6.521 1.00 0.00 C ATOM 419 CG ASP A 27 -17.979 4.316 7.205 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.987 5.374 6.532 1.00 0.00 O ATOM 421 OD2 ASP A 27 -17.611 4.299 8.398 1.00 0.00 O ATOM 0 H ASP A 27 -18.898 1.072 5.107 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.875 3.117 5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.316 3.272 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.817 2.336 7.276 1.00 0.00 H new ATOM 426 N ALA A 28 -16.473 0.492 6.944 1.00 0.00 N ATOM 427 CA ALA A 28 -15.640 -0.341 7.809 1.00 0.00 C ATOM 428 C ALA A 28 -14.287 -0.721 7.178 1.00 0.00 C ATOM 429 O ALA A 28 -13.765 -1.805 7.450 1.00 0.00 O ATOM 430 CB ALA A 28 -16.450 -1.591 8.159 1.00 0.00 C ATOM 0 H ALA A 28 -17.264 -0.037 6.576 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.385 0.229 8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.858 -2.239 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.364 -1.299 8.676 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.705 -2.127 7.245 1.00 0.00 H new ATOM 436 N ILE A 29 -13.750 0.121 6.297 1.00 0.00 N ATOM 437 CA ILE A 29 -12.534 -0.115 5.522 1.00 0.00 C ATOM 438 C ILE A 29 -11.384 0.769 5.960 1.00 0.00 C ATOM 439 O ILE A 29 -10.270 0.527 5.519 1.00 0.00 O ATOM 440 CB ILE A 29 -12.838 -0.050 4.014 1.00 0.00 C ATOM 441 CG1 ILE A 29 -13.236 1.345 3.495 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.905 -1.083 3.628 1.00 0.00 C ATOM 443 CD1 ILE A 29 -12.039 2.283 3.452 1.00 0.00 C ATOM 0 H ILE A 29 -14.170 1.028 6.095 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.186 -1.127 5.728 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.893 -0.287 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.666 1.255 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.008 1.767 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.104 -1.019 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.548 -2.084 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.823 -0.882 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.354 3.258 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.626 2.392 4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.278 1.872 2.789 1.00 0.00 H new ATOM 455 N ASN A 30 -11.609 1.765 6.814 1.00 0.00 N ATOM 456 CA ASN A 30 -10.502 2.505 7.385 1.00 0.00 C ATOM 457 C ASN A 30 -9.829 1.607 8.412 1.00 0.00 C ATOM 458 O ASN A 30 -8.679 1.221 8.241 1.00 0.00 O ATOM 459 CB ASN A 30 -10.973 3.820 8.008 1.00 0.00 C ATOM 460 CG ASN A 30 -9.792 4.569 8.590 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.612 4.613 9.805 1.00 0.00 O ATOM 462 ND2 ASN A 30 -9.001 5.191 7.740 1.00 0.00 N ATOM 0 H ASN A 30 -12.534 2.070 7.118 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.790 2.778 6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.467 4.433 7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.708 3.620 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.208 5.732 8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.182 5.132 6.738 1.00 0.00 H new ATOM 469 N GLU A 31 -10.564 1.232 9.458 1.00 0.00 N ATOM 470 CA GLU A 31 -9.969 0.553 10.599 1.00 0.00 C ATOM 471 C GLU A 31 -9.428 -0.808 10.171 1.00 0.00 C ATOM 472 O GLU A 31 -8.298 -1.132 10.522 1.00 0.00 O ATOM 473 CB GLU A 31 -11.014 0.371 11.713 1.00 0.00 C ATOM 474 CG GLU A 31 -11.398 1.646 12.475 1.00 0.00 C ATOM 475 CD GLU A 31 -10.459 1.927 13.649 1.00 0.00 C ATOM 476 OE1 GLU A 31 -10.528 1.197 14.673 1.00 0.00 O ATOM 477 OE2 GLU A 31 -9.694 2.913 13.570 1.00 0.00 O ATOM 0 H GLU A 31 -11.569 1.388 9.535 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.148 1.161 10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.916 -0.054 11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.633 -0.358 12.428 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.383 2.494 11.790 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.419 1.552 12.844 1.00 0.00 H new ATOM 484 N ASP A 32 -10.209 -1.578 9.408 1.00 0.00 N ATOM 485 CA ASP A 32 -9.879 -2.918 8.904 1.00 0.00 C ATOM 486 C ASP A 32 -8.606 -2.905 8.065 1.00 0.00 C ATOM 487 O ASP A 32 -7.709 -3.723 8.270 1.00 0.00 O ATOM 488 CB ASP A 32 -11.059 -3.415 8.067 1.00 0.00 C ATOM 489 CG ASP A 32 -10.728 -4.526 7.077 1.00 0.00 C ATOM 490 OD1 ASP A 32 -10.470 -4.178 5.902 1.00 0.00 O ATOM 491 OD2 ASP A 32 -10.956 -5.713 7.402 1.00 0.00 O ATOM 0 H ASP A 32 -11.134 -1.270 9.109 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.699 -3.584 9.748 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.838 -3.771 8.741 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.475 -2.571 7.516 1.00 0.00 H new ATOM 496 N PHE A 33 -8.497 -1.937 7.155 1.00 0.00 N ATOM 497 CA PHE A 33 -7.324 -1.798 6.318 1.00 0.00 C ATOM 498 C PHE A 33 -6.118 -1.509 7.204 1.00 0.00 C ATOM 499 O PHE A 33 -5.095 -2.179 7.079 1.00 0.00 O ATOM 500 CB PHE A 33 -7.584 -0.702 5.279 1.00 0.00 C ATOM 501 CG PHE A 33 -6.517 -0.507 4.221 1.00 0.00 C ATOM 502 CD1 PHE A 33 -5.201 -0.162 4.582 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.852 -0.607 2.858 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.225 0.025 3.594 1.00 0.00 C ATOM 505 CE2 PHE A 33 -5.886 -0.333 1.872 1.00 0.00 C ATOM 506 CZ PHE A 33 -4.573 -0.007 2.252 1.00 0.00 C ATOM 0 H PHE A 33 -9.218 -1.236 6.984 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.110 -2.716 5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.526 -0.924 4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.719 0.243 5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.943 -0.041 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.852 -0.894 2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.197 0.195 3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.153 -0.373 0.826 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.834 0.219 1.498 1.00 0.00 H new ATOM 516 N TYR A 34 -6.235 -0.523 8.094 1.00 0.00 N ATOM 517 CA TYR A 34 -5.149 -0.108 8.970 1.00 0.00 C ATOM 518 C TYR A 34 -4.789 -1.261 9.940 1.00 0.00 C ATOM 519 O TYR A 34 -3.654 -1.358 10.414 1.00 0.00 O ATOM 520 CB TYR A 34 -5.585 1.138 9.766 1.00 0.00 C ATOM 521 CG TYR A 34 -5.519 2.487 9.050 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.081 2.654 7.771 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.918 3.598 9.673 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.048 3.894 7.115 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.898 4.856 9.038 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.496 5.019 7.768 1.00 0.00 C ATOM 527 OH TYR A 34 -5.551 6.251 7.186 1.00 0.00 O ATOM 0 H TYR A 34 -7.094 0.011 8.225 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.270 0.136 8.373 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.611 0.983 10.099 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.965 1.200 10.661 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.547 1.810 7.284 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.468 3.485 10.648 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.443 3.988 6.114 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.425 5.697 9.523 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.125 6.910 7.773 1.00 0.00 H new ATOM 537 N ASN A 35 -5.756 -2.131 10.259 1.00 0.00 N ATOM 538 CA ASN A 35 -5.606 -3.326 11.092 1.00 0.00 C ATOM 539 C ASN A 35 -4.835 -4.422 10.371 1.00 0.00 C ATOM 540 O ASN A 35 -4.145 -5.176 11.045 1.00 0.00 O ATOM 541 CB ASN A 35 -6.956 -3.919 11.561 1.00 0.00 C ATOM 542 CG ASN A 35 -7.569 -3.183 12.741 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.872 -2.790 13.671 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.866 -2.952 12.776 1.00 0.00 N ATOM 0 H ASN A 35 -6.712 -2.012 9.925 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.052 -2.986 11.967 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.659 -3.902 10.728 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.809 -4.964 11.833 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.274 -2.454 13.567 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.462 -3.271 12.012 1.00 0.00 H new ATOM 551 N PHE A 36 -4.886 -4.523 9.037 1.00 0.00 N ATOM 552 CA PHE A 36 -4.107 -5.530 8.315 1.00 0.00 C ATOM 553 C PHE A 36 -2.611 -5.389 8.645 1.00 0.00 C ATOM 554 O PHE A 36 -1.896 -6.390 8.711 1.00 0.00 O ATOM 555 CB PHE A 36 -4.324 -5.373 6.797 1.00 0.00 C ATOM 556 CG PHE A 36 -3.483 -6.278 5.906 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.148 -5.941 5.601 1.00 0.00 C ATOM 558 CD2 PHE A 36 -4.032 -7.447 5.352 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.367 -6.774 4.782 1.00 0.00 C ATOM 560 CE2 PHE A 36 -3.249 -8.291 4.545 1.00 0.00 C ATOM 561 CZ PHE A 36 -1.916 -7.954 4.258 1.00 0.00 C ATOM 0 H PHE A 36 -5.456 -3.922 8.441 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.443 -6.519 8.626 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.376 -5.558 6.579 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.119 -4.337 6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.721 -5.033 6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.064 -7.699 5.548 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.345 -6.506 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.673 -9.200 4.145 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.316 -8.601 3.636 1.00 0.00 H new ATOM 571 N TRP A 37 -2.135 -4.149 8.813 1.00 0.00 N ATOM 572 CA TRP A 37 -0.733 -3.830 9.061 1.00 0.00 C ATOM 573 C TRP A 37 -0.262 -4.322 10.421 1.00 0.00 C ATOM 574 O TRP A 37 0.902 -4.693 10.583 1.00 0.00 O ATOM 575 CB TRP A 37 -0.543 -2.309 9.033 1.00 0.00 C ATOM 576 CG TRP A 37 -1.139 -1.561 7.886 1.00 0.00 C ATOM 577 CD1 TRP A 37 -1.308 -2.014 6.626 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.614 -0.187 7.880 1.00 0.00 C ATOM 579 NE1 TRP A 37 -1.892 -1.037 5.856 1.00 0.00 N ATOM 580 CE2 TRP A 37 -2.136 0.107 6.588 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.653 0.839 8.846 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -2.724 1.348 6.297 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -2.214 2.092 8.551 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.763 2.341 7.283 1.00 0.00 C ATOM 0 H TRP A 37 -2.733 -3.323 8.778 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.152 -4.326 8.283 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.960 -1.901 9.954 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.527 -2.103 9.049 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.027 -2.996 6.276 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.117 -1.144 4.867 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.245 0.658 9.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.143 1.535 5.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.223 2.867 9.303 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.215 3.298 7.068 1.00 0.00 H new ATOM 595 N LYS A 38 -1.155 -4.263 11.413 1.00 0.00 N ATOM 596 CA LYS A 38 -0.879 -4.679 12.773 1.00 0.00 C ATOM 597 C LYS A 38 -0.431 -6.129 12.705 1.00 0.00 C ATOM 598 O LYS A 38 -1.086 -6.936 12.048 1.00 0.00 O ATOM 599 CB LYS A 38 -2.142 -4.484 13.618 1.00 0.00 C ATOM 600 CG LYS A 38 -2.439 -3.003 13.869 1.00 0.00 C ATOM 601 CD LYS A 38 -3.716 -2.852 14.700 1.00 0.00 C ATOM 602 CE LYS A 38 -3.630 -1.732 15.739 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.463 -2.028 16.925 1.00 0.00 N ATOM 0 H LYS A 38 -2.105 -3.917 11.281 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.093 -4.089 13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.991 -4.944 13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.023 -4.997 14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.601 -2.540 14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.551 -2.481 12.919 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.555 -2.656 14.032 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.925 -3.794 15.207 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.593 -1.598 16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.954 -0.793 15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.382 -1.249 17.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.456 -2.132 16.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.137 -2.912 17.366 1.00 0.00 H new ATOM 617 N GLU A 39 0.692 -6.474 13.328 1.00 0.00 N ATOM 618 CA GLU A 39 1.142 -7.856 13.287 1.00 0.00 C ATOM 619 C GLU A 39 0.107 -8.772 13.943 1.00 0.00 C ATOM 620 O GLU A 39 -0.665 -8.351 14.816 1.00 0.00 O ATOM 621 CB GLU A 39 2.527 -8.012 13.921 1.00 0.00 C ATOM 622 CG GLU A 39 3.623 -7.473 12.996 1.00 0.00 C ATOM 623 CD GLU A 39 4.100 -6.060 13.345 1.00 0.00 C ATOM 624 OE1 GLU A 39 3.357 -5.070 13.160 1.00 0.00 O ATOM 625 OE2 GLU A 39 5.264 -5.926 13.800 1.00 0.00 O ATOM 0 H GLU A 39 1.290 -5.835 13.852 1.00 0.00 H new ATOM 0 HA GLU A 39 1.240 -8.155 12.243 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.556 -7.481 14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.715 -9.064 14.137 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.476 -8.151 13.028 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.252 -7.476 11.971 1.00 0.00 H new ATOM 632 N GLY A 40 0.110 -10.023 13.486 1.00 0.00 N ATOM 633 CA GLY A 40 -0.783 -11.098 13.902 1.00 0.00 C ATOM 634 C GLY A 40 -2.109 -11.096 13.137 1.00 0.00 C ATOM 635 O GLY A 40 -2.589 -12.157 12.739 1.00 0.00 O ATOM 0 H GLY A 40 0.774 -10.329 12.775 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.285 -12.056 13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.984 -11.005 14.969 1.00 0.00 H new ATOM 639 N TYR A 41 -2.685 -9.916 12.910 1.00 0.00 N ATOM 640 CA TYR A 41 -3.978 -9.683 12.274 1.00 0.00 C ATOM 641 C TYR A 41 -4.100 -10.394 10.924 1.00 0.00 C ATOM 642 O TYR A 41 -3.526 -9.974 9.919 1.00 0.00 O ATOM 643 CB TYR A 41 -4.212 -8.174 12.175 1.00 0.00 C ATOM 644 CG TYR A 41 -5.280 -7.654 13.104 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.610 -8.042 12.907 1.00 0.00 C ATOM 646 CD2 TYR A 41 -4.961 -6.753 14.133 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.641 -7.452 13.649 1.00 0.00 C ATOM 648 CE2 TYR A 41 -5.979 -6.174 14.905 1.00 0.00 C ATOM 649 CZ TYR A 41 -7.331 -6.513 14.656 1.00 0.00 C ATOM 650 OH TYR A 41 -8.336 -5.956 15.383 1.00 0.00 O ATOM 0 H TYR A 41 -2.232 -9.044 13.183 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.765 -10.119 12.889 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.276 -7.657 12.389 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.486 -7.926 11.149 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.843 -8.803 12.177 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.929 -6.505 14.331 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.670 -7.715 13.451 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.732 -5.471 15.687 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.959 -5.331 16.037 1.00 0.00 H new ATOM 660 N GLU A 42 -4.860 -11.489 10.888 1.00 0.00 N ATOM 661 CA GLU A 42 -5.069 -12.326 9.715 1.00 0.00 C ATOM 662 C GLU A 42 -6.221 -11.759 8.862 1.00 0.00 C ATOM 663 O GLU A 42 -7.237 -12.414 8.619 1.00 0.00 O ATOM 664 CB GLU A 42 -5.227 -13.790 10.190 1.00 0.00 C ATOM 665 CG GLU A 42 -4.408 -14.717 9.293 1.00 0.00 C ATOM 666 CD GLU A 42 -4.361 -16.166 9.789 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.355 -16.903 9.609 1.00 0.00 O ATOM 668 OE2 GLU A 42 -3.305 -16.589 10.318 1.00 0.00 O ATOM 0 H GLU A 42 -5.364 -11.827 11.708 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.215 -12.322 9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.896 -13.884 11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.278 -14.079 10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.827 -14.699 8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.390 -14.333 9.221 1.00 0.00 H new ATOM 675 N ILE A 43 -6.091 -10.491 8.456 1.00 0.00 N ATOM 676 CA ILE A 43 -7.091 -9.735 7.701 1.00 0.00 C ATOM 677 C ILE A 43 -7.119 -10.251 6.254 1.00 0.00 C ATOM 678 O ILE A 43 -6.323 -9.835 5.411 1.00 0.00 O ATOM 679 CB ILE A 43 -6.854 -8.222 7.872 1.00 0.00 C ATOM 680 CG1 ILE A 43 -7.021 -7.827 9.350 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.794 -7.339 7.041 1.00 0.00 C ATOM 682 CD1 ILE A 43 -8.292 -8.281 10.059 1.00 0.00 C ATOM 0 H ILE A 43 -5.253 -9.944 8.653 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.097 -9.894 8.088 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.839 -8.048 7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.168 -8.222 9.902 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.968 -6.740 9.416 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.560 -6.290 7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.664 -7.565 5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.827 -7.535 7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.276 -7.933 11.092 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.161 -7.865 9.549 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.348 -9.369 10.043 1.00 0.00 H new ATOM 694 N LYS A 44 -8.016 -11.193 5.948 1.00 0.00 N ATOM 695 CA LYS A 44 -8.048 -11.914 4.664 1.00 0.00 C ATOM 696 C LYS A 44 -9.280 -11.580 3.822 1.00 0.00 C ATOM 697 O LYS A 44 -9.497 -12.201 2.782 1.00 0.00 O ATOM 698 CB LYS A 44 -7.944 -13.418 4.899 1.00 0.00 C ATOM 699 CG LYS A 44 -6.531 -13.807 5.375 1.00 0.00 C ATOM 700 CD LYS A 44 -6.473 -15.257 5.854 1.00 0.00 C ATOM 701 CE LYS A 44 -7.453 -15.385 7.019 1.00 0.00 C ATOM 702 NZ LYS A 44 -7.314 -16.654 7.742 1.00 0.00 N ATOM 0 H LYS A 44 -8.752 -11.483 6.592 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.184 -11.579 4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.679 -13.725 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.181 -13.951 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.821 -13.665 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.225 -13.144 6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.742 -15.940 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.463 -15.518 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.297 -14.558 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.472 -15.297 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.196 -16.861 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.117 -17.419 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.530 -16.582 8.421 1.00 0.00 H new ATOM 716 N ASN A 45 -10.095 -10.621 4.258 1.00 0.00 N ATOM 717 CA ASN A 45 -11.286 -10.210 3.527 1.00 0.00 C ATOM 718 C ASN A 45 -10.944 -9.586 2.160 1.00 0.00 C ATOM 719 O ASN A 45 -9.768 -9.409 1.818 1.00 0.00 O ATOM 720 CB ASN A 45 -12.120 -9.257 4.390 1.00 0.00 C ATOM 721 CG ASN A 45 -13.498 -9.097 3.779 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.060 -10.042 3.225 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.035 -7.907 3.766 1.00 0.00 N ATOM 0 H ASN A 45 -9.946 -10.109 5.128 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.878 -11.100 3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.203 -9.647 5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.627 -8.287 4.461 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.927 -7.755 3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.563 -7.129 4.227 1.00 0.00 H new ATOM 730 N ARG A 46 -11.961 -9.294 1.344 1.00 0.00 N ATOM 731 CA ARG A 46 -11.818 -8.775 -0.009 1.00 0.00 C ATOM 732 C ARG A 46 -11.464 -7.296 0.036 1.00 0.00 C ATOM 733 O ARG A 46 -10.450 -6.911 -0.534 1.00 0.00 O ATOM 734 CB ARG A 46 -13.094 -8.937 -0.846 1.00 0.00 C ATOM 735 CG ARG A 46 -13.917 -10.206 -0.617 1.00 0.00 C ATOM 736 CD ARG A 46 -15.320 -9.918 -1.155 1.00 0.00 C ATOM 737 NE ARG A 46 -15.904 -11.083 -1.834 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.641 -12.059 -1.311 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.053 -11.999 -0.051 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.935 -13.126 -2.045 1.00 0.00 N ATOM 0 H ARG A 46 -12.935 -9.418 1.621 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.025 -9.356 -0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.736 -8.077 -0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.816 -8.899 -1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.471 -11.056 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.952 -10.459 0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.968 -9.617 -0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.276 -9.079 -1.850 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.721 -11.152 -2.835 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.805 -11.197 0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.618 -12.754 0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.596 -13.194 -3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.500 -13.877 -1.649 1.00 0.00 H new ATOM 754 N GLU A 47 -12.317 -6.477 0.667 1.00 0.00 N ATOM 755 CA GLU A 47 -12.431 -5.029 0.441 1.00 0.00 C ATOM 756 C GLU A 47 -11.110 -4.283 0.661 1.00 0.00 C ATOM 757 O GLU A 47 -10.884 -3.237 0.048 1.00 0.00 O ATOM 758 CB GLU A 47 -13.539 -4.423 1.320 1.00 0.00 C ATOM 759 CG GLU A 47 -14.956 -4.879 0.932 1.00 0.00 C ATOM 760 CD GLU A 47 -15.401 -6.138 1.687 1.00 0.00 C ATOM 761 OE1 GLU A 47 -14.994 -7.249 1.285 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.063 -6.041 2.748 1.00 0.00 O ATOM 0 H GLU A 47 -12.970 -6.816 1.374 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.696 -4.903 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.353 -4.691 2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.487 -3.336 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.661 -4.072 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.990 -5.072 -0.140 1.00 0.00 H new ATOM 769 N THR A 48 -10.218 -4.832 1.476 1.00 0.00 N ATOM 770 CA THR A 48 -8.848 -4.396 1.678 1.00 0.00 C ATOM 771 C THR A 48 -8.100 -4.347 0.340 1.00 0.00 C ATOM 772 O THR A 48 -7.512 -3.332 -0.020 1.00 0.00 O ATOM 773 CB THR A 48 -8.182 -5.385 2.656 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.134 -5.952 3.538 1.00 0.00 O ATOM 775 CG2 THR A 48 -7.062 -4.723 3.459 1.00 0.00 C ATOM 0 H THR A 48 -10.450 -5.644 2.048 1.00 0.00 H new ATOM 0 HA THR A 48 -8.821 -3.389 2.096 1.00 0.00 H new ATOM 0 HB THR A 48 -7.744 -6.179 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.426 -5.275 4.184 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.619 -5.453 4.136 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.298 -4.349 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.470 -3.894 4.037 1.00 0.00 H new ATOM 783 N GLY A 49 -8.147 -5.432 -0.434 1.00 0.00 N ATOM 784 CA GLY A 49 -7.519 -5.543 -1.738 1.00 0.00 C ATOM 785 C GLY A 49 -8.119 -4.571 -2.730 1.00 0.00 C ATOM 786 O GLY A 49 -7.383 -3.936 -3.470 1.00 0.00 O ATOM 0 H GLY A 49 -8.640 -6.281 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.449 -5.355 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.632 -6.561 -2.111 1.00 0.00 H new ATOM 790 N CYS A 50 -9.443 -4.444 -2.742 1.00 0.00 N ATOM 791 CA CYS A 50 -10.185 -3.498 -3.551 1.00 0.00 C ATOM 792 C CYS A 50 -9.670 -2.084 -3.286 1.00 0.00 C ATOM 793 O CYS A 50 -9.366 -1.353 -4.227 1.00 0.00 O ATOM 794 CB CYS A 50 -11.667 -3.600 -3.191 1.00 0.00 C ATOM 795 SG CYS A 50 -12.517 -5.205 -3.387 1.00 0.00 S ATOM 0 H CYS A 50 -10.048 -5.025 -2.162 1.00 0.00 H new ATOM 0 HA CYS A 50 -10.053 -3.723 -4.609 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.775 -3.296 -2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -12.203 -2.868 -3.794 1.00 0.00 H new ATOM 800 N ALA A 51 -9.547 -1.714 -2.006 1.00 0.00 N ATOM 801 CA ALA A 51 -8.936 -0.456 -1.617 1.00 0.00 C ATOM 802 C ALA A 51 -7.522 -0.343 -2.160 1.00 0.00 C ATOM 803 O ALA A 51 -7.262 0.626 -2.854 1.00 0.00 O ATOM 804 CB ALA A 51 -8.930 -0.247 -0.102 1.00 0.00 C ATOM 0 H ALA A 51 -9.869 -2.281 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.552 0.330 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.462 0.709 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.955 -0.249 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.369 -1.052 0.374 1.00 0.00 H new ATOM 810 N ILE A 52 -6.616 -1.279 -1.866 1.00 0.00 N ATOM 811 CA ILE A 52 -5.231 -1.267 -2.347 1.00 0.00 C ATOM 812 C ILE A 52 -5.201 -1.038 -3.869 1.00 0.00 C ATOM 813 O ILE A 52 -4.517 -0.143 -4.350 1.00 0.00 O ATOM 814 CB ILE A 52 -4.537 -2.573 -1.905 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.365 -2.605 -0.371 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.161 -2.763 -2.556 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.000 -3.986 0.176 1.00 0.00 C ATOM 0 H ILE A 52 -6.828 -2.083 -1.275 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.673 -0.440 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.185 -3.386 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.590 -1.894 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.291 -2.271 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.720 -3.697 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.273 -2.795 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.511 -1.932 -2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.895 -3.932 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.786 -4.697 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.058 -4.314 -0.264 1.00 0.00 H new ATOM 829 N MET A 53 -5.980 -1.813 -4.614 1.00 0.00 N ATOM 830 CA MET A 53 -6.062 -1.811 -6.066 1.00 0.00 C ATOM 831 C MET A 53 -6.568 -0.473 -6.622 1.00 0.00 C ATOM 832 O MET A 53 -6.149 -0.052 -7.695 1.00 0.00 O ATOM 833 CB MET A 53 -6.982 -2.984 -6.426 1.00 0.00 C ATOM 834 CG MET A 53 -7.170 -3.241 -7.913 1.00 0.00 C ATOM 835 SD MET A 53 -8.756 -2.688 -8.610 1.00 0.00 S ATOM 836 CE MET A 53 -9.963 -3.525 -7.542 1.00 0.00 C ATOM 0 H MET A 53 -6.607 -2.499 -4.194 1.00 0.00 H new ATOM 0 HA MET A 53 -5.078 -1.930 -6.519 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.583 -3.889 -5.967 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.960 -2.805 -5.980 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.363 -2.746 -8.454 1.00 0.00 H new ATOM 0 HG3 MET A 53 -7.067 -4.311 -8.095 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.896 -3.666 -8.088 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.570 -4.495 -7.239 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.149 -2.917 -6.657 1.00 0.00 H new ATOM 846 N CYS A 54 -7.448 0.228 -5.905 1.00 0.00 N ATOM 847 CA CYS A 54 -7.827 1.597 -6.242 1.00 0.00 C ATOM 848 C CYS A 54 -6.731 2.582 -5.815 1.00 0.00 C ATOM 849 O CYS A 54 -6.418 3.546 -6.515 1.00 0.00 O ATOM 850 CB CYS A 54 -9.160 1.908 -5.555 1.00 0.00 C ATOM 851 SG CYS A 54 -9.600 3.662 -5.496 1.00 0.00 S ATOM 0 H CYS A 54 -7.916 -0.138 -5.076 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.944 1.701 -7.321 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.953 1.367 -6.072 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.124 1.523 -4.536 1.00 0.00 H new ATOM 856 N LEU A 55 -6.153 2.372 -4.635 1.00 0.00 N ATOM 857 CA LEU A 55 -5.137 3.238 -4.058 1.00 0.00 C ATOM 858 C LEU A 55 -3.872 3.310 -4.895 1.00 0.00 C ATOM 859 O LEU A 55 -3.156 4.307 -4.801 1.00 0.00 O ATOM 860 CB LEU A 55 -4.782 2.784 -2.639 1.00 0.00 C ATOM 861 CG LEU A 55 -5.821 3.187 -1.589 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.481 2.481 -0.281 1.00 0.00 C ATOM 863 CD2 LEU A 55 -5.806 4.699 -1.389 1.00 0.00 C ATOM 0 H LEU A 55 -6.386 1.575 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.571 4.238 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.671 1.700 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.816 3.206 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.818 2.897 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.211 2.755 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.504 1.402 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.485 2.780 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.549 4.974 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.818 5.012 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.041 5.193 -2.332 1.00 0.00 H new ATOM 875 N SER A 56 -3.612 2.318 -5.741 1.00 0.00 N ATOM 876 CA SER A 56 -2.458 2.323 -6.612 1.00 0.00 C ATOM 877 C SER A 56 -2.555 3.423 -7.696 1.00 0.00 C ATOM 878 O SER A 56 -1.550 3.786 -8.309 1.00 0.00 O ATOM 879 CB SER A 56 -2.202 0.870 -7.050 1.00 0.00 C ATOM 880 OG SER A 56 -3.153 0.323 -7.934 1.00 0.00 O ATOM 0 H SER A 56 -4.201 1.490 -5.837 1.00 0.00 H new ATOM 0 HA SER A 56 -1.543 2.635 -6.108 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.222 0.820 -7.524 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.158 0.243 -6.159 1.00 0.00 H new ATOM 0 HG SER A 56 -4.042 0.362 -7.523 1.00 0.00 H new ATOM 886 N THR A 57 -3.713 4.102 -7.818 1.00 0.00 N ATOM 887 CA THR A 57 -3.875 5.293 -8.661 1.00 0.00 C ATOM 888 C THR A 57 -4.182 6.546 -7.818 1.00 0.00 C ATOM 889 O THR A 57 -4.666 7.568 -8.310 1.00 0.00 O ATOM 890 CB THR A 57 -4.785 4.995 -9.868 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.644 5.991 -10.863 1.00 0.00 O ATOM 892 CG2 THR A 57 -6.267 4.838 -9.536 1.00 0.00 C ATOM 0 H THR A 57 -4.566 3.833 -7.328 1.00 0.00 H new ATOM 0 HA THR A 57 -2.929 5.560 -9.131 1.00 0.00 H new ATOM 0 HB THR A 57 -4.443 4.026 -10.231 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.630 6.875 -10.441 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.824 4.631 -10.449 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.398 4.013 -8.836 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.638 5.758 -9.085 1.00 0.00 H new ATOM 900 N LYS A 58 -3.884 6.489 -6.517 1.00 0.00 N ATOM 901 CA LYS A 58 -4.118 7.552 -5.539 1.00 0.00 C ATOM 902 C LYS A 58 -2.802 7.972 -4.889 1.00 0.00 C ATOM 903 O LYS A 58 -2.825 8.609 -3.841 1.00 0.00 O ATOM 904 CB LYS A 58 -5.125 7.076 -4.479 1.00 0.00 C ATOM 905 CG LYS A 58 -6.492 6.664 -5.045 1.00 0.00 C ATOM 906 CD LYS A 58 -7.464 7.815 -5.137 1.00 0.00 C ATOM 907 CE LYS A 58 -8.787 7.298 -5.700 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.722 6.801 -7.097 1.00 0.00 N ATOM 0 H LYS A 58 -3.454 5.664 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.537 8.420 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.697 6.229 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.272 7.873 -3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.353 6.233 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.920 5.884 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.620 8.257 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.061 8.599 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.147 6.492 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.524 8.099 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.440 7.287 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.778 6.990 -7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.903 5.777 -7.110 1.00 0.00 H new ATOM 922 N LEU A 59 -1.649 7.648 -5.470 1.00 0.00 N ATOM 923 CA LEU A 59 -0.331 7.992 -4.928 1.00 0.00 C ATOM 924 C LEU A 59 -0.241 9.497 -4.674 1.00 0.00 C ATOM 925 O LEU A 59 0.273 9.924 -3.648 1.00 0.00 O ATOM 926 CB LEU A 59 0.780 7.554 -5.910 1.00 0.00 C ATOM 927 CG LEU A 59 0.600 6.186 -6.598 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.688 5.939 -7.653 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.545 5.038 -5.595 1.00 0.00 C ATOM 0 H LEU A 59 -1.601 7.129 -6.347 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.194 7.466 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.868 8.315 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.726 7.540 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.364 6.218 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.530 4.966 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.639 6.717 -8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.668 5.959 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.417 4.095 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.473 5.009 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.295 5.188 -4.916 1.00 0.00 H new ATOM 941 N ASN A 60 -0.834 10.299 -5.560 1.00 0.00 N ATOM 942 CA ASN A 60 -0.903 11.757 -5.485 1.00 0.00 C ATOM 943 C ASN A 60 -1.786 12.279 -4.338 1.00 0.00 C ATOM 944 O ASN A 60 -1.709 13.462 -3.991 1.00 0.00 O ATOM 945 CB ASN A 60 -1.446 12.293 -6.821 1.00 0.00 C ATOM 946 CG ASN A 60 -2.924 11.970 -6.987 1.00 0.00 C ATOM 947 OD1 ASN A 60 -3.261 10.740 -7.345 1.00 0.00 O flip ATOM 948 ND2 ASN A 60 -3.777 12.817 -6.748 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.301 9.931 -6.389 1.00 0.00 H new ATOM 0 HA ASN A 60 0.108 12.113 -5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.300 13.372 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.882 11.858 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.498 13.759 -6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.766 12.580 -6.823 1.00 0.00 H new ATOM 955 N MET A 61 -2.637 11.424 -3.767 1.00 0.00 N ATOM 956 CA MET A 61 -3.490 11.710 -2.617 1.00 0.00 C ATOM 957 C MET A 61 -2.773 11.350 -1.324 1.00 0.00 C ATOM 958 O MET A 61 -2.894 12.059 -0.328 1.00 0.00 O ATOM 959 CB MET A 61 -4.775 10.881 -2.689 1.00 0.00 C ATOM 960 CG MET A 61 -5.662 11.348 -3.838 1.00 0.00 C ATOM 961 SD MET A 61 -6.425 12.963 -3.519 1.00 0.00 S ATOM 962 CE MET A 61 -7.427 12.543 -2.070 1.00 0.00 C ATOM 0 H MET A 61 -2.754 10.471 -4.111 1.00 0.00 H new ATOM 0 HA MET A 61 -3.726 12.774 -2.633 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.526 9.828 -2.822 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.319 10.964 -1.748 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.068 11.405 -4.750 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.444 10.609 -4.012 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.250 13.252 -1.979 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.827 11.536 -2.184 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.808 12.588 -1.174 1.00 0.00 H new ATOM 972 N LEU A 62 -2.040 10.238 -1.336 1.00 0.00 N ATOM 973 CA LEU A 62 -1.195 9.801 -0.242 1.00 0.00 C ATOM 974 C LEU A 62 -0.068 10.807 -0.045 1.00 0.00 C ATOM 975 O LEU A 62 0.191 11.215 1.090 1.00 0.00 O ATOM 976 CB LEU A 62 -0.666 8.398 -0.588 1.00 0.00 C ATOM 977 CG LEU A 62 -1.745 7.348 -0.870 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.151 6.079 -1.460 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.536 6.983 0.382 1.00 0.00 C ATOM 0 H LEU A 62 -2.022 9.602 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.747 9.746 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.019 8.476 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.046 8.047 0.237 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.421 7.804 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.946 5.358 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.648 6.315 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.432 5.654 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.289 6.236 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.859 6.579 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.026 7.874 0.775 1.00 0.00 H new ATOM 991 N ASP A 63 0.526 11.244 -1.157 1.00 0.00 N ATOM 992 CA ASP A 63 1.703 12.107 -1.217 1.00 0.00 C ATOM 993 C ASP A 63 1.416 13.377 -2.027 1.00 0.00 C ATOM 994 O ASP A 63 1.383 13.343 -3.263 1.00 0.00 O ATOM 995 CB ASP A 63 2.903 11.345 -1.772 1.00 0.00 C ATOM 996 CG ASP A 63 4.182 12.150 -1.566 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.507 12.986 -2.431 1.00 0.00 O ATOM 998 OD2 ASP A 63 4.833 11.963 -0.513 1.00 0.00 O ATOM 0 H ASP A 63 0.181 10.993 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 63 1.949 12.419 -0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.990 10.378 -1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.757 11.147 -2.834 1.00 0.00 H new ATOM 1003 N PRO A 64 1.119 14.508 -1.364 1.00 0.00 N ATOM 1004 CA PRO A 64 0.793 15.744 -2.060 1.00 0.00 C ATOM 1005 C PRO A 64 2.007 16.408 -2.715 1.00 0.00 C ATOM 1006 O PRO A 64 1.847 17.126 -3.702 1.00 0.00 O ATOM 1007 CB PRO A 64 0.200 16.656 -0.993 1.00 0.00 C ATOM 1008 CG PRO A 64 0.799 16.163 0.321 1.00 0.00 C ATOM 1009 CD PRO A 64 0.977 14.668 0.079 1.00 0.00 C ATOM 0 HA PRO A 64 0.106 15.544 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.457 17.699 -1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.888 16.593 -0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.748 16.652 0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.137 16.359 1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.856 14.290 0.602 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.119 14.108 0.451 1.00 0.00 H new ATOM 1017 N GLU A 65 3.211 16.200 -2.180 1.00 0.00 N ATOM 1018 CA GLU A 65 4.458 16.649 -2.800 1.00 0.00 C ATOM 1019 C GLU A 65 4.638 16.007 -4.187 1.00 0.00 C ATOM 1020 O GLU A 65 5.255 16.609 -5.067 1.00 0.00 O ATOM 1021 CB GLU A 65 5.653 16.313 -1.895 1.00 0.00 C ATOM 1022 CG GLU A 65 5.633 17.040 -0.550 1.00 0.00 C ATOM 1023 CD GLU A 65 6.808 16.584 0.321 1.00 0.00 C ATOM 1024 OE1 GLU A 65 7.917 17.157 0.212 1.00 0.00 O ATOM 1025 OE2 GLU A 65 6.619 15.613 1.084 1.00 0.00 O ATOM 0 H GLU A 65 3.349 15.711 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 65 4.409 17.730 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.670 15.238 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.575 16.564 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.687 18.117 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.693 16.842 -0.036 1.00 0.00 H new ATOM 1032 N GLY A 66 4.053 14.828 -4.408 1.00 0.00 N ATOM 1033 CA GLY A 66 4.072 14.093 -5.653 1.00 0.00 C ATOM 1034 C GLY A 66 5.336 13.277 -5.866 1.00 0.00 C ATOM 1035 O GLY A 66 5.651 12.985 -7.012 1.00 0.00 O ATOM 0 H GLY A 66 3.529 14.344 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.211 13.425 -5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.960 14.795 -6.480 1.00 0.00 H new ATOM 1039 N ASN A 67 6.043 12.901 -4.797 1.00 0.00 N ATOM 1040 CA ASN A 67 7.269 12.108 -4.869 1.00 0.00 C ATOM 1041 C ASN A 67 6.983 10.678 -5.312 1.00 0.00 C ATOM 1042 O ASN A 67 7.762 10.092 -6.063 1.00 0.00 O ATOM 1043 CB ASN A 67 7.976 12.085 -3.503 1.00 0.00 C ATOM 1044 CG ASN A 67 8.799 13.340 -3.301 1.00 0.00 C ATOM 1045 OD1 ASN A 67 10.009 13.347 -3.511 1.00 0.00 O ATOM 1046 ND2 ASN A 67 8.162 14.426 -2.915 1.00 0.00 N ATOM 0 H ASN A 67 5.774 13.144 -3.843 1.00 0.00 H new ATOM 0 HA ASN A 67 7.917 12.578 -5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.236 11.998 -2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.620 11.208 -3.437 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.674 15.298 -2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.156 14.395 -2.747 1.00 0.00 H new ATOM 1053 N LEU A 68 5.902 10.080 -4.809 1.00 0.00 N ATOM 1054 CA LEU A 68 5.573 8.695 -5.113 1.00 0.00 C ATOM 1055 C LEU A 68 4.948 8.619 -6.507 1.00 0.00 C ATOM 1056 O LEU A 68 3.746 8.859 -6.666 1.00 0.00 O ATOM 1057 CB LEU A 68 4.668 8.109 -4.018 1.00 0.00 C ATOM 1058 CG LEU A 68 4.371 6.614 -4.272 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.647 5.774 -4.197 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.367 6.085 -3.254 1.00 0.00 C ATOM 0 H LEU A 68 5.239 10.540 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 68 6.477 8.085 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.148 8.226 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.732 8.666 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 68 3.952 6.533 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.405 4.727 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.355 6.120 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.092 5.876 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.171 5.031 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.774 6.198 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.437 6.648 -3.334 1.00 0.00 H new ATOM 1072 N HIS A 69 5.753 8.328 -7.527 1.00 0.00 N ATOM 1073 CA HIS A 69 5.269 8.125 -8.885 1.00 0.00 C ATOM 1074 C HIS A 69 4.917 6.660 -9.083 1.00 0.00 C ATOM 1075 O HIS A 69 5.457 5.779 -8.415 1.00 0.00 O ATOM 1076 CB HIS A 69 6.335 8.549 -9.889 1.00 0.00 C ATOM 1077 CG HIS A 69 6.694 10.007 -9.760 1.00 0.00 C ATOM 1078 ND1 HIS A 69 5.843 11.065 -9.988 1.00 0.00 N ATOM 1079 CD2 HIS A 69 7.887 10.516 -9.327 1.00 0.00 C ATOM 1080 CE1 HIS A 69 6.515 12.189 -9.695 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.782 11.912 -9.339 1.00 0.00 N ATOM 0 H HIS A 69 6.763 8.227 -7.431 1.00 0.00 H new ATOM 0 HA HIS A 69 4.379 8.733 -9.045 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.229 7.943 -9.744 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.977 8.353 -10.900 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.754 9.944 -9.029 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.095 13.183 -9.739 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.518 12.584 -9.122 1.00 0.00 H new ATOM 1089 N HIS A 70 4.058 6.403 -10.063 1.00 0.00 N ATOM 1090 CA HIS A 70 3.738 5.053 -10.496 1.00 0.00 C ATOM 1091 C HIS A 70 4.983 4.582 -11.237 1.00 0.00 C ATOM 1092 O HIS A 70 5.381 5.184 -12.244 1.00 0.00 O ATOM 1093 CB HIS A 70 2.423 5.030 -11.305 1.00 0.00 C ATOM 1094 CG HIS A 70 1.937 3.709 -11.866 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.723 2.657 -12.212 1.00 0.00 N flip ATOM 1096 CD2 HIS A 70 0.641 3.343 -12.175 1.00 0.00 C flip ATOM 1097 CE1 HIS A 70 1.945 1.669 -12.806 1.00 0.00 C flip ATOM 1098 NE2 HIS A 70 0.682 2.101 -12.702 1.00 0.00 N flip ATOM 0 H HIS A 70 3.563 7.130 -10.580 1.00 0.00 H new ATOM 0 HA HIS A 70 3.525 4.361 -9.681 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.635 5.428 -10.666 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.536 5.722 -12.140 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.245 3.942 -12.022 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.287 0.749 -13.256 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.138 1.564 -12.983 1.00 0.00 H new ATOM 1106 N GLY A 71 5.595 3.525 -10.712 1.00 0.00 N ATOM 1107 CA GLY A 71 6.756 2.862 -11.266 1.00 0.00 C ATOM 1108 C GLY A 71 8.055 3.483 -10.781 1.00 0.00 C ATOM 1109 O GLY A 71 9.117 3.068 -11.252 1.00 0.00 O ATOM 0 H GLY A 71 5.274 3.091 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.735 1.807 -10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.716 2.910 -12.354 1.00 0.00 H new ATOM 1113 N ASN A 72 8.015 4.485 -9.889 1.00 0.00 N ATOM 1114 CA ASN A 72 9.233 5.108 -9.397 1.00 0.00 C ATOM 1115 C ASN A 72 9.038 5.690 -8.005 1.00 0.00 C ATOM 1116 O ASN A 72 8.473 6.771 -7.837 1.00 0.00 O ATOM 1117 CB ASN A 72 9.771 6.147 -10.392 1.00 0.00 C ATOM 1118 CG ASN A 72 11.278 5.990 -10.558 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.816 4.888 -10.601 1.00 0.00 O ATOM 1120 ND2 ASN A 72 11.992 7.087 -10.654 1.00 0.00 N ATOM 0 H ASN A 72 7.154 4.872 -9.502 1.00 0.00 H new ATOM 0 HA ASN A 72 9.992 4.331 -9.309 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.278 6.026 -11.356 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.540 7.152 -10.039 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.004 7.029 -10.766 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.535 7.998 -10.617 1.00 0.00 H new ATOM 1127 N ALA A 73 9.508 4.948 -7.005 1.00 0.00 N ATOM 1128 CA ALA A 73 9.287 5.235 -5.596 1.00 0.00 C ATOM 1129 C ALA A 73 10.594 5.417 -4.812 1.00 0.00 C ATOM 1130 O ALA A 73 10.553 5.652 -3.609 1.00 0.00 O ATOM 1131 CB ALA A 73 8.460 4.085 -5.019 1.00 0.00 C ATOM 0 H ALA A 73 10.067 4.109 -7.160 1.00 0.00 H new ATOM 0 HA ALA A 73 8.758 6.184 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.274 4.266 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.510 4.019 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.006 3.149 -5.136 1.00 0.00 H new ATOM 1137 N MET A 74 11.761 5.319 -5.457 1.00 0.00 N ATOM 1138 CA MET A 74 13.035 5.145 -4.770 1.00 0.00 C ATOM 1139 C MET A 74 13.466 6.433 -4.072 1.00 0.00 C ATOM 1140 O MET A 74 14.100 6.402 -3.018 1.00 0.00 O ATOM 1141 CB MET A 74 14.104 4.740 -5.793 1.00 0.00 C ATOM 1142 CG MET A 74 13.894 3.333 -6.364 1.00 0.00 C ATOM 1143 SD MET A 74 15.285 2.724 -7.358 1.00 0.00 S ATOM 1144 CE MET A 74 14.792 0.980 -7.509 1.00 0.00 C ATOM 0 H MET A 74 11.844 5.359 -6.473 1.00 0.00 H new ATOM 0 HA MET A 74 12.918 4.369 -4.014 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.105 5.460 -6.611 1.00 0.00 H new ATOM 0 HB3 MET A 74 15.086 4.791 -5.322 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.719 2.640 -5.541 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.994 3.332 -6.979 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.536 0.441 -8.095 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.720 0.535 -6.517 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.824 0.917 -8.006 1.00 0.00 H new ATOM 1154 N GLU A 75 13.133 7.579 -4.662 1.00 0.00 N ATOM 1155 CA GLU A 75 13.490 8.877 -4.095 1.00 0.00 C ATOM 1156 C GLU A 75 12.631 9.189 -2.867 1.00 0.00 C ATOM 1157 O GLU A 75 13.178 9.643 -1.858 1.00 0.00 O ATOM 1158 CB GLU A 75 13.369 9.972 -5.166 1.00 0.00 C ATOM 1159 CG GLU A 75 14.632 10.139 -6.013 1.00 0.00 C ATOM 1160 CD GLU A 75 15.669 11.047 -5.357 1.00 0.00 C ATOM 1161 OE1 GLU A 75 16.043 10.815 -4.190 1.00 0.00 O ATOM 1162 OE2 GLU A 75 16.122 12.018 -6.019 1.00 0.00 O ATOM 0 H GLU A 75 12.613 7.634 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 75 14.528 8.844 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.530 9.737 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.139 10.920 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.075 9.160 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.360 10.549 -6.986 1.00 0.00 H new ATOM 1169 N PHE A 76 11.330 8.878 -2.922 1.00 0.00 N ATOM 1170 CA PHE A 76 10.444 8.785 -1.768 1.00 0.00 C ATOM 1171 C PHE A 76 11.095 7.870 -0.743 1.00 0.00 C ATOM 1172 O PHE A 76 11.442 8.345 0.329 1.00 0.00 O ATOM 1173 CB PHE A 76 9.053 8.304 -2.236 1.00 0.00 C ATOM 1174 CG PHE A 76 8.198 7.557 -1.225 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.618 8.249 -0.154 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.920 6.186 -1.386 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.787 7.580 0.760 1.00 0.00 C ATOM 1178 CE2 PHE A 76 7.016 5.530 -0.527 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.465 6.231 0.557 1.00 0.00 C ATOM 0 H PHE A 76 10.855 8.679 -3.802 1.00 0.00 H new ATOM 0 HA PHE A 76 10.290 9.752 -1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.491 9.174 -2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.193 7.658 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.811 9.304 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.405 5.632 -2.176 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.396 8.105 1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.750 4.498 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.791 5.730 1.236 1.00 0.00 H new ATOM 1189 N ALA A 77 11.335 6.601 -1.070 1.00 0.00 N ATOM 1190 CA ALA A 77 11.831 5.611 -0.129 1.00 0.00 C ATOM 1191 C ALA A 77 13.112 6.080 0.585 1.00 0.00 C ATOM 1192 O ALA A 77 13.241 5.899 1.802 1.00 0.00 O ATOM 1193 CB ALA A 77 12.016 4.279 -0.859 1.00 0.00 C ATOM 0 H ALA A 77 11.187 6.232 -2.009 1.00 0.00 H new ATOM 0 HA ALA A 77 11.097 5.472 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.388 3.530 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.060 3.952 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.732 4.405 -1.671 1.00 0.00 H new ATOM 1199 N LYS A 78 14.023 6.763 -0.125 1.00 0.00 N ATOM 1200 CA LYS A 78 15.219 7.369 0.465 1.00 0.00 C ATOM 1201 C LYS A 78 14.908 8.277 1.643 1.00 0.00 C ATOM 1202 O LYS A 78 15.619 8.214 2.650 1.00 0.00 O ATOM 1203 CB LYS A 78 16.022 8.141 -0.592 1.00 0.00 C ATOM 1204 CG LYS A 78 17.227 7.342 -1.085 1.00 0.00 C ATOM 1205 CD LYS A 78 18.161 8.204 -1.940 1.00 0.00 C ATOM 1206 CE LYS A 78 17.676 8.327 -3.383 1.00 0.00 C ATOM 1207 NZ LYS A 78 18.649 9.056 -4.216 1.00 0.00 N ATOM 0 H LYS A 78 13.947 6.909 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 78 15.819 6.542 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.375 8.381 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.361 9.087 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.776 6.946 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.884 6.487 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.240 9.198 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.161 7.771 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.511 7.333 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.717 8.845 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.240 9.965 -4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.515 9.229 -3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.879 8.489 -5.057 1.00 0.00 H new ATOM 1221 N LYS A 79 13.856 9.093 1.559 1.00 0.00 N ATOM 1222 CA LYS A 79 13.465 9.993 2.641 1.00 0.00 C ATOM 1223 C LYS A 79 13.151 9.255 3.940 1.00 0.00 C ATOM 1224 O LYS A 79 13.188 9.876 5.003 1.00 0.00 O ATOM 1225 CB LYS A 79 12.248 10.822 2.248 1.00 0.00 C ATOM 1226 CG LYS A 79 12.545 11.848 1.149 1.00 0.00 C ATOM 1227 CD LYS A 79 11.601 13.059 1.257 1.00 0.00 C ATOM 1228 CE LYS A 79 10.753 13.339 0.008 1.00 0.00 C ATOM 1229 NZ LYS A 79 11.546 13.778 -1.155 1.00 0.00 N ATOM 0 H LYS A 79 13.252 9.147 0.739 1.00 0.00 H new ATOM 0 HA LYS A 79 14.324 10.641 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.456 10.154 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.871 11.342 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.580 12.181 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.433 11.381 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.932 12.904 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.196 13.945 1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.202 12.436 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.014 14.105 0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.998 13.626 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.772 14.789 -1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.428 13.229 -1.201 1.00 0.00 H new ATOM 1243 N HIS A 80 12.832 7.960 3.888 1.00 0.00 N ATOM 1244 CA HIS A 80 12.492 7.177 5.071 1.00 0.00 C ATOM 1245 C HIS A 80 13.641 6.243 5.456 1.00 0.00 C ATOM 1246 O HIS A 80 13.518 5.503 6.433 1.00 0.00 O ATOM 1247 CB HIS A 80 11.192 6.405 4.830 1.00 0.00 C ATOM 1248 CG HIS A 80 10.077 7.246 4.252 1.00 0.00 C ATOM 1249 ND1 HIS A 80 9.032 7.843 4.921 1.00 0.00 N ATOM 1250 CD2 HIS A 80 9.965 7.594 2.937 1.00 0.00 C ATOM 1251 CE1 HIS A 80 8.337 8.563 4.023 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.894 8.476 2.808 1.00 0.00 N ATOM 0 H HIS A 80 12.803 7.426 3.020 1.00 0.00 H new ATOM 0 HA HIS A 80 12.334 7.854 5.911 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.395 5.574 4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.857 5.974 5.773 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.598 7.246 2.134 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.449 9.134 4.251 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.595 8.958 1.960 1.00 0.00 H new ATOM 1260 N GLY A 81 14.751 6.282 4.708 1.00 0.00 N ATOM 1261 CA GLY A 81 15.979 5.560 5.006 1.00 0.00 C ATOM 1262 C GLY A 81 16.446 4.602 3.912 1.00 0.00 C ATOM 1263 O GLY A 81 17.605 4.188 3.958 1.00 0.00 O ATOM 0 H GLY A 81 14.814 6.836 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.771 6.284 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.836 4.994 5.927 1.00 0.00 H new ATOM 1267 N ALA A 82 15.566 4.225 2.979 1.00 0.00 N ATOM 1268 CA ALA A 82 15.825 3.116 2.052 1.00 0.00 C ATOM 1269 C ALA A 82 16.937 3.477 1.052 1.00 0.00 C ATOM 1270 O ALA A 82 16.886 4.566 0.476 1.00 0.00 O ATOM 1271 CB ALA A 82 14.546 2.773 1.269 1.00 0.00 C ATOM 0 H ALA A 82 14.661 4.675 2.845 1.00 0.00 H new ATOM 0 HA ALA A 82 16.144 2.257 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.748 1.949 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.760 2.481 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.222 3.645 0.702 1.00 0.00 H new ATOM 1277 N ASP A 83 17.910 2.602 0.767 1.00 0.00 N ATOM 1278 CA ASP A 83 18.750 2.794 -0.404 1.00 0.00 C ATOM 1279 C ASP A 83 18.015 2.240 -1.636 1.00 0.00 C ATOM 1280 O ASP A 83 16.879 1.767 -1.559 1.00 0.00 O ATOM 1281 CB ASP A 83 20.120 2.129 -0.285 1.00 0.00 C ATOM 1282 CG ASP A 83 20.158 0.685 0.183 1.00 0.00 C ATOM 1283 OD1 ASP A 83 20.136 0.443 1.405 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.323 -0.187 -0.702 1.00 0.00 O ATOM 0 H ASP A 83 18.126 1.774 1.322 1.00 0.00 H new ATOM 0 HA ASP A 83 18.933 3.864 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.605 2.180 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.723 2.722 0.402 1.00 0.00 H new ATOM 1289 N GLU A 84 18.654 2.309 -2.806 1.00 0.00 N ATOM 1290 CA GLU A 84 18.045 1.857 -4.059 1.00 0.00 C ATOM 1291 C GLU A 84 17.851 0.357 -4.040 1.00 0.00 C ATOM 1292 O GLU A 84 16.773 -0.111 -4.377 1.00 0.00 O ATOM 1293 CB GLU A 84 18.895 2.197 -5.282 1.00 0.00 C ATOM 1294 CG GLU A 84 19.166 3.686 -5.356 1.00 0.00 C ATOM 1295 CD GLU A 84 19.584 4.115 -6.760 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.737 3.829 -7.164 1.00 0.00 O ATOM 1297 OE2 GLU A 84 18.768 4.770 -7.446 1.00 0.00 O ATOM 0 H GLU A 84 19.600 2.676 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 84 17.091 2.378 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 84 19.839 1.654 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.383 1.871 -6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 84 18.272 4.234 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.951 3.949 -4.647 1.00 0.00 H new ATOM 1304 N THR A 85 18.882 -0.384 -3.645 1.00 0.00 N ATOM 1305 CA THR A 85 18.796 -1.840 -3.574 1.00 0.00 C ATOM 1306 C THR A 85 17.701 -2.270 -2.599 1.00 0.00 C ATOM 1307 O THR A 85 16.986 -3.215 -2.911 1.00 0.00 O ATOM 1308 CB THR A 85 20.162 -2.459 -3.256 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.023 -2.188 -4.340 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.122 -3.983 -3.108 1.00 0.00 C ATOM 0 H THR A 85 19.786 -0.001 -3.369 1.00 0.00 H new ATOM 0 HA THR A 85 18.509 -2.223 -4.553 1.00 0.00 H new ATOM 0 HB THR A 85 20.492 -2.030 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.906 -2.573 -4.160 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.122 -4.353 -2.884 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.445 -4.252 -2.297 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.770 -4.430 -4.038 1.00 0.00 H new ATOM 1318 N MET A 86 17.508 -1.578 -1.475 1.00 0.00 N ATOM 1319 CA MET A 86 16.407 -1.833 -0.554 1.00 0.00 C ATOM 1320 C MET A 86 15.057 -1.636 -1.239 1.00 0.00 C ATOM 1321 O MET A 86 14.185 -2.486 -1.102 1.00 0.00 O ATOM 1322 CB MET A 86 16.515 -0.841 0.609 1.00 0.00 C ATOM 1323 CG MET A 86 17.357 -1.311 1.786 1.00 0.00 C ATOM 1324 SD MET A 86 17.231 -0.140 3.164 1.00 0.00 S ATOM 1325 CE MET A 86 18.076 -1.104 4.419 1.00 0.00 C ATOM 0 H MET A 86 18.120 -0.818 -1.178 1.00 0.00 H new ATOM 0 HA MET A 86 16.471 -2.864 -0.206 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.935 0.092 0.232 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.511 -0.616 0.968 1.00 0.00 H new ATOM 0 HG2 MET A 86 17.024 -2.298 2.108 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.398 -1.410 1.479 1.00 0.00 H new ATOM 0 HE1 MET A 86 17.468 -1.137 5.323 1.00 0.00 H new ATOM 0 HE2 MET A 86 18.237 -2.118 4.052 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.038 -0.643 4.645 1.00 0.00 H new ATOM 1335 N ALA A 87 14.861 -0.542 -1.974 1.00 0.00 N ATOM 1336 CA ALA A 87 13.639 -0.394 -2.753 1.00 0.00 C ATOM 1337 C ALA A 87 13.537 -1.544 -3.753 1.00 0.00 C ATOM 1338 O ALA A 87 12.533 -2.246 -3.807 1.00 0.00 O ATOM 1339 CB ALA A 87 13.619 0.978 -3.431 1.00 0.00 C ATOM 0 H ALA A 87 15.517 0.236 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 87 12.764 -0.442 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.703 1.083 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.659 1.759 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.481 1.070 -4.092 1.00 0.00 H new ATOM 1345 N GLN A 88 14.596 -1.775 -4.528 1.00 0.00 N ATOM 1346 CA GLN A 88 14.627 -2.748 -5.601 1.00 0.00 C ATOM 1347 C GLN A 88 14.346 -4.163 -5.096 1.00 0.00 C ATOM 1348 O GLN A 88 13.716 -4.924 -5.825 1.00 0.00 O ATOM 1349 CB GLN A 88 15.969 -2.650 -6.350 1.00 0.00 C ATOM 1350 CG GLN A 88 16.035 -3.486 -7.636 1.00 0.00 C ATOM 1351 CD GLN A 88 14.926 -3.117 -8.616 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.075 -2.235 -9.446 1.00 0.00 O ATOM 1353 NE2 GLN A 88 13.779 -3.771 -8.532 1.00 0.00 N ATOM 0 H GLN A 88 15.477 -1.273 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 88 13.826 -2.519 -6.304 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.158 -1.606 -6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.769 -2.968 -5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.004 -3.340 -8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.959 -4.544 -7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.661 -4.507 -7.836 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.012 -3.539 -9.163 1.00 0.00 H new ATOM 1362 N GLN A 89 14.773 -4.501 -3.874 1.00 0.00 N ATOM 1363 CA GLN A 89 14.415 -5.712 -3.151 1.00 0.00 C ATOM 1364 C GLN A 89 12.900 -5.820 -3.102 1.00 0.00 C ATOM 1365 O GLN A 89 12.344 -6.817 -3.547 1.00 0.00 O ATOM 1366 CB GLN A 89 15.016 -5.687 -1.725 1.00 0.00 C ATOM 1367 CG GLN A 89 16.496 -6.065 -1.677 1.00 0.00 C ATOM 1368 CD GLN A 89 16.825 -7.104 -0.630 1.00 0.00 C ATOM 1369 OE1 GLN A 89 16.871 -6.811 0.561 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.147 -8.318 -1.054 1.00 0.00 N ATOM 0 H GLN A 89 15.408 -3.905 -3.343 1.00 0.00 H new ATOM 0 HA GLN A 89 14.822 -6.584 -3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.891 -4.689 -1.305 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.454 -6.373 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.798 -6.440 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.085 -5.168 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.102 -8.540 -2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.440 -9.031 -0.386 1.00 0.00 H new ATOM 1379 N LEU A 90 12.234 -4.808 -2.555 1.00 0.00 N ATOM 1380 CA LEU A 90 10.799 -4.828 -2.326 1.00 0.00 C ATOM 1381 C LEU A 90 10.038 -4.867 -3.652 1.00 0.00 C ATOM 1382 O LEU A 90 9.085 -5.625 -3.769 1.00 0.00 O ATOM 1383 CB LEU A 90 10.411 -3.612 -1.471 1.00 0.00 C ATOM 1384 CG LEU A 90 11.108 -3.598 -0.087 1.00 0.00 C ATOM 1385 CD1 LEU A 90 11.001 -2.248 0.599 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.581 -4.639 0.902 1.00 0.00 C ATOM 0 H LEU A 90 12.683 -3.943 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 90 10.524 -5.732 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.667 -2.700 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.330 -3.605 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 90 12.143 -3.837 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.505 -2.290 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.471 -1.486 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.951 -1.998 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.126 -4.556 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.520 -4.466 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.721 -5.638 0.488 1.00 0.00 H new ATOM 1398 N ILE A 91 10.495 -4.126 -4.656 1.00 0.00 N ATOM 1399 CA ILE A 91 9.944 -4.097 -6.014 1.00 0.00 C ATOM 1400 C ILE A 91 10.034 -5.498 -6.653 1.00 0.00 C ATOM 1401 O ILE A 91 9.073 -5.999 -7.240 1.00 0.00 O ATOM 1402 CB ILE A 91 10.703 -2.977 -6.771 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.200 -1.594 -6.274 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.671 -3.091 -8.309 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.238 -0.481 -6.327 1.00 0.00 C ATOM 0 H ILE A 91 11.294 -3.501 -4.545 1.00 0.00 H new ATOM 0 HA ILE A 91 8.880 -3.860 -6.042 1.00 0.00 H new ATOM 0 HB ILE A 91 11.760 -3.096 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.340 -1.299 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.851 -1.698 -5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.229 -2.263 -8.747 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.124 -4.035 -8.613 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.638 -3.056 -8.655 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.796 0.446 -5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.090 -0.748 -5.702 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.571 -0.343 -7.356 1.00 0.00 H new ATOM 1417 N ASP A 92 11.181 -6.177 -6.520 1.00 0.00 N ATOM 1418 CA ASP A 92 11.371 -7.541 -7.037 1.00 0.00 C ATOM 1419 C ASP A 92 10.385 -8.490 -6.382 1.00 0.00 C ATOM 1420 O ASP A 92 9.839 -9.392 -7.016 1.00 0.00 O ATOM 1421 CB ASP A 92 12.777 -8.050 -6.698 1.00 0.00 C ATOM 1422 CG ASP A 92 13.320 -9.150 -7.619 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.810 -9.390 -8.740 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.304 -9.809 -7.191 1.00 0.00 O ATOM 0 H ASP A 92 12.004 -5.797 -6.051 1.00 0.00 H new ATOM 0 HA ASP A 92 11.223 -7.509 -8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.466 -7.206 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.772 -8.426 -5.675 1.00 0.00 H new ATOM 1429 N ILE A 93 10.202 -8.299 -5.080 1.00 0.00 N ATOM 1430 CA ILE A 93 9.240 -9.016 -4.262 1.00 0.00 C ATOM 1431 C ILE A 93 7.794 -8.730 -4.689 1.00 0.00 C ATOM 1432 O ILE A 93 7.040 -9.694 -4.755 1.00 0.00 O ATOM 1433 CB ILE A 93 9.523 -8.742 -2.772 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.890 -9.379 -2.433 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.408 -9.296 -1.869 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.393 -9.118 -1.013 1.00 0.00 C ATOM 0 H ILE A 93 10.741 -7.615 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 93 9.360 -10.088 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 93 9.550 -7.668 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.819 -10.456 -2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.632 -9.006 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.644 -9.083 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.461 -8.825 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.328 -10.374 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.358 -9.606 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.503 -8.045 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.677 -9.517 -0.294 1.00 0.00 H new ATOM 1448 N VAL A 94 7.376 -7.497 -4.992 1.00 0.00 N ATOM 1449 CA VAL A 94 6.022 -7.205 -5.494 1.00 0.00 C ATOM 1450 C VAL A 94 5.774 -8.039 -6.749 1.00 0.00 C ATOM 1451 O VAL A 94 4.838 -8.848 -6.795 1.00 0.00 O ATOM 1452 CB VAL A 94 5.821 -5.685 -5.734 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.535 -5.320 -6.513 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.761 -4.978 -4.374 1.00 0.00 C ATOM 0 H VAL A 94 7.965 -6.670 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 94 5.282 -7.483 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 94 6.664 -5.363 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.478 -4.238 -6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.557 -5.794 -7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.663 -5.670 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.620 -3.908 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.928 -5.375 -3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.693 -5.148 -3.834 1.00 0.00 H new ATOM 1464 N HIS A 95 6.660 -7.917 -7.737 1.00 0.00 N ATOM 1465 CA HIS A 95 6.503 -8.594 -9.015 1.00 0.00 C ATOM 1466 C HIS A 95 6.741 -10.096 -8.861 1.00 0.00 C ATOM 1467 O HIS A 95 6.300 -10.889 -9.688 1.00 0.00 O ATOM 1468 CB HIS A 95 7.457 -7.949 -10.028 1.00 0.00 C ATOM 1469 CG HIS A 95 7.234 -6.460 -10.191 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.183 -5.533 -10.555 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.076 -5.773 -9.931 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.598 -4.322 -10.532 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.303 -4.423 -10.200 1.00 0.00 N ATOM 0 H HIS A 95 7.503 -7.347 -7.670 1.00 0.00 H new ATOM 0 HA HIS A 95 5.483 -8.483 -9.382 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.485 -8.124 -9.711 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.334 -8.437 -10.995 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.150 -6.202 -9.579 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.104 -3.393 -10.751 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.621 -3.666 -10.153 1.00 0.00 H new ATOM 1481 N GLY A 96 7.416 -10.498 -7.785 1.00 0.00 N ATOM 1482 CA GLY A 96 7.635 -11.868 -7.366 1.00 0.00 C ATOM 1483 C GLY A 96 6.471 -12.442 -6.571 1.00 0.00 C ATOM 1484 O GLY A 96 6.379 -13.657 -6.401 1.00 0.00 O ATOM 0 H GLY A 96 7.848 -9.829 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.807 -12.488 -8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.540 -11.916 -6.760 1.00 0.00 H new ATOM 1488 N CYS A 97 5.585 -11.603 -6.048 1.00 0.00 N ATOM 1489 CA CYS A 97 4.490 -12.005 -5.187 1.00 0.00 C ATOM 1490 C CYS A 97 3.252 -12.260 -6.011 1.00 0.00 C ATOM 1491 O CYS A 97 2.559 -13.238 -5.715 1.00 0.00 O ATOM 1492 CB CYS A 97 4.242 -10.986 -4.076 1.00 0.00 C ATOM 1493 SG CYS A 97 5.163 -11.407 -2.578 1.00 0.00 S ATOM 0 H CYS A 97 5.613 -10.598 -6.218 1.00 0.00 H new ATOM 0 HA CYS A 97 4.763 -12.936 -4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.535 -9.994 -4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.176 -10.944 -3.850 1.00 0.00 H new ATOM 1498 N GLU A 98 3.072 -11.512 -7.107 1.00 0.00 N ATOM 1499 CA GLU A 98 2.091 -11.842 -8.127 1.00 0.00 C ATOM 1500 C GLU A 98 2.185 -13.316 -8.531 1.00 0.00 C ATOM 1501 O GLU A 98 1.199 -13.947 -8.895 1.00 0.00 O ATOM 1502 CB GLU A 98 2.316 -11.075 -9.416 1.00 0.00 C ATOM 1503 CG GLU A 98 1.962 -9.601 -9.336 1.00 0.00 C ATOM 1504 CD GLU A 98 1.818 -9.020 -10.759 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.482 -9.777 -11.703 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.933 -7.801 -10.992 1.00 0.00 O ATOM 0 H GLU A 98 3.605 -10.665 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 98 1.129 -11.592 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.363 -11.170 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.725 -11.536 -10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.031 -9.471 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.735 -9.061 -8.789 1.00 0.00 H new ATOM 1513 N LYS A 99 3.413 -13.836 -8.538 1.00 0.00 N ATOM 1514 CA LYS A 99 3.749 -15.152 -9.043 1.00 0.00 C ATOM 1515 C LYS A 99 3.146 -16.230 -8.164 1.00 0.00 C ATOM 1516 O LYS A 99 2.566 -17.186 -8.679 1.00 0.00 O ATOM 1517 CB LYS A 99 5.256 -15.318 -9.138 1.00 0.00 C ATOM 1518 CG LYS A 99 5.962 -14.142 -9.800 1.00 0.00 C ATOM 1519 CD LYS A 99 5.439 -13.821 -11.195 1.00 0.00 C ATOM 1520 CE LYS A 99 5.732 -14.963 -12.163 1.00 0.00 C ATOM 1521 NZ LYS A 99 4.589 -15.244 -13.045 1.00 0.00 N ATOM 0 H LYS A 99 4.222 -13.330 -8.179 1.00 0.00 H new ATOM 0 HA LYS A 99 3.330 -15.254 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.661 -15.456 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.478 -16.226 -9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.851 -13.261 -9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.029 -14.358 -9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.365 -13.642 -11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.901 -12.903 -11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.603 -14.711 -12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.984 -15.861 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.830 -16.026 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.764 -15.509 -12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.364 -14.395 -13.603 1.00 0.00 H new ATOM 1535 N SER A 100 3.326 -16.066 -6.853 1.00 0.00 N ATOM 1536 CA SER A 100 2.810 -16.978 -5.856 1.00 0.00 C ATOM 1537 C SER A 100 1.289 -16.864 -5.772 1.00 0.00 C ATOM 1538 O SER A 100 0.611 -17.873 -5.576 1.00 0.00 O ATOM 1539 CB SER A 100 3.482 -16.686 -4.508 1.00 0.00 C ATOM 1540 OG SER A 100 3.038 -15.468 -3.926 1.00 0.00 O ATOM 0 H SER A 100 3.843 -15.281 -6.458 1.00 0.00 H new ATOM 0 HA SER A 100 3.041 -18.006 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.280 -17.507 -3.820 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.562 -16.645 -4.647 1.00 0.00 H new ATOM 0 HG SER A 100 2.899 -14.801 -4.630 1.00 0.00 H new ATOM 1546 N THR A 101 0.753 -15.642 -5.847 1.00 0.00 N ATOM 1547 CA THR A 101 -0.659 -15.384 -5.640 1.00 0.00 C ATOM 1548 C THR A 101 -1.383 -15.687 -6.948 1.00 0.00 C ATOM 1549 O THR A 101 -1.272 -14.909 -7.895 1.00 0.00 O ATOM 1550 CB THR A 101 -0.879 -13.940 -5.179 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.090 -13.659 -4.036 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.345 -13.742 -4.802 1.00 0.00 C ATOM 0 H THR A 101 1.297 -14.805 -6.055 1.00 0.00 H new ATOM 0 HA THR A 101 -1.059 -16.022 -4.852 1.00 0.00 H new ATOM 0 HB THR A 101 -0.597 -13.274 -5.995 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.827 -13.453 -4.314 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.501 -12.714 -4.474 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.974 -13.946 -5.668 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.608 -14.425 -3.994 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.124 -16.798 -7.038 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.605 -17.264 -8.315 1.00 0.00 C ATOM 1562 C PRO A 102 -3.620 -16.265 -8.849 1.00 0.00 C ATOM 1563 O PRO A 102 -4.468 -15.783 -8.088 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.197 -18.641 -8.057 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.669 -18.550 -6.609 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.663 -17.602 -5.956 1.00 0.00 C ATOM 0 HA PRO A 102 -1.826 -17.344 -9.073 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.021 -18.859 -8.736 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.456 -19.430 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.685 -18.162 -6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.669 -19.527 -6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.145 -16.976 -5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.873 -18.157 -5.449 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.495 -15.953 -10.140 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.321 -15.050 -10.908 1.00 0.00 C ATOM 1576 C ALA A 103 -5.777 -15.414 -10.663 1.00 0.00 C ATOM 1577 O ALA A 103 -6.290 -16.424 -11.149 1.00 0.00 O ATOM 1578 CB ALA A 103 -3.935 -15.117 -12.383 1.00 0.00 C ATOM 0 H ALA A 103 -2.754 -16.362 -10.709 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.170 -14.016 -10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.563 -14.433 -12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.889 -14.832 -12.499 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.077 -16.133 -12.751 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.383 -14.622 -9.800 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.753 -14.755 -9.341 1.00 0.00 C ATOM 1586 C ASN A 104 -8.666 -14.186 -10.418 1.00 0.00 C ATOM 1587 O ASN A 104 -8.240 -13.322 -11.190 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.873 -13.950 -8.044 1.00 0.00 C ATOM 1589 CG ASN A 104 -9.010 -14.379 -7.151 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.178 -14.350 -7.515 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -8.688 -14.797 -5.939 1.00 0.00 N ATOM 0 H ASN A 104 -5.907 -13.825 -9.377 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.031 -15.792 -9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.939 -14.035 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -8.000 -12.897 -8.294 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.417 -15.101 -5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.710 -14.816 -5.649 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.924 -14.599 -10.451 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.961 -13.906 -11.183 1.00 0.00 C ATOM 1600 C ASP A 105 -11.077 -12.453 -10.721 1.00 0.00 C ATOM 1601 O ASP A 105 -11.313 -11.557 -11.527 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.284 -14.636 -10.980 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.393 -14.031 -11.823 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -13.475 -14.406 -13.013 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.248 -13.300 -11.281 1.00 0.00 O ATOM 0 H ASP A 105 -10.252 -15.433 -9.964 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.706 -13.897 -12.243 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.163 -15.688 -11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.564 -14.597 -9.927 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.859 -12.221 -9.423 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.168 -10.969 -8.755 1.00 0.00 C ATOM 1612 C ASP A 106 -9.874 -10.229 -8.434 1.00 0.00 C ATOM 1613 O ASP A 106 -9.115 -10.653 -7.552 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.960 -11.268 -7.479 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.877 -10.130 -7.056 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.682 -8.974 -7.499 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.820 -10.421 -6.289 1.00 0.00 O ATOM 0 H ASP A 106 -10.453 -12.919 -8.800 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.772 -10.334 -9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.556 -12.167 -7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.263 -11.483 -6.669 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.567 -9.156 -9.170 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.281 -8.477 -9.038 1.00 0.00 C ATOM 1624 C LYS A 107 -8.086 -7.888 -7.641 1.00 0.00 C ATOM 1625 O LYS A 107 -6.954 -7.815 -7.179 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.096 -7.414 -10.142 1.00 0.00 C ATOM 1627 CG LYS A 107 -6.724 -7.580 -10.806 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.768 -8.691 -11.869 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.702 -8.071 -13.263 1.00 0.00 C ATOM 1630 NZ LYS A 107 -5.312 -7.999 -13.762 1.00 0.00 N ATOM 0 H LYS A 107 -10.193 -8.742 -9.861 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.501 -9.227 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.884 -7.512 -10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.184 -6.415 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.421 -6.640 -11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.975 -7.821 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.934 -9.378 -11.726 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.683 -9.274 -11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.307 -8.660 -13.953 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.132 -7.070 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.305 -7.573 -14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.741 -7.416 -13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.910 -8.957 -13.810 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.156 -7.512 -6.946 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.191 -7.091 -5.550 1.00 0.00 C ATOM 1646 C CYS A 108 -8.627 -8.191 -4.654 1.00 0.00 C ATOM 1647 O CYS A 108 -7.608 -8.013 -3.988 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.648 -6.735 -5.203 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.176 -6.754 -3.479 1.00 0.00 S ATOM 0 H CYS A 108 -10.083 -7.492 -7.372 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.567 -6.213 -5.386 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -10.843 -5.736 -5.594 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.292 -7.423 -5.750 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.296 -9.339 -4.637 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.931 -10.497 -3.820 1.00 0.00 C ATOM 1656 C ILE A 109 -7.503 -10.960 -4.148 1.00 0.00 C ATOM 1657 O ILE A 109 -6.740 -11.292 -3.234 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.027 -11.585 -3.988 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.366 -11.038 -3.426 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.644 -12.908 -3.305 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.560 -11.984 -3.555 1.00 0.00 C ATOM 0 H ILE A 109 -10.129 -9.497 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.900 -10.244 -2.760 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.134 -11.808 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.227 -10.795 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.604 -10.106 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.442 -13.637 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.721 -13.289 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.498 -12.738 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.447 -11.510 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.734 -12.209 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.352 -12.908 -3.016 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.113 -10.945 -5.423 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.730 -11.147 -5.834 1.00 0.00 C ATOM 1675 C TRP A 110 -4.805 -10.125 -5.181 1.00 0.00 C ATOM 1676 O TRP A 110 -3.870 -10.529 -4.504 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.634 -11.086 -7.354 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.281 -11.284 -7.948 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.655 -12.467 -8.126 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.404 -10.274 -8.514 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.431 -12.260 -8.730 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.251 -10.926 -9.043 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.480 -8.871 -8.642 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.241 -10.210 -9.699 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.454 -8.138 -9.260 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.343 -8.807 -9.795 1.00 0.00 C ATOM 0 H TRP A 110 -7.754 -10.791 -6.201 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.405 -12.133 -5.501 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.301 -11.842 -7.768 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.010 -10.116 -7.680 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.052 -13.430 -7.839 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.749 -12.995 -8.920 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.344 -8.350 -8.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.394 -10.727 -10.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.520 -7.062 -9.323 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.561 -8.244 -10.283 1.00 0.00 H new ATOM 1697 N THR A 111 -5.064 -8.831 -5.348 1.00 0.00 N ATOM 1698 CA THR A 111 -4.251 -7.729 -4.848 1.00 0.00 C ATOM 1699 C THR A 111 -3.999 -7.848 -3.338 1.00 0.00 C ATOM 1700 O THR A 111 -2.876 -7.610 -2.884 1.00 0.00 O ATOM 1701 CB THR A 111 -4.948 -6.415 -5.253 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.882 -6.278 -6.652 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.363 -5.159 -4.629 1.00 0.00 C ATOM 0 H THR A 111 -5.885 -8.508 -5.860 1.00 0.00 H new ATOM 0 HA THR A 111 -3.256 -7.751 -5.292 1.00 0.00 H new ATOM 0 HB THR A 111 -5.970 -6.498 -4.882 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.539 -6.873 -7.070 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.920 -4.288 -4.974 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.431 -5.226 -3.543 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.318 -5.060 -4.921 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.998 -8.263 -2.548 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.830 -8.502 -1.125 1.00 0.00 C ATOM 1713 C LEU A 112 -3.911 -9.704 -0.909 1.00 0.00 C ATOM 1714 O LEU A 112 -3.000 -9.635 -0.085 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.223 -8.690 -0.510 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.298 -8.857 1.011 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -6.038 -10.304 1.399 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.399 -7.893 1.794 1.00 0.00 C ATOM 0 H LEU A 112 -5.944 -8.440 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.351 -7.658 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.834 -7.830 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.680 -9.566 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.315 -8.587 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.095 -10.406 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.787 -10.945 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.046 -10.599 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.511 -8.077 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.359 -8.050 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.686 -6.865 1.571 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.119 -10.791 -1.653 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.195 -11.922 -1.679 1.00 0.00 C ATOM 1732 C GLY A 113 -1.746 -11.492 -1.957 1.00 0.00 C ATOM 1733 O GLY A 113 -0.850 -11.870 -1.201 1.00 0.00 O ATOM 0 H GLY A 113 -4.934 -10.911 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.238 -12.445 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.514 -12.630 -2.444 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.512 -10.668 -2.987 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.198 -10.135 -3.356 1.00 0.00 C ATOM 1739 C VAL A 114 0.383 -9.380 -2.150 1.00 0.00 C ATOM 1740 O VAL A 114 1.516 -9.645 -1.758 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.303 -9.265 -4.635 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.018 -8.588 -5.029 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.740 -10.110 -5.842 1.00 0.00 C ATOM 0 H VAL A 114 -2.257 -10.345 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 114 0.490 -10.943 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.038 -8.499 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.868 -7.996 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.349 -7.937 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.776 -9.349 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.806 -9.475 -6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.010 -10.900 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.715 -10.554 -5.641 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.396 -8.503 -1.503 1.00 0.00 N ATOM 1754 CA ALA A 115 0.041 -7.773 -0.313 1.00 0.00 C ATOM 1755 C ALA A 115 0.401 -8.716 0.845 1.00 0.00 C ATOM 1756 O ALA A 115 1.370 -8.479 1.562 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.056 -6.799 0.130 1.00 0.00 C ATOM 0 H ALA A 115 -1.348 -8.282 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 115 0.943 -7.221 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.726 -6.258 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.259 -6.090 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.964 -7.355 0.362 1.00 0.00 H new ATOM 1763 N THR A 116 -0.375 -9.785 1.036 1.00 0.00 N ATOM 1764 CA THR A 116 -0.140 -10.798 2.066 1.00 0.00 C ATOM 1765 C THR A 116 1.199 -11.499 1.796 1.00 0.00 C ATOM 1766 O THR A 116 1.995 -11.694 2.717 1.00 0.00 O ATOM 1767 CB THR A 116 -1.330 -11.786 2.101 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.577 -11.109 2.157 1.00 0.00 O ATOM 1769 CG2 THR A 116 -1.294 -12.733 3.303 1.00 0.00 C ATOM 0 H THR A 116 -1.201 -9.974 0.468 1.00 0.00 H new ATOM 0 HA THR A 116 -0.074 -10.335 3.051 1.00 0.00 H new ATOM 0 HB THR A 116 -1.232 -12.358 1.178 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.776 -10.717 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.156 -13.399 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.378 -13.323 3.274 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.322 -12.152 4.225 1.00 0.00 H new ATOM 1777 N CYS A 117 1.468 -11.848 0.532 1.00 0.00 N ATOM 1778 CA CYS A 117 2.753 -12.380 0.116 1.00 0.00 C ATOM 1779 C CYS A 117 3.864 -11.373 0.402 1.00 0.00 C ATOM 1780 O CYS A 117 4.883 -11.778 0.966 1.00 0.00 O ATOM 1781 CB CYS A 117 2.726 -12.786 -1.362 1.00 0.00 C ATOM 1782 SG CYS A 117 4.350 -13.208 -2.057 1.00 0.00 S ATOM 0 H CYS A 117 0.792 -11.766 -0.227 1.00 0.00 H new ATOM 0 HA CYS A 117 2.960 -13.280 0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.062 -13.642 -1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.298 -11.969 -1.942 1.00 0.00 H new ATOM 1787 N PHE A 118 3.694 -10.097 0.023 1.00 0.00 N ATOM 1788 CA PHE A 118 4.738 -9.100 0.157 1.00 0.00 C ATOM 1789 C PHE A 118 5.206 -9.010 1.615 1.00 0.00 C ATOM 1790 O PHE A 118 6.357 -9.294 1.933 1.00 0.00 O ATOM 1791 CB PHE A 118 4.229 -7.759 -0.406 1.00 0.00 C ATOM 1792 CG PHE A 118 5.194 -6.596 -0.289 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.547 -6.823 -0.009 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.756 -5.275 -0.466 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.449 -5.765 0.089 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.652 -4.206 -0.326 1.00 0.00 C ATOM 1797 CZ PHE A 118 6.998 -4.445 -0.036 1.00 0.00 C ATOM 0 H PHE A 118 2.829 -9.740 -0.382 1.00 0.00 H new ATOM 0 HA PHE A 118 5.616 -9.384 -0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.979 -7.897 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.305 -7.496 0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.897 -7.835 0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.722 -5.080 -0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.497 -5.963 0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.300 -3.192 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.684 -3.620 0.090 1.00 0.00 H new ATOM 1807 N LYS A 119 4.300 -8.657 2.514 1.00 0.00 N ATOM 1808 CA LYS A 119 4.509 -8.577 3.959 1.00 0.00 C ATOM 1809 C LYS A 119 5.259 -9.795 4.498 1.00 0.00 C ATOM 1810 O LYS A 119 6.173 -9.666 5.319 1.00 0.00 O ATOM 1811 CB LYS A 119 3.136 -8.479 4.634 1.00 0.00 C ATOM 1812 CG LYS A 119 3.200 -7.612 5.900 1.00 0.00 C ATOM 1813 CD LYS A 119 1.911 -7.672 6.740 1.00 0.00 C ATOM 1814 CE LYS A 119 2.206 -7.750 8.245 1.00 0.00 C ATOM 1815 NZ LYS A 119 2.827 -9.042 8.609 1.00 0.00 N ATOM 0 H LYS A 119 3.349 -8.405 2.246 1.00 0.00 H new ATOM 0 HA LYS A 119 5.119 -7.700 4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.414 -8.055 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.782 -9.477 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.041 -7.936 6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.393 -6.578 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.304 -6.790 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.324 -8.540 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.869 -6.933 8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 119 1.280 -7.619 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.707 -9.210 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.371 -9.809 8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.841 -9.017 8.380 1.00 0.00 H new ATOM 1829 N ALA A 120 4.839 -10.980 4.060 1.00 0.00 N ATOM 1830 CA ALA A 120 5.480 -12.228 4.457 1.00 0.00 C ATOM 1831 C ALA A 120 6.938 -12.307 3.974 1.00 0.00 C ATOM 1832 O ALA A 120 7.800 -12.712 4.746 1.00 0.00 O ATOM 1833 CB ALA A 120 4.647 -13.432 4.013 1.00 0.00 C ATOM 0 H ALA A 120 4.050 -11.100 3.424 1.00 0.00 H new ATOM 0 HA ALA A 120 5.525 -12.250 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.145 -14.352 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 120 3.661 -13.382 4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.541 -13.421 2.928 1.00 0.00 H new ATOM 1839 N GLU A 121 7.257 -11.889 2.748 1.00 0.00 N ATOM 1840 CA GLU A 121 8.632 -11.772 2.262 1.00 0.00 C ATOM 1841 C GLU A 121 9.415 -10.664 2.988 1.00 0.00 C ATOM 1842 O GLU A 121 10.615 -10.809 3.196 1.00 0.00 O ATOM 1843 CB GLU A 121 8.617 -11.486 0.761 1.00 0.00 C ATOM 1844 CG GLU A 121 8.687 -12.705 -0.157 1.00 0.00 C ATOM 1845 CD GLU A 121 10.113 -13.084 -0.568 1.00 0.00 C ATOM 1846 OE1 GLU A 121 10.818 -13.793 0.183 1.00 0.00 O ATOM 1847 OE2 GLU A 121 10.551 -12.689 -1.671 1.00 0.00 O ATOM 0 H GLU A 121 6.558 -11.619 2.056 1.00 0.00 H new ATOM 0 HA GLU A 121 9.136 -12.717 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.708 -10.932 0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.458 -10.833 0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 121 8.225 -13.555 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.100 -12.508 -1.054 1.00 0.00 H new ATOM 1854 N ILE A 122 8.804 -9.554 3.417 1.00 0.00 N ATOM 1855 CA ILE A 122 9.454 -8.623 4.353 1.00 0.00 C ATOM 1856 C ILE A 122 9.884 -9.387 5.623 1.00 0.00 C ATOM 1857 O ILE A 122 10.927 -9.089 6.203 1.00 0.00 O ATOM 1858 CB ILE A 122 8.569 -7.381 4.668 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.222 -6.552 3.418 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.201 -6.508 5.771 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.251 -5.390 3.679 1.00 0.00 C ATOM 0 H ILE A 122 7.864 -9.277 3.134 1.00 0.00 H new ATOM 0 HA ILE A 122 10.348 -8.219 3.877 1.00 0.00 H new ATOM 0 HB ILE A 122 7.622 -7.767 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.143 -6.152 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.787 -7.212 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.559 -5.649 5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.310 -7.096 6.682 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.181 -6.161 5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.060 -4.859 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.313 -5.781 4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.690 -4.705 4.404 1.00 0.00 H new ATOM 1873 N HIS A 123 9.140 -10.413 6.046 1.00 0.00 N ATOM 1874 CA HIS A 123 9.502 -11.310 7.150 1.00 0.00 C ATOM 1875 C HIS A 123 10.503 -12.406 6.744 1.00 0.00 C ATOM 1876 O HIS A 123 10.814 -13.299 7.539 1.00 0.00 O ATOM 1877 CB HIS A 123 8.229 -11.943 7.711 1.00 0.00 C ATOM 1878 CG HIS A 123 8.275 -12.122 9.203 1.00 0.00 C ATOM 1879 ND1 HIS A 123 9.023 -13.055 9.878 1.00 0.00 N ATOM 1880 CD2 HIS A 123 7.636 -11.353 10.131 1.00 0.00 C ATOM 1881 CE1 HIS A 123 8.824 -12.866 11.190 1.00 0.00 C ATOM 1882 NE2 HIS A 123 7.989 -11.830 11.402 1.00 0.00 N ATOM 0 H HIS A 123 8.245 -10.650 5.619 1.00 0.00 H new ATOM 0 HA HIS A 123 10.003 -10.708 7.908 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.374 -11.319 7.451 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.072 -12.912 7.238 1.00 0.00 H new ATOM 0 HD1 HIS A 123 9.622 -13.765 9.457 1.00 0.00 H new ATOM 0 HD2 HIS A 123 6.976 -10.524 9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 123 9.272 -13.463 11.971 1.00 0.00 H new ATOM 1890 N LYS A 124 10.969 -12.375 5.499 1.00 0.00 N ATOM 1891 CA LYS A 124 12.173 -13.063 5.035 1.00 0.00 C ATOM 1892 C LYS A 124 13.355 -12.100 4.902 1.00 0.00 C ATOM 1893 O LYS A 124 14.495 -12.567 4.928 1.00 0.00 O ATOM 1894 CB LYS A 124 11.929 -13.804 3.712 1.00 0.00 C ATOM 1895 CG LYS A 124 10.965 -14.992 3.848 1.00 0.00 C ATOM 1896 CD LYS A 124 10.845 -15.759 2.522 1.00 0.00 C ATOM 1897 CE LYS A 124 10.976 -17.278 2.654 1.00 0.00 C ATOM 1898 NZ LYS A 124 12.389 -17.704 2.765 1.00 0.00 N ATOM 0 H LYS A 124 10.503 -11.852 4.758 1.00 0.00 H new ATOM 0 HA LYS A 124 12.425 -13.805 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.529 -13.103 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.882 -14.162 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.318 -15.664 4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.982 -14.634 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.881 -15.528 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.613 -15.399 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.426 -17.615 3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.519 -17.758 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.434 -18.739 2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.909 -17.406 1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.818 -17.267 3.605 1.00 0.00 H new ATOM 1912 N LEU A 125 13.141 -10.785 4.763 1.00 0.00 N ATOM 1913 CA LEU A 125 14.239 -9.820 4.826 1.00 0.00 C ATOM 1914 C LEU A 125 14.793 -9.802 6.250 1.00 0.00 C ATOM 1915 O LEU A 125 14.092 -10.084 7.223 1.00 0.00 O ATOM 1916 CB LEU A 125 13.814 -8.390 4.431 1.00 0.00 C ATOM 1917 CG LEU A 125 13.442 -8.180 2.949 1.00 0.00 C ATOM 1918 CD1 LEU A 125 12.789 -6.810 2.757 1.00 0.00 C ATOM 1919 CD2 LEU A 125 14.695 -8.254 2.071 1.00 0.00 C ATOM 0 H LEU A 125 12.222 -10.370 4.607 1.00 0.00 H new ATOM 0 HA LEU A 125 14.993 -10.137 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.959 -8.104 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.627 -7.709 4.681 1.00 0.00 H new ATOM 0 HG LEU A 125 12.744 -8.965 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.531 -6.674 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.885 -6.750 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.485 -6.029 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.418 -8.104 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.398 -7.478 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.162 -9.232 2.185 1.00 0.00 H new ATOM 1931 N ASN A 126 16.052 -9.393 6.364 1.00 0.00 N ATOM 1932 CA ASN A 126 16.746 -9.154 7.629 1.00 0.00 C ATOM 1933 C ASN A 126 16.628 -7.689 8.061 1.00 0.00 C ATOM 1934 O ASN A 126 16.888 -7.342 9.214 1.00 0.00 O ATOM 1935 CB ASN A 126 18.211 -9.614 7.515 1.00 0.00 C ATOM 1936 CG ASN A 126 19.026 -9.244 8.749 1.00 0.00 C ATOM 1937 OD1 ASN A 126 18.630 -9.512 9.875 1.00 0.00 O ATOM 1938 ND2 ASN A 126 20.168 -8.595 8.569 1.00 0.00 N ATOM 0 H ASN A 126 16.640 -9.212 5.551 1.00 0.00 H new ATOM 0 HA ASN A 126 16.269 -9.743 8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.241 -10.694 7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 126 18.665 -9.163 6.633 1.00 0.00 H new ATOM 0 HD21 ASN A 126 20.727 -8.313 9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 126 20.488 -8.377 7.625 1.00 0.00 H new ATOM 1945 N TRP A 127 16.153 -6.814 7.180 1.00 0.00 N ATOM 1946 CA TRP A 127 15.786 -5.446 7.536 1.00 0.00 C ATOM 1947 C TRP A 127 14.264 -5.340 7.688 1.00 0.00 C ATOM 1948 O TRP A 127 13.576 -6.365 7.793 1.00 0.00 O ATOM 1949 CB TRP A 127 16.436 -4.455 6.569 1.00 0.00 C ATOM 1950 CG TRP A 127 15.981 -4.472 5.149 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.300 -5.389 4.209 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.204 -3.456 4.465 1.00 0.00 C ATOM 1953 NE1 TRP A 127 15.788 -5.003 2.988 1.00 0.00 N ATOM 1954 CE2 TRP A 127 15.074 -3.828 3.098 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.638 -2.231 4.868 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.384 -3.030 2.180 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 14.012 -1.388 3.940 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.889 -1.782 2.598 1.00 0.00 C ATOM 0 H TRP A 127 16.011 -7.034 6.194 1.00 0.00 H new ATOM 0 HA TRP A 127 16.184 -5.170 8.513 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.276 -3.450 6.960 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.511 -4.633 6.579 1.00 0.00 H new ATOM 0 HD1 TRP A 127 16.870 -6.289 4.387 1.00 0.00 H new ATOM 0 HE1 TRP A 127 15.920 -5.519 2.118 1.00 0.00 H new ATOM 0 HE3 TRP A 127 14.687 -1.937 5.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.234 -3.367 1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.623 -0.432 4.258 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.413 -1.125 1.885 1.00 0.00 H new ATOM 1969 N ALA A 128 13.743 -4.121 7.825 1.00 0.00 N ATOM 1970 CA ALA A 128 12.316 -3.835 7.916 1.00 0.00 C ATOM 1971 C ALA A 128 12.064 -2.456 7.293 1.00 0.00 C ATOM 1972 O ALA A 128 12.554 -1.473 7.848 1.00 0.00 O ATOM 1973 CB ALA A 128 11.868 -3.854 9.381 1.00 0.00 C ATOM 0 H ALA A 128 14.321 -3.282 7.877 1.00 0.00 H new ATOM 0 HA ALA A 128 11.743 -4.593 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.801 -3.639 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.064 -4.837 9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.420 -3.099 9.940 1.00 0.00 H new ATOM 1979 N PRO A 129 11.358 -2.347 6.155 1.00 0.00 N ATOM 1980 CA PRO A 129 10.912 -1.066 5.616 1.00 0.00 C ATOM 1981 C PRO A 129 9.938 -0.398 6.590 1.00 0.00 C ATOM 1982 O PRO A 129 9.179 -1.083 7.291 1.00 0.00 O ATOM 1983 CB PRO A 129 10.220 -1.376 4.281 1.00 0.00 C ATOM 1984 CG PRO A 129 10.535 -2.845 4.006 1.00 0.00 C ATOM 1985 CD PRO A 129 10.814 -3.437 5.375 1.00 0.00 C ATOM 0 HA PRO A 129 11.746 -0.379 5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.145 -1.208 4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.596 -0.735 3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.698 -3.346 3.520 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.396 -2.949 3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 129 9.903 -3.829 5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.520 -4.265 5.310 1.00 0.00 H new ATOM 1993 N SER A 130 9.895 0.937 6.577 1.00 0.00 N ATOM 1994 CA SER A 130 8.807 1.687 7.191 1.00 0.00 C ATOM 1995 C SER A 130 7.504 1.252 6.521 1.00 0.00 C ATOM 1996 O SER A 130 7.515 0.898 5.338 1.00 0.00 O ATOM 1997 CB SER A 130 9.004 3.194 6.980 1.00 0.00 C ATOM 1998 OG SER A 130 10.354 3.591 7.152 1.00 0.00 O ATOM 0 H SER A 130 10.610 1.521 6.143 1.00 0.00 H new ATOM 0 HA SER A 130 8.783 1.491 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.673 3.464 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.375 3.742 7.681 1.00 0.00 H new ATOM 0 HG SER A 130 10.384 4.514 7.480 1.00 0.00 H new ATOM 2004 N MET A 131 6.378 1.346 7.224 1.00 0.00 N ATOM 2005 CA MET A 131 5.081 1.057 6.633 1.00 0.00 C ATOM 2006 C MET A 131 4.807 1.980 5.462 1.00 0.00 C ATOM 2007 O MET A 131 4.333 1.525 4.428 1.00 0.00 O ATOM 2008 CB MET A 131 3.988 1.278 7.664 1.00 0.00 C ATOM 2009 CG MET A 131 4.015 0.214 8.757 1.00 0.00 C ATOM 2010 SD MET A 131 4.380 0.852 10.410 1.00 0.00 S ATOM 2011 CE MET A 131 2.926 1.927 10.528 1.00 0.00 C ATOM 0 H MET A 131 6.341 1.621 8.206 1.00 0.00 H new ATOM 0 HA MET A 131 5.090 0.021 6.293 1.00 0.00 H new ATOM 0 HB2 MET A 131 4.107 2.264 8.114 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.016 1.268 7.171 1.00 0.00 H new ATOM 0 HG2 MET A 131 3.049 -0.290 8.780 1.00 0.00 H new ATOM 0 HG3 MET A 131 4.761 -0.537 8.498 1.00 0.00 H new ATOM 0 HE1 MET A 131 2.677 2.088 11.577 1.00 0.00 H new ATOM 0 HE2 MET A 131 3.143 2.885 10.055 1.00 0.00 H new ATOM 0 HE3 MET A 131 2.083 1.456 10.023 1.00 0.00 H new ATOM 2021 N ASP A 132 5.117 3.264 5.634 1.00 0.00 N ATOM 2022 CA ASP A 132 4.937 4.289 4.617 1.00 0.00 C ATOM 2023 C ASP A 132 5.568 3.817 3.317 1.00 0.00 C ATOM 2024 O ASP A 132 4.901 3.776 2.292 1.00 0.00 O ATOM 2025 CB ASP A 132 5.555 5.617 5.060 1.00 0.00 C ATOM 2026 CG ASP A 132 4.919 6.161 6.337 1.00 0.00 C ATOM 2027 OD1 ASP A 132 3.670 6.246 6.397 1.00 0.00 O ATOM 2028 OD2 ASP A 132 5.677 6.338 7.325 1.00 0.00 O ATOM 0 H ASP A 132 5.508 3.624 6.504 1.00 0.00 H new ATOM 0 HA ASP A 132 3.870 4.455 4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.625 5.481 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 132 5.443 6.350 4.261 1.00 0.00 H new ATOM 2033 N VAL A 133 6.835 3.395 3.375 1.00 0.00 N ATOM 2034 CA VAL A 133 7.562 2.852 2.239 1.00 0.00 C ATOM 2035 C VAL A 133 6.884 1.568 1.766 1.00 0.00 C ATOM 2036 O VAL A 133 6.415 1.550 0.639 1.00 0.00 O ATOM 2037 CB VAL A 133 9.058 2.693 2.576 1.00 0.00 C ATOM 2038 CG1 VAL A 133 9.896 2.148 1.413 1.00 0.00 C ATOM 2039 CG2 VAL A 133 9.645 4.054 2.956 1.00 0.00 C ATOM 0 H VAL A 133 7.388 3.425 4.232 1.00 0.00 H new ATOM 0 HA VAL A 133 7.530 3.546 1.399 1.00 0.00 H new ATOM 0 HB VAL A 133 9.103 1.976 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 133 10.937 2.063 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.522 1.166 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 133 9.825 2.827 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 133 10.703 3.940 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 133 9.533 4.745 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.118 4.448 3.825 1.00 0.00 H new ATOM 2049 N ALA A 134 6.765 0.531 2.605 1.00 0.00 N ATOM 2050 CA ALA A 134 6.254 -0.773 2.179 1.00 0.00 C ATOM 2051 C ALA A 134 4.915 -0.640 1.458 1.00 0.00 C ATOM 2052 O ALA A 134 4.771 -1.099 0.331 1.00 0.00 O ATOM 2053 CB ALA A 134 6.115 -1.731 3.365 1.00 0.00 C ATOM 0 H ALA A 134 7.019 0.574 3.592 1.00 0.00 H new ATOM 0 HA ALA A 134 6.982 -1.187 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 134 5.733 -2.690 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.089 -1.876 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.423 -1.309 4.094 1.00 0.00 H new ATOM 2059 N VAL A 135 3.921 -0.028 2.098 1.00 0.00 N ATOM 2060 CA VAL A 135 2.611 0.125 1.488 1.00 0.00 C ATOM 2061 C VAL A 135 2.673 1.141 0.334 1.00 0.00 C ATOM 2062 O VAL A 135 1.949 0.969 -0.640 1.00 0.00 O ATOM 2063 CB VAL A 135 1.544 0.475 2.550 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.142 0.224 1.969 1.00 0.00 C ATOM 2065 CG2 VAL A 135 1.644 -0.360 3.847 1.00 0.00 C ATOM 0 H VAL A 135 4.001 0.367 3.035 1.00 0.00 H new ATOM 0 HA VAL A 135 2.305 -0.827 1.053 1.00 0.00 H new ATOM 0 HB VAL A 135 1.720 1.520 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.611 0.470 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.004 0.849 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.046 -0.825 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 135 0.860 -0.052 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.524 -1.417 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 135 2.619 -0.200 4.308 1.00 0.00 H new ATOM 2075 N GLY A 136 3.527 2.161 0.411 1.00 0.00 N ATOM 2076 CA GLY A 136 3.741 3.161 -0.622 1.00 0.00 C ATOM 2077 C GLY A 136 4.181 2.523 -1.937 1.00 0.00 C ATOM 2078 O GLY A 136 3.546 2.728 -2.970 1.00 0.00 O ATOM 0 H GLY A 136 4.111 2.315 1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 136 2.822 3.725 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.498 3.872 -0.290 1.00 0.00 H new ATOM 2082 N GLU A 137 5.262 1.749 -1.920 1.00 0.00 N ATOM 2083 CA GLU A 137 5.905 1.268 -3.133 1.00 0.00 C ATOM 2084 C GLU A 137 4.994 0.266 -3.839 1.00 0.00 C ATOM 2085 O GLU A 137 4.751 0.423 -5.030 1.00 0.00 O ATOM 2086 CB GLU A 137 7.278 0.663 -2.826 1.00 0.00 C ATOM 2087 CG GLU A 137 8.256 1.668 -2.169 1.00 0.00 C ATOM 2088 CD GLU A 137 9.730 1.249 -2.170 1.00 0.00 C ATOM 2089 OE1 GLU A 137 10.100 0.405 -1.318 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.520 1.850 -2.927 1.00 0.00 O ATOM 0 H GLU A 137 5.716 1.438 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 137 6.071 2.112 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.150 -0.194 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.718 0.290 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.168 2.624 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 137 7.943 1.832 -1.138 1.00 0.00 H new ATOM 2097 N ILE A 138 4.393 -0.691 -3.115 1.00 0.00 N ATOM 2098 CA ILE A 138 3.570 -1.702 -3.789 1.00 0.00 C ATOM 2099 C ILE A 138 2.360 -1.062 -4.495 1.00 0.00 C ATOM 2100 O ILE A 138 1.847 -1.609 -5.467 1.00 0.00 O ATOM 2101 CB ILE A 138 3.176 -2.851 -2.825 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.387 -3.970 -3.551 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.368 -2.323 -1.625 1.00 0.00 C ATOM 2104 CD1 ILE A 138 2.216 -5.307 -2.801 1.00 0.00 C ATOM 0 H ILE A 138 4.457 -0.785 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 138 4.173 -2.160 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 138 4.106 -3.282 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.395 -3.586 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.885 -4.175 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.107 -3.153 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.967 -1.598 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.457 -1.843 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.646 -6.001 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 138 3.197 -5.732 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.684 -5.134 -1.866 1.00 0.00 H new ATOM 2116 N LEU A 139 1.869 0.089 -4.027 1.00 0.00 N ATOM 2117 CA LEU A 139 0.830 0.853 -4.709 1.00 0.00 C ATOM 2118 C LEU A 139 1.367 1.616 -5.908 1.00 0.00 C ATOM 2119 O LEU A 139 0.680 1.751 -6.908 1.00 0.00 O ATOM 2120 CB LEU A 139 0.273 1.899 -3.762 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.540 1.343 -2.587 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.940 2.489 -1.661 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.784 0.597 -3.049 1.00 0.00 C ATOM 0 H LEU A 139 2.186 0.517 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 139 0.078 0.134 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.101 2.486 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.358 2.582 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 139 0.089 0.629 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.518 2.096 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.044 2.981 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.544 3.209 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.327 0.222 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.425 1.274 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.492 -0.240 -3.684 1.00 0.00 H new ATOM 2135 N ALA A 140 2.574 2.152 -5.824 1.00 0.00 N ATOM 2136 CA ALA A 140 3.271 2.651 -7.007 1.00 0.00 C ATOM 2137 C ALA A 140 3.400 1.605 -8.128 1.00 0.00 C ATOM 2138 O ALA A 140 3.792 1.983 -9.234 1.00 0.00 O ATOM 2139 CB ALA A 140 4.629 3.253 -6.640 1.00 0.00 C ATOM 0 H ALA A 140 3.094 2.254 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 140 2.645 3.446 -7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.122 3.615 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.484 4.082 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.249 2.491 -6.168 1.00 0.00 H new ATOM 2145 N GLU A 141 3.066 0.337 -7.883 1.00 0.00 N ATOM 2146 CA GLU A 141 3.258 -0.773 -8.787 1.00 0.00 C ATOM 2147 C GLU A 141 1.916 -1.399 -9.189 1.00 0.00 C ATOM 2148 O GLU A 141 1.511 -1.274 -10.348 1.00 0.00 O ATOM 2149 CB GLU A 141 4.206 -1.760 -8.090 1.00 0.00 C ATOM 2150 CG GLU A 141 5.607 -1.145 -8.007 1.00 0.00 C ATOM 2151 CD GLU A 141 6.611 -1.981 -7.230 1.00 0.00 C ATOM 2152 OE1 GLU A 141 6.492 -2.109 -5.992 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.575 -2.397 -7.904 1.00 0.00 O ATOM 0 H GLU A 141 2.634 0.054 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 141 3.706 -0.449 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 141 3.838 -1.991 -7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.241 -2.699 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.984 -0.992 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.533 -0.162 -7.542 1.00 0.00 H new ATOM 2160 N VAL A 142 1.251 -2.074 -8.245 1.00 0.00 N ATOM 2161 CA VAL A 142 0.198 -3.066 -8.457 1.00 0.00 C ATOM 2162 C VAL A 142 -0.973 -2.529 -9.288 1.00 0.00 C ATOM 2163 O VAL A 142 -1.481 -3.284 -10.145 1.00 0.00 O ATOM 2164 CB VAL A 142 -0.202 -3.657 -7.085 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.636 -4.184 -7.020 1.00 0.00 C ATOM 2166 CG2 VAL A 142 0.777 -4.775 -6.700 1.00 0.00 C ATOM 0 H VAL A 142 1.447 -1.932 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 142 0.579 -3.880 -9.074 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.153 -2.831 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.833 -4.580 -6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.332 -3.372 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.766 -4.976 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.493 -5.190 -5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.747 -5.561 -7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.787 -4.369 -6.638 1.00 0.00 H new