USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 652 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 102 ASN : amide:sc= 0.899 K(o=4.7,f=1.7) USER MOD Set 1.2: A 104 SER OG : rot -90:sc= 2.33 USER MOD Set 1.3: A 108 SER OG : rot -131:sc= 1.52 USER MOD Set 2.1: A 22 THR OG1 : rot 113:sc= 0.518 USER MOD Set 2.2: A 53 THR OG1 : rot -179:sc= 1.22 USER MOD Set 2.3: A 109 ASN : amide:sc= 2.38 K(o=4.1,f=-1.5) USER MOD Single : A 20 THR OG1 : rot -46:sc= 1.24 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 26 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.021) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= 0.163 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.153! C(o=0.15!,f=-5.6!) USER MOD Single : A 52 SER OG : rot 140:sc= -0.343 USER MOD Single : A 54 ASN : amide:sc= 0.0963 K(o=0.096,f=-6!) USER MOD Single : A 56 ASN : amide:sc= -0.811 K(o=-0.81,f=-1.6) USER MOD Single : A 59 MET CE :methyl -156:sc= -2.32 (180deg=-3.67!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.651! C(o=-0.65!,f=-4.5!) USER MOD Single : A 70 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.098) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.4!) USER MOD Single : A 82 LYS NZ :NH3+ 136:sc= 1.29 (180deg=1.05) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 146:sc= -1.34! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.173 USER MOD Single : A 95 SER OG : rot 180:sc= 0.052 USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= 1.6! (180deg=-0.478) USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= 2.38 (180deg=2.16) USER MOD Single : A 103 ASN : amide:sc= -0.648! K(o=-0.65!,f=-0.0082) USER MOD Single : A 105 SER OG : rot 180:sc= 0.0919 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0137 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -4.916 -8.704 0.714 1.00 0.00 N ATOM 92 CA ALA A 19 -4.001 -9.099 -0.337 1.00 0.00 C ATOM 93 C ALA A 19 -2.563 -8.867 0.094 1.00 0.00 C ATOM 94 O ALA A 19 -2.180 -7.752 0.453 1.00 0.00 O ATOM 95 CB ALA A 19 -4.305 -8.334 -1.616 1.00 0.00 C ATOM 0 HA ALA A 19 -4.133 -10.164 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.610 -8.641 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.325 -8.548 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.198 -7.265 -1.434 1.00 0.00 H new ATOM 101 N THR A 20 -1.779 -9.928 0.077 1.00 0.00 N ATOM 102 CA THR A 20 -0.378 -9.849 0.431 1.00 0.00 C ATOM 103 C THR A 20 0.466 -9.525 -0.795 1.00 0.00 C ATOM 104 O THR A 20 0.756 -10.396 -1.616 1.00 0.00 O ATOM 105 CB THR A 20 0.097 -11.170 1.053 1.00 0.00 C ATOM 106 OG1 THR A 20 -0.918 -11.674 1.934 1.00 0.00 O ATOM 107 CG2 THR A 20 1.401 -10.978 1.817 1.00 0.00 C ATOM 0 H THR A 20 -2.095 -10.863 -0.181 1.00 0.00 H new ATOM 0 HA THR A 20 -0.259 -9.051 1.164 1.00 0.00 H new ATOM 0 HB THR A 20 0.278 -11.887 0.252 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.251 -10.946 2.500 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.714 -11.929 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.172 -10.616 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.251 -10.251 2.615 1.00 0.00 H new ATOM 115 N TYR A 21 0.845 -8.265 -0.916 1.00 0.00 N ATOM 116 CA TYR A 21 1.665 -7.817 -2.027 1.00 0.00 C ATOM 117 C TYR A 21 3.123 -8.184 -1.794 1.00 0.00 C ATOM 118 O TYR A 21 3.886 -7.405 -1.223 1.00 0.00 O ATOM 119 CB TYR A 21 1.531 -6.307 -2.218 1.00 0.00 C ATOM 120 CG TYR A 21 0.165 -5.874 -2.703 1.00 0.00 C ATOM 121 CD1 TYR A 21 -0.164 -5.930 -4.052 1.00 0.00 C ATOM 122 CD2 TYR A 21 -0.792 -5.404 -1.813 1.00 0.00 C ATOM 123 CE1 TYR A 21 -1.409 -5.532 -4.499 1.00 0.00 C ATOM 124 CE2 TYR A 21 -2.041 -5.005 -2.253 1.00 0.00 C ATOM 125 CZ TYR A 21 -2.341 -5.070 -3.596 1.00 0.00 C ATOM 126 OH TYR A 21 -3.581 -4.673 -4.038 1.00 0.00 O ATOM 0 H TYR A 21 0.596 -7.530 -0.254 1.00 0.00 H new ATOM 0 HA TYR A 21 1.317 -8.317 -2.931 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.745 -5.810 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.283 -5.972 -2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.565 -6.290 -4.762 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.557 -5.349 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.650 -5.583 -5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.776 -4.645 -1.549 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.120 -4.375 -3.276 1.00 0.00 H new ATOM 136 N THR A 22 3.493 -9.384 -2.207 1.00 0.00 N ATOM 137 CA THR A 22 4.868 -9.829 -2.108 1.00 0.00 C ATOM 138 C THR A 22 5.586 -9.602 -3.436 1.00 0.00 C ATOM 139 O THR A 22 5.284 -10.243 -4.442 1.00 0.00 O ATOM 140 CB THR A 22 4.964 -11.318 -1.686 1.00 0.00 C ATOM 141 OG1 THR A 22 6.303 -11.803 -1.862 1.00 0.00 O ATOM 142 CG2 THR A 22 3.991 -12.185 -2.477 1.00 0.00 C ATOM 0 H THR A 22 2.856 -10.068 -2.615 1.00 0.00 H new ATOM 0 HA THR A 22 5.355 -9.240 -1.330 1.00 0.00 H new ATOM 0 HB THR A 22 4.695 -11.380 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.698 -11.999 -0.987 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.085 -13.222 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.972 -11.841 -2.301 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.220 -12.112 -3.540 1.00 0.00 H new ATOM 150 N GLY A 23 6.516 -8.660 -3.437 1.00 0.00 N ATOM 151 CA GLY A 23 7.227 -8.331 -4.653 1.00 0.00 C ATOM 152 C GLY A 23 8.647 -7.888 -4.383 1.00 0.00 C ATOM 153 O GLY A 23 9.080 -7.842 -3.227 1.00 0.00 O ATOM 0 H GLY A 23 6.791 -8.118 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.238 -9.200 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.695 -7.539 -5.180 1.00 0.00 H new ATOM 157 N THR A 24 9.366 -7.561 -5.441 1.00 0.00 N ATOM 158 CA THR A 24 10.747 -7.132 -5.331 1.00 0.00 C ATOM 159 C THR A 24 10.862 -5.624 -5.519 1.00 0.00 C ATOM 160 O THR A 24 10.423 -5.079 -6.535 1.00 0.00 O ATOM 161 CB THR A 24 11.617 -7.840 -6.382 1.00 0.00 C ATOM 162 OG1 THR A 24 10.773 -8.564 -7.294 1.00 0.00 O ATOM 163 CG2 THR A 24 12.599 -8.794 -5.716 1.00 0.00 C ATOM 0 H THR A 24 9.011 -7.585 -6.397 1.00 0.00 H new ATOM 0 HA THR A 24 11.098 -7.395 -4.333 1.00 0.00 H new ATOM 0 HB THR A 24 12.187 -7.089 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.327 -9.014 -7.965 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.204 -9.284 -6.479 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.248 -8.236 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.049 -9.546 -5.151 1.00 0.00 H new ATOM 171 N ILE A 25 11.438 -4.952 -4.537 1.00 0.00 N ATOM 172 CA ILE A 25 11.643 -3.515 -4.617 1.00 0.00 C ATOM 173 C ILE A 25 13.110 -3.210 -4.907 1.00 0.00 C ATOM 174 O ILE A 25 14.002 -3.963 -4.501 1.00 0.00 O ATOM 175 CB ILE A 25 11.186 -2.804 -3.320 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.246 -1.281 -3.482 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.025 -3.253 -2.137 1.00 0.00 C ATOM 178 CD1 ILE A 25 10.129 -0.552 -2.768 1.00 0.00 C ATOM 0 H ILE A 25 11.773 -5.379 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 25 11.032 -3.132 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 25 10.150 -3.083 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.203 -0.921 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.209 -1.035 -4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.687 -2.741 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.919 -4.330 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.072 -3.011 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.235 0.521 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.168 -0.883 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.178 -0.768 -1.701 1.00 0.00 H new ATOM 190 N GLN A 26 13.354 -2.117 -5.618 1.00 0.00 N ATOM 191 CA GLN A 26 14.698 -1.774 -6.058 1.00 0.00 C ATOM 192 C GLN A 26 15.490 -1.137 -4.926 1.00 0.00 C ATOM 193 O GLN A 26 14.919 -0.480 -4.050 1.00 0.00 O ATOM 194 CB GLN A 26 14.633 -0.829 -7.257 1.00 0.00 C ATOM 195 CG GLN A 26 13.671 -1.287 -8.344 1.00 0.00 C ATOM 196 CD GLN A 26 13.885 -2.734 -8.753 1.00 0.00 C ATOM 197 OE1 GLN A 26 14.994 -3.137 -9.105 1.00 0.00 O ATOM 198 NE2 GLN A 26 12.823 -3.523 -8.721 1.00 0.00 N ATOM 0 H GLN A 26 12.635 -1.451 -5.903 1.00 0.00 H new ATOM 0 HA GLN A 26 15.207 -2.690 -6.357 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.334 0.161 -6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.631 -0.730 -7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.647 -1.162 -7.992 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.788 -0.647 -9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.921 -3.152 -8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.907 -4.502 -8.994 1.00 0.00 H new ATOM 207 N GLY A 27 16.802 -1.329 -4.956 1.00 0.00 N ATOM 208 CA GLY A 27 17.658 -0.829 -3.901 1.00 0.00 C ATOM 209 C GLY A 27 17.760 0.683 -3.893 1.00 0.00 C ATOM 210 O GLY A 27 18.010 1.299 -4.935 1.00 0.00 O ATOM 0 H GLY A 27 17.291 -1.827 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.276 -1.168 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.655 -1.255 -4.016 1.00 0.00 H new ATOM 214 N LYS A 28 17.570 1.269 -2.712 1.00 0.00 N ATOM 215 CA LYS A 28 17.635 2.716 -2.517 1.00 0.00 C ATOM 216 C LYS A 28 16.751 3.454 -3.518 1.00 0.00 C ATOM 217 O LYS A 28 17.228 4.267 -4.315 1.00 0.00 O ATOM 218 CB LYS A 28 19.081 3.206 -2.617 1.00 0.00 C ATOM 219 CG LYS A 28 19.395 4.357 -1.675 1.00 0.00 C ATOM 220 CD LYS A 28 20.464 3.977 -0.666 1.00 0.00 C ATOM 221 CE LYS A 28 21.597 4.990 -0.653 1.00 0.00 C ATOM 222 NZ LYS A 28 22.921 4.342 -0.472 1.00 0.00 N ATOM 0 H LYS A 28 17.365 0.750 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 28 17.259 2.934 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.754 2.376 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.280 3.520 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.728 5.220 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.488 4.656 -1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.022 3.910 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.859 2.990 -0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.593 5.551 -1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.432 5.708 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.665 5.068 -0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.935 3.828 0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 23.091 3.675 -1.252 1.00 0.00 H new ATOM 236 N GLY A 29 15.462 3.165 -3.473 1.00 0.00 N ATOM 237 CA GLY A 29 14.528 3.795 -4.378 1.00 0.00 C ATOM 238 C GLY A 29 13.123 3.788 -3.826 1.00 0.00 C ATOM 239 O GLY A 29 12.902 3.358 -2.697 1.00 0.00 O ATOM 0 H GLY A 29 15.044 2.501 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.840 4.822 -4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.545 3.277 -5.337 1.00 0.00 H new ATOM 243 N GLU A 30 12.173 4.251 -4.617 1.00 0.00 N ATOM 244 CA GLU A 30 10.788 4.325 -4.182 1.00 0.00 C ATOM 245 C GLU A 30 9.872 3.954 -5.334 1.00 0.00 C ATOM 246 O GLU A 30 10.139 4.305 -6.483 1.00 0.00 O ATOM 247 CB GLU A 30 10.443 5.729 -3.664 1.00 0.00 C ATOM 248 CG GLU A 30 11.553 6.755 -3.846 1.00 0.00 C ATOM 249 CD GLU A 30 11.453 7.899 -2.858 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.687 8.851 -3.118 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.127 7.852 -1.811 1.00 0.00 O ATOM 0 H GLU A 30 12.335 4.583 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 30 10.646 3.621 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.549 6.083 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.196 5.662 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.519 6.264 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.514 7.151 -4.861 1.00 0.00 H new ATOM 258 N VAL A 31 8.816 3.220 -5.034 1.00 0.00 N ATOM 259 CA VAL A 31 7.861 2.817 -6.055 1.00 0.00 C ATOM 260 C VAL A 31 6.442 3.184 -5.632 1.00 0.00 C ATOM 261 O VAL A 31 6.173 3.427 -4.450 1.00 0.00 O ATOM 262 CB VAL A 31 7.930 1.300 -6.360 1.00 0.00 C ATOM 263 CG1 VAL A 31 9.334 0.890 -6.780 1.00 0.00 C ATOM 264 CG2 VAL A 31 7.467 0.479 -5.163 1.00 0.00 C ATOM 0 H VAL A 31 8.597 2.890 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 31 8.128 3.354 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 31 7.254 1.099 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.354 -0.180 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.621 1.439 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.035 1.116 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.526 -0.582 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.107 0.692 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.437 0.739 -4.920 1.00 0.00 H new ATOM 274 N CYS A 32 5.541 3.218 -6.600 1.00 0.00 N ATOM 275 CA CYS A 32 4.180 3.662 -6.368 1.00 0.00 C ATOM 276 C CYS A 32 3.190 2.505 -6.444 1.00 0.00 C ATOM 277 O CYS A 32 2.990 1.919 -7.508 1.00 0.00 O ATOM 278 CB CYS A 32 3.805 4.719 -7.406 1.00 0.00 C ATOM 279 SG CYS A 32 4.914 4.758 -8.850 1.00 0.00 S ATOM 0 H CYS A 32 5.732 2.940 -7.563 1.00 0.00 H new ATOM 0 HA CYS A 32 4.131 4.084 -5.364 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.786 4.534 -7.747 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.809 5.700 -6.930 1.00 0.00 H new ATOM 0 HG CYS A 32 4.519 5.681 -9.676 1.00 0.00 H new ATOM 284 N ILE A 33 2.581 2.169 -5.317 1.00 0.00 N ATOM 285 CA ILE A 33 1.486 1.216 -5.312 1.00 0.00 C ATOM 286 C ILE A 33 0.163 1.970 -5.328 1.00 0.00 C ATOM 287 O ILE A 33 -0.300 2.461 -4.297 1.00 0.00 O ATOM 288 CB ILE A 33 1.529 0.277 -4.086 1.00 0.00 C ATOM 289 CG1 ILE A 33 2.901 -0.401 -3.975 1.00 0.00 C ATOM 290 CG2 ILE A 33 0.416 -0.762 -4.170 1.00 0.00 C ATOM 291 CD1 ILE A 33 3.162 -1.444 -5.046 1.00 0.00 C ATOM 0 H ILE A 33 2.826 2.541 -4.399 1.00 0.00 H new ATOM 0 HA ILE A 33 1.585 0.595 -6.202 1.00 0.00 H new ATOM 0 HB ILE A 33 1.371 0.874 -3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.677 0.362 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.984 -0.872 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.461 -1.415 -3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.550 -0.259 -4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.540 -1.356 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.152 -1.877 -4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.409 -2.229 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.113 -0.976 -6.029 1.00 0.00 H new ATOM 476 N LEU A 46 -7.309 1.839 4.291 1.00 0.00 N ATOM 477 CA LEU A 46 -5.916 2.062 4.665 1.00 0.00 C ATOM 478 C LEU A 46 -5.503 1.213 5.864 1.00 0.00 C ATOM 479 O LEU A 46 -5.124 1.736 6.910 1.00 0.00 O ATOM 480 CB LEU A 46 -5.661 3.543 4.963 1.00 0.00 C ATOM 481 CG LEU A 46 -6.305 4.530 3.989 1.00 0.00 C ATOM 482 CD1 LEU A 46 -6.407 5.908 4.624 1.00 0.00 C ATOM 483 CD2 LEU A 46 -5.512 4.595 2.693 1.00 0.00 C ATOM 0 HA LEU A 46 -5.307 1.759 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.024 3.761 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.585 3.715 4.969 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.311 4.181 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.867 6.600 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.017 5.849 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.410 6.264 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.985 5.302 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.494 4.921 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.488 3.608 2.231 1.00 0.00 H new ATOM 495 N TYR A 47 -5.599 -0.095 5.710 1.00 0.00 N ATOM 496 CA TYR A 47 -5.038 -1.016 6.679 1.00 0.00 C ATOM 497 C TYR A 47 -4.025 -1.898 5.977 1.00 0.00 C ATOM 498 O TYR A 47 -4.389 -2.817 5.238 1.00 0.00 O ATOM 499 CB TYR A 47 -6.112 -1.882 7.350 1.00 0.00 C ATOM 500 CG TYR A 47 -5.534 -2.863 8.357 1.00 0.00 C ATOM 501 CD1 TYR A 47 -5.134 -2.439 9.620 1.00 0.00 C ATOM 502 CD2 TYR A 47 -5.372 -4.209 8.038 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.592 -3.325 10.533 1.00 0.00 C ATOM 504 CE2 TYR A 47 -4.829 -5.100 8.946 1.00 0.00 C ATOM 505 CZ TYR A 47 -4.442 -4.654 10.193 1.00 0.00 C ATOM 506 OH TYR A 47 -3.897 -5.537 11.103 1.00 0.00 O ATOM 0 H TYR A 47 -6.062 -0.544 4.920 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.562 -0.435 7.469 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.832 -1.236 7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.658 -2.434 6.585 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.249 -1.400 9.892 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.676 -4.563 7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.287 -2.978 11.509 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.709 -6.140 8.680 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.862 -6.433 10.708 1.00 0.00 H new ATOM 516 N ALA A 48 -2.760 -1.600 6.189 1.00 0.00 N ATOM 517 CA ALA A 48 -1.692 -2.343 5.556 1.00 0.00 C ATOM 518 C ALA A 48 -0.555 -2.575 6.532 1.00 0.00 C ATOM 519 O ALA A 48 -0.152 -1.666 7.257 1.00 0.00 O ATOM 520 CB ALA A 48 -1.188 -1.604 4.327 1.00 0.00 C ATOM 0 H ALA A 48 -2.446 -0.844 6.798 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.084 -3.311 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.385 -2.176 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.005 -1.482 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.812 -0.624 4.620 1.00 0.00 H new ATOM 526 N VAL A 49 -0.062 -3.794 6.572 1.00 0.00 N ATOM 527 CA VAL A 49 1.113 -4.097 7.361 1.00 0.00 C ATOM 528 C VAL A 49 2.252 -4.498 6.438 1.00 0.00 C ATOM 529 O VAL A 49 2.222 -5.553 5.798 1.00 0.00 O ATOM 530 CB VAL A 49 0.852 -5.194 8.424 1.00 0.00 C ATOM 531 CG1 VAL A 49 0.072 -6.362 7.844 1.00 0.00 C ATOM 532 CG2 VAL A 49 2.161 -5.667 9.049 1.00 0.00 C ATOM 0 H VAL A 49 -0.455 -4.590 6.069 1.00 0.00 H new ATOM 0 HA VAL A 49 1.386 -3.197 7.912 1.00 0.00 H new ATOM 0 HB VAL A 49 0.240 -4.751 9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.092 -7.111 8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.890 -6.008 7.472 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.637 -6.806 7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.952 -6.437 9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.807 -6.077 8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.660 -4.825 9.529 1.00 0.00 H new ATOM 542 N LEU A 50 3.235 -3.624 6.334 1.00 0.00 N ATOM 543 CA LEU A 50 4.394 -3.886 5.507 1.00 0.00 C ATOM 544 C LEU A 50 5.324 -4.842 6.227 1.00 0.00 C ATOM 545 O LEU A 50 5.906 -4.497 7.253 1.00 0.00 O ATOM 546 CB LEU A 50 5.114 -2.577 5.173 1.00 0.00 C ATOM 547 CG LEU A 50 6.377 -2.724 4.323 1.00 0.00 C ATOM 548 CD1 LEU A 50 6.039 -3.272 2.947 1.00 0.00 C ATOM 549 CD2 LEU A 50 7.094 -1.391 4.205 1.00 0.00 C ATOM 0 H LEU A 50 3.252 -2.724 6.814 1.00 0.00 H new ATOM 0 HA LEU A 50 4.074 -4.344 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.418 -1.922 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.380 -2.079 6.106 1.00 0.00 H new ATOM 0 HG LEU A 50 7.042 -3.432 4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.952 -3.368 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.569 -4.250 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.353 -2.591 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.991 -1.513 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.433 -0.663 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.374 -1.039 5.198 1.00 0.00 H new ATOM 561 N HIS A 51 5.428 -6.055 5.710 1.00 0.00 N ATOM 562 CA HIS A 51 6.273 -7.074 6.313 1.00 0.00 C ATOM 563 C HIS A 51 7.582 -7.204 5.554 1.00 0.00 C ATOM 564 O HIS A 51 7.645 -6.928 4.352 1.00 0.00 O ATOM 565 CB HIS A 51 5.554 -8.419 6.348 1.00 0.00 C ATOM 566 CG HIS A 51 4.827 -8.669 7.633 1.00 0.00 C ATOM 567 ND1 HIS A 51 5.420 -8.541 8.871 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.546 -9.036 7.870 1.00 0.00 C ATOM 569 CE1 HIS A 51 4.537 -8.821 9.811 1.00 0.00 C ATOM 570 NE2 HIS A 51 3.391 -9.125 9.231 1.00 0.00 N ATOM 0 H HIS A 51 4.936 -6.360 4.870 1.00 0.00 H new ATOM 0 HA HIS A 51 6.491 -6.768 7.336 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.844 -8.465 5.522 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.281 -9.216 6.189 1.00 0.00 H new ATOM 0 HD1 HIS A 51 6.390 -8.272 9.035 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.786 -9.224 7.126 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.721 -8.804 10.875 1.00 0.00 H new ATOM 579 N SER A 52 8.617 -7.636 6.255 1.00 0.00 N ATOM 580 CA SER A 52 9.950 -7.715 5.684 1.00 0.00 C ATOM 581 C SER A 52 10.451 -9.156 5.648 1.00 0.00 C ATOM 582 O SER A 52 10.690 -9.760 6.694 1.00 0.00 O ATOM 583 CB SER A 52 10.903 -6.846 6.507 1.00 0.00 C ATOM 584 OG SER A 52 10.204 -6.169 7.541 1.00 0.00 O ATOM 0 H SER A 52 8.558 -7.939 7.227 1.00 0.00 H new ATOM 0 HA SER A 52 9.912 -7.351 4.657 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.687 -7.468 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.393 -6.120 5.858 1.00 0.00 H new ATOM 0 HG SER A 52 10.746 -6.169 8.357 1.00 0.00 H new ATOM 590 N THR A 53 10.603 -9.706 4.448 1.00 0.00 N ATOM 591 CA THR A 53 11.101 -11.064 4.297 1.00 0.00 C ATOM 592 C THR A 53 12.567 -11.170 4.720 1.00 0.00 C ATOM 593 O THR A 53 12.976 -12.156 5.337 1.00 0.00 O ATOM 594 CB THR A 53 10.954 -11.547 2.844 1.00 0.00 C ATOM 595 OG1 THR A 53 9.639 -11.239 2.361 1.00 0.00 O ATOM 596 CG2 THR A 53 11.202 -13.042 2.740 1.00 0.00 C ATOM 0 H THR A 53 10.389 -9.233 3.570 1.00 0.00 H new ATOM 0 HA THR A 53 10.500 -11.699 4.948 1.00 0.00 H new ATOM 0 HB THR A 53 11.697 -11.033 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.544 -11.563 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.092 -13.358 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.212 -13.268 3.083 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.481 -13.574 3.360 1.00 0.00 H new ATOM 604 N ASN A 54 13.354 -10.155 4.395 1.00 0.00 N ATOM 605 CA ASN A 54 14.769 -10.160 4.731 1.00 0.00 C ATOM 606 C ASN A 54 15.058 -9.169 5.850 1.00 0.00 C ATOM 607 O ASN A 54 14.308 -8.209 6.041 1.00 0.00 O ATOM 608 CB ASN A 54 15.647 -9.867 3.503 1.00 0.00 C ATOM 609 CG ASN A 54 15.232 -8.636 2.708 1.00 0.00 C ATOM 610 OD1 ASN A 54 14.168 -8.054 2.921 1.00 0.00 O ATOM 611 ND2 ASN A 54 16.071 -8.248 1.762 1.00 0.00 N ATOM 0 H ASN A 54 13.038 -9.321 3.901 1.00 0.00 H new ATOM 0 HA ASN A 54 15.020 -11.161 5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 54 16.679 -9.741 3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.627 -10.734 2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.845 -7.442 1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 54 16.944 -8.755 1.615 1.00 0.00 H new ATOM 618 N VAL A 55 16.144 -9.444 6.582 1.00 0.00 N ATOM 619 CA VAL A 55 16.568 -8.675 7.764 1.00 0.00 C ATOM 620 C VAL A 55 16.255 -7.187 7.667 1.00 0.00 C ATOM 621 O VAL A 55 15.263 -6.713 8.223 1.00 0.00 O ATOM 622 CB VAL A 55 18.083 -8.828 8.018 1.00 0.00 C ATOM 623 CG1 VAL A 55 18.335 -9.700 9.238 1.00 0.00 C ATOM 624 CG2 VAL A 55 18.791 -9.390 6.789 1.00 0.00 C ATOM 0 H VAL A 55 16.767 -10.223 6.367 1.00 0.00 H new ATOM 0 HA VAL A 55 15.993 -9.093 8.590 1.00 0.00 H new ATOM 0 HB VAL A 55 18.496 -7.839 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.408 -9.796 9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.875 -9.242 10.114 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.903 -10.687 9.075 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.857 -9.487 6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.377 -10.369 6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.645 -8.716 5.945 1.00 0.00 H new ATOM 634 N ASN A 56 17.100 -6.446 6.969 1.00 0.00 N ATOM 635 CA ASN A 56 16.920 -5.011 6.869 1.00 0.00 C ATOM 636 C ASN A 56 16.375 -4.633 5.498 1.00 0.00 C ATOM 637 O ASN A 56 17.039 -4.001 4.681 1.00 0.00 O ATOM 638 CB ASN A 56 18.218 -4.248 7.218 1.00 0.00 C ATOM 639 CG ASN A 56 19.276 -4.261 6.126 1.00 0.00 C ATOM 640 OD1 ASN A 56 19.740 -5.319 5.694 1.00 0.00 O ATOM 641 ND2 ASN A 56 19.665 -3.076 5.675 1.00 0.00 N ATOM 0 H ASN A 56 17.910 -6.812 6.468 1.00 0.00 H new ATOM 0 HA ASN A 56 16.179 -4.708 7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 56 17.964 -3.213 7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 56 18.645 -4.679 8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 56 20.373 -3.016 4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 56 19.256 -2.225 6.060 1.00 0.00 H new ATOM 648 N ALA A 57 15.143 -5.048 5.244 1.00 0.00 N ATOM 649 CA ALA A 57 14.429 -4.584 4.070 1.00 0.00 C ATOM 650 C ALA A 57 14.418 -3.066 4.075 1.00 0.00 C ATOM 651 O ALA A 57 14.540 -2.431 3.031 1.00 0.00 O ATOM 652 CB ALA A 57 13.011 -5.129 4.047 1.00 0.00 C ATOM 0 H ALA A 57 14.623 -5.700 5.831 1.00 0.00 H new ATOM 0 HA ALA A 57 14.933 -4.945 3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.496 -4.767 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.040 -6.218 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.478 -4.793 4.936 1.00 0.00 H new ATOM 658 N ASP A 58 14.306 -2.513 5.285 1.00 0.00 N ATOM 659 CA ASP A 58 14.381 -1.074 5.519 1.00 0.00 C ATOM 660 C ASP A 58 13.481 -0.322 4.559 1.00 0.00 C ATOM 661 O ASP A 58 13.941 0.445 3.718 1.00 0.00 O ATOM 662 CB ASP A 58 15.828 -0.583 5.397 1.00 0.00 C ATOM 663 CG ASP A 58 16.144 0.525 6.382 1.00 0.00 C ATOM 664 OD1 ASP A 58 15.203 1.136 6.921 1.00 0.00 O ATOM 665 OD2 ASP A 58 17.339 0.799 6.613 1.00 0.00 O ATOM 0 H ASP A 58 14.160 -3.058 6.135 1.00 0.00 H new ATOM 0 HA ASP A 58 14.034 -0.877 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.508 -1.418 5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.004 -0.225 4.382 1.00 0.00 H new ATOM 670 N MET A 59 12.191 -0.561 4.685 1.00 0.00 N ATOM 671 CA MET A 59 11.219 0.047 3.805 1.00 0.00 C ATOM 672 C MET A 59 10.281 0.938 4.594 1.00 0.00 C ATOM 673 O MET A 59 9.850 0.584 5.692 1.00 0.00 O ATOM 674 CB MET A 59 10.426 -1.032 3.073 1.00 0.00 C ATOM 675 CG MET A 59 10.556 -0.971 1.563 1.00 0.00 C ATOM 676 SD MET A 59 9.926 -2.458 0.761 1.00 0.00 S ATOM 677 CE MET A 59 11.150 -3.658 1.282 1.00 0.00 C ATOM 0 H MET A 59 11.792 -1.176 5.394 1.00 0.00 H new ATOM 0 HA MET A 59 11.746 0.657 3.071 1.00 0.00 H new ATOM 0 HB2 MET A 59 10.759 -2.011 3.417 1.00 0.00 H new ATOM 0 HB3 MET A 59 9.374 -0.941 3.341 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.015 -0.102 1.189 1.00 0.00 H new ATOM 0 HG3 MET A 59 11.604 -0.833 1.296 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.173 -4.485 0.573 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.131 -3.184 1.319 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.891 -4.035 2.271 1.00 0.00 H new ATOM 687 N THR A 60 9.990 2.099 4.042 1.00 0.00 N ATOM 688 CA THR A 60 9.063 3.029 4.653 1.00 0.00 C ATOM 689 C THR A 60 7.842 3.211 3.762 1.00 0.00 C ATOM 690 O THR A 60 7.927 3.824 2.694 1.00 0.00 O ATOM 691 CB THR A 60 9.732 4.394 4.903 1.00 0.00 C ATOM 692 OG1 THR A 60 11.156 4.234 4.944 1.00 0.00 O ATOM 693 CG2 THR A 60 9.247 5.007 6.209 1.00 0.00 C ATOM 0 H THR A 60 10.388 2.423 3.161 1.00 0.00 H new ATOM 0 HA THR A 60 8.754 2.616 5.613 1.00 0.00 H new ATOM 0 HB THR A 60 9.461 5.064 4.087 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.579 5.104 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.734 5.970 6.362 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.167 5.150 6.165 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.492 4.341 7.036 1.00 0.00 H new ATOM 701 N LEU A 61 6.719 2.656 4.185 1.00 0.00 N ATOM 702 CA LEU A 61 5.492 2.747 3.413 1.00 0.00 C ATOM 703 C LEU A 61 4.803 4.071 3.700 1.00 0.00 C ATOM 704 O LEU A 61 4.379 4.333 4.823 1.00 0.00 O ATOM 705 CB LEU A 61 4.565 1.579 3.748 1.00 0.00 C ATOM 706 CG LEU A 61 3.224 1.584 3.018 1.00 0.00 C ATOM 707 CD1 LEU A 61 3.406 1.169 1.567 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.238 0.665 3.719 1.00 0.00 C ATOM 0 H LEU A 61 6.632 2.138 5.059 1.00 0.00 H new ATOM 0 HA LEU A 61 5.735 2.697 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.082 0.648 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.376 1.582 4.822 1.00 0.00 H new ATOM 0 HG LEU A 61 2.823 2.597 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.440 1.178 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.081 1.866 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.827 0.165 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.287 0.679 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.633 -0.351 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.087 1.007 4.743 1.00 0.00 H new ATOM 720 N ILE A 62 4.710 4.908 2.691 1.00 0.00 N ATOM 721 CA ILE A 62 4.169 6.235 2.871 1.00 0.00 C ATOM 722 C ILE A 62 2.754 6.348 2.327 1.00 0.00 C ATOM 723 O ILE A 62 2.462 5.959 1.194 1.00 0.00 O ATOM 724 CB ILE A 62 5.093 7.303 2.237 1.00 0.00 C ATOM 725 CG1 ILE A 62 5.936 7.941 3.331 1.00 0.00 C ATOM 726 CG2 ILE A 62 4.307 8.373 1.491 1.00 0.00 C ATOM 727 CD1 ILE A 62 7.324 7.350 3.445 1.00 0.00 C ATOM 0 H ILE A 62 5.002 4.693 1.738 1.00 0.00 H new ATOM 0 HA ILE A 62 4.120 6.421 3.944 1.00 0.00 H new ATOM 0 HB ILE A 62 5.733 6.809 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.020 9.010 3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.423 7.829 4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.997 9.100 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.728 7.909 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.632 8.877 2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.869 7.852 4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.249 6.286 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.856 7.485 2.503 1.00 0.00 H new ATOM 739 N LEU A 63 1.886 6.867 3.172 1.00 0.00 N ATOM 740 CA LEU A 63 0.526 7.177 2.797 1.00 0.00 C ATOM 741 C LEU A 63 0.455 8.610 2.300 1.00 0.00 C ATOM 742 O LEU A 63 0.406 9.545 3.103 1.00 0.00 O ATOM 743 CB LEU A 63 -0.397 7.002 4.004 1.00 0.00 C ATOM 744 CG LEU A 63 -1.791 6.472 3.700 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.730 6.743 4.864 1.00 0.00 C ATOM 746 CD2 LEU A 63 -2.335 7.080 2.418 1.00 0.00 C ATOM 0 H LEU A 63 2.108 7.086 4.143 1.00 0.00 H new ATOM 0 HA LEU A 63 0.206 6.501 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.083 6.324 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.496 7.965 4.505 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.721 5.394 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.722 6.357 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.352 6.250 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.791 7.817 5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.332 6.685 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.388 8.164 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.676 6.828 1.587 1.00 0.00 H new ATOM 758 N LEU A 64 0.492 8.784 0.989 1.00 0.00 N ATOM 759 CA LEU A 64 0.409 10.111 0.402 1.00 0.00 C ATOM 760 C LEU A 64 -0.585 10.122 -0.750 1.00 0.00 C ATOM 761 O LEU A 64 -0.969 9.069 -1.251 1.00 0.00 O ATOM 762 CB LEU A 64 1.799 10.592 -0.040 1.00 0.00 C ATOM 763 CG LEU A 64 2.074 10.603 -1.542 1.00 0.00 C ATOM 764 CD1 LEU A 64 2.067 12.023 -2.084 1.00 0.00 C ATOM 765 CD2 LEU A 64 3.405 9.932 -1.829 1.00 0.00 C ATOM 0 H LEU A 64 0.579 8.025 0.313 1.00 0.00 H new ATOM 0 HA LEU A 64 0.045 10.809 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.946 11.603 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.546 9.959 0.438 1.00 0.00 H new ATOM 0 HG LEU A 64 1.281 10.048 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.265 12.004 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.093 12.477 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.838 12.608 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.594 9.944 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.202 10.469 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.376 8.901 -1.477 1.00 0.00 H new ATOM 777 N ARG A 65 -1.022 11.307 -1.150 1.00 0.00 N ATOM 778 CA ARG A 65 -1.900 11.430 -2.299 1.00 0.00 C ATOM 779 C ARG A 65 -1.378 12.499 -3.257 1.00 0.00 C ATOM 780 O ARG A 65 -1.441 13.700 -2.990 1.00 0.00 O ATOM 781 CB ARG A 65 -3.344 11.731 -1.859 1.00 0.00 C ATOM 782 CG ARG A 65 -3.526 13.035 -1.094 1.00 0.00 C ATOM 783 CD ARG A 65 -3.362 12.836 0.404 1.00 0.00 C ATOM 784 NE ARG A 65 -2.719 13.989 1.033 1.00 0.00 N ATOM 785 CZ ARG A 65 -3.303 14.762 1.949 1.00 0.00 C ATOM 786 NH1 ARG A 65 -4.528 14.485 2.381 1.00 0.00 N ATOM 787 NH2 ARG A 65 -2.660 15.815 2.437 1.00 0.00 N ATOM 0 H ARG A 65 -0.784 12.190 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.910 10.477 -2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.980 11.755 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.696 10.909 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.799 13.767 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.515 13.443 -1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.339 12.670 0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.768 11.941 0.590 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.765 14.216 0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.028 13.676 2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.968 15.081 3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.718 16.034 2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.107 16.406 3.138 1.00 0.00 H new ATOM 801 N ASN A 66 -0.812 12.032 -4.352 1.00 0.00 N ATOM 802 CA ASN A 66 -0.368 12.889 -5.438 1.00 0.00 C ATOM 803 C ASN A 66 -0.805 12.260 -6.752 1.00 0.00 C ATOM 804 O ASN A 66 -1.231 11.105 -6.755 1.00 0.00 O ATOM 805 CB ASN A 66 1.155 13.069 -5.395 1.00 0.00 C ATOM 806 CG ASN A 66 1.693 13.822 -6.596 1.00 0.00 C ATOM 807 OD1 ASN A 66 1.268 14.938 -6.885 1.00 0.00 O ATOM 808 ND2 ASN A 66 2.614 13.205 -7.320 1.00 0.00 N ATOM 0 H ASN A 66 -0.645 11.039 -4.516 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.814 13.878 -5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.427 13.604 -4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.630 12.090 -5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.996 13.656 -8.151 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.941 12.278 -7.047 1.00 0.00 H new ATOM 815 N VAL A 67 -0.709 13.001 -7.851 1.00 0.00 N ATOM 816 CA VAL A 67 -0.965 12.442 -9.173 1.00 0.00 C ATOM 817 C VAL A 67 -0.919 13.522 -10.251 1.00 0.00 C ATOM 818 O VAL A 67 -0.619 13.242 -11.415 1.00 0.00 O ATOM 819 CB VAL A 67 -2.309 11.675 -9.219 1.00 0.00 C ATOM 820 CG1 VAL A 67 -3.499 12.625 -9.202 1.00 0.00 C ATOM 821 CG2 VAL A 67 -2.365 10.753 -10.429 1.00 0.00 C ATOM 0 H VAL A 67 -0.456 13.989 -7.852 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.169 11.726 -9.378 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.369 11.062 -8.319 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.424 12.050 -9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.475 13.222 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.450 13.285 -10.068 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.318 10.225 -10.440 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.266 11.342 -11.340 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.551 10.031 -10.374 1.00 0.00 H new ATOM 831 N GLY A 68 -1.187 14.762 -9.862 1.00 0.00 N ATOM 832 CA GLY A 68 -1.112 15.865 -10.799 1.00 0.00 C ATOM 833 C GLY A 68 0.301 16.392 -10.940 1.00 0.00 C ATOM 834 O GLY A 68 0.564 17.562 -10.662 1.00 0.00 O ATOM 0 H GLY A 68 -1.455 15.023 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.477 15.539 -11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.768 16.669 -10.466 1.00 0.00 H new ATOM 838 N GLY A 69 1.206 15.526 -11.378 1.00 0.00 N ATOM 839 CA GLY A 69 2.606 15.892 -11.472 1.00 0.00 C ATOM 840 C GLY A 69 3.239 15.998 -10.102 1.00 0.00 C ATOM 841 O GLY A 69 3.185 15.044 -9.323 1.00 0.00 O ATOM 0 H GLY A 69 0.994 14.572 -11.671 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.139 15.149 -12.065 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.701 16.844 -11.994 1.00 0.00 H new ATOM 845 N ASN A 70 3.831 17.155 -9.817 1.00 0.00 N ATOM 846 CA ASN A 70 4.383 17.467 -8.497 1.00 0.00 C ATOM 847 C ASN A 70 5.455 16.462 -8.078 1.00 0.00 C ATOM 848 O ASN A 70 6.621 16.589 -8.458 1.00 0.00 O ATOM 849 CB ASN A 70 3.258 17.527 -7.452 1.00 0.00 C ATOM 850 CG ASN A 70 3.740 17.951 -6.074 1.00 0.00 C ATOM 851 OD1 ASN A 70 3.327 17.385 -5.063 1.00 0.00 O ATOM 852 ND2 ASN A 70 4.606 18.949 -6.022 1.00 0.00 N ATOM 0 H ASN A 70 3.943 17.907 -10.497 1.00 0.00 H new ATOM 0 HA ASN A 70 4.862 18.444 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.492 18.224 -7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.787 16.547 -7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.955 19.275 -5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.925 19.393 -6.883 1.00 0.00 H new ATOM 859 N GLY A 71 5.057 15.459 -7.313 1.00 0.00 N ATOM 860 CA GLY A 71 6.000 14.496 -6.795 1.00 0.00 C ATOM 861 C GLY A 71 5.391 13.682 -5.680 1.00 0.00 C ATOM 862 O GLY A 71 4.426 14.111 -5.051 1.00 0.00 O ATOM 0 H GLY A 71 4.088 15.295 -7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.325 13.833 -7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.887 15.012 -6.429 1.00 0.00 H new ATOM 866 N TRP A 72 5.941 12.512 -5.431 1.00 0.00 N ATOM 867 CA TRP A 72 5.393 11.628 -4.420 1.00 0.00 C ATOM 868 C TRP A 72 5.918 12.008 -3.039 1.00 0.00 C ATOM 869 O TRP A 72 6.802 11.348 -2.484 1.00 0.00 O ATOM 870 CB TRP A 72 5.733 10.179 -4.743 1.00 0.00 C ATOM 871 CG TRP A 72 5.077 9.666 -5.991 1.00 0.00 C ATOM 872 CD1 TRP A 72 5.711 9.185 -7.098 1.00 0.00 C ATOM 873 CD2 TRP A 72 3.668 9.572 -6.266 1.00 0.00 C ATOM 874 NE1 TRP A 72 4.793 8.784 -8.033 1.00 0.00 N ATOM 875 CE2 TRP A 72 3.534 9.009 -7.550 1.00 0.00 C ATOM 876 CE3 TRP A 72 2.507 9.900 -5.556 1.00 0.00 C ATOM 877 CZ2 TRP A 72 2.292 8.763 -8.134 1.00 0.00 C ATOM 878 CZ3 TRP A 72 1.278 9.654 -6.138 1.00 0.00 C ATOM 879 CH2 TRP A 72 1.179 9.090 -7.413 1.00 0.00 C ATOM 0 H TRP A 72 6.765 12.151 -5.912 1.00 0.00 H new ATOM 0 HA TRP A 72 4.308 11.735 -4.416 1.00 0.00 H new ATOM 0 HB2 TRP A 72 6.814 10.084 -4.847 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.437 9.550 -3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.783 9.128 -7.220 1.00 0.00 H new ATOM 0 HE1 TRP A 72 5.014 8.382 -8.944 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.571 10.338 -4.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 2.213 8.330 -9.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.377 9.902 -5.597 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.202 8.909 -7.837 1.00 0.00 H new ATOM 890 N GLY A 73 5.357 13.077 -2.498 1.00 0.00 N ATOM 891 CA GLY A 73 5.797 13.608 -1.226 1.00 0.00 C ATOM 892 C GLY A 73 5.380 12.761 -0.040 1.00 0.00 C ATOM 893 O GLY A 73 4.192 12.601 0.229 1.00 0.00 O ATOM 0 H GLY A 73 4.590 13.595 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.883 13.697 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.396 14.614 -1.103 1.00 0.00 H new ATOM 897 N GLU A 74 6.362 12.235 0.679 1.00 0.00 N ATOM 898 CA GLU A 74 6.106 11.394 1.844 1.00 0.00 C ATOM 899 C GLU A 74 5.432 12.181 2.969 1.00 0.00 C ATOM 900 O GLU A 74 5.929 13.228 3.381 1.00 0.00 O ATOM 901 CB GLU A 74 7.416 10.787 2.364 1.00 0.00 C ATOM 902 CG GLU A 74 8.664 11.573 1.993 1.00 0.00 C ATOM 903 CD GLU A 74 9.348 11.010 0.766 1.00 0.00 C ATOM 904 OE1 GLU A 74 9.819 9.854 0.817 1.00 0.00 O ATOM 905 OE2 GLU A 74 9.390 11.702 -0.270 1.00 0.00 O ATOM 0 H GLU A 74 7.351 12.376 0.475 1.00 0.00 H new ATOM 0 HA GLU A 74 5.432 10.598 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.360 10.709 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.511 9.773 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.396 12.614 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.360 11.564 2.832 1.00 0.00 H new ATOM 912 N ILE A 75 4.298 11.680 3.460 1.00 0.00 N ATOM 913 CA ILE A 75 3.629 12.304 4.596 1.00 0.00 C ATOM 914 C ILE A 75 3.399 11.290 5.730 1.00 0.00 C ATOM 915 O ILE A 75 4.102 11.345 6.740 1.00 0.00 O ATOM 916 CB ILE A 75 2.311 13.025 4.191 1.00 0.00 C ATOM 917 CG1 ILE A 75 1.394 13.232 5.403 1.00 0.00 C ATOM 918 CG2 ILE A 75 1.584 12.271 3.093 1.00 0.00 C ATOM 919 CD1 ILE A 75 0.701 14.575 5.416 1.00 0.00 C ATOM 0 H ILE A 75 3.829 10.852 3.092 1.00 0.00 H new ATOM 0 HA ILE A 75 4.297 13.079 4.971 1.00 0.00 H new ATOM 0 HB ILE A 75 2.584 14.006 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.641 12.444 5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.982 13.127 6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.668 12.801 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.225 12.201 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.337 11.268 3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.070 14.650 6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.447 15.369 5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.085 14.675 4.522 1.00 0.00 H new ATOM 931 N LYS A 76 2.464 10.343 5.572 1.00 0.00 N ATOM 932 CA LYS A 76 2.218 9.372 6.631 1.00 0.00 C ATOM 933 C LYS A 76 3.204 8.218 6.508 1.00 0.00 C ATOM 934 O LYS A 76 3.150 7.443 5.556 1.00 0.00 O ATOM 935 CB LYS A 76 0.773 8.864 6.585 1.00 0.00 C ATOM 936 CG LYS A 76 0.474 7.754 7.586 1.00 0.00 C ATOM 937 CD LYS A 76 0.546 8.250 9.021 1.00 0.00 C ATOM 938 CE LYS A 76 -0.015 7.223 9.994 1.00 0.00 C ATOM 939 NZ LYS A 76 0.852 7.054 11.191 1.00 0.00 N ATOM 0 H LYS A 76 1.882 10.234 4.741 1.00 0.00 H new ATOM 0 HA LYS A 76 2.364 9.859 7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.099 9.700 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.558 8.501 5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.519 7.348 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.185 6.939 7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.582 8.470 9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.011 9.183 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.012 7.530 10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.122 6.264 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.432 6.346 11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.796 6.736 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.934 7.962 11.691 1.00 0.00 H new ATOM 953 N ARG A 77 4.110 8.122 7.465 1.00 0.00 N ATOM 954 CA ARG A 77 5.176 7.138 7.409 1.00 0.00 C ATOM 955 C ARG A 77 4.822 5.874 8.187 1.00 0.00 C ATOM 956 O ARG A 77 4.590 5.917 9.395 1.00 0.00 O ATOM 957 CB ARG A 77 6.463 7.750 7.960 1.00 0.00 C ATOM 958 CG ARG A 77 7.365 8.333 6.885 1.00 0.00 C ATOM 959 CD ARG A 77 7.946 9.670 7.309 1.00 0.00 C ATOM 960 NE ARG A 77 6.907 10.665 7.582 1.00 0.00 N ATOM 961 CZ ARG A 77 7.090 11.736 8.356 1.00 0.00 C ATOM 962 NH1 ARG A 77 8.270 11.968 8.914 1.00 0.00 N ATOM 963 NH2 ARG A 77 6.093 12.580 8.570 1.00 0.00 N ATOM 0 H ARG A 77 4.128 8.716 8.294 1.00 0.00 H new ATOM 0 HA ARG A 77 5.318 6.851 6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.207 8.534 8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.013 6.986 8.510 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.174 7.635 6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.799 8.458 5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.557 9.532 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.606 10.042 6.525 1.00 0.00 H new ATOM 0 HE ARG A 77 5.990 10.531 7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.046 11.325 8.753 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.402 12.789 9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.182 12.412 8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.236 13.398 9.162 1.00 0.00 H new ATOM 977 N ASN A 78 4.765 4.757 7.481 1.00 0.00 N ATOM 978 CA ASN A 78 4.590 3.457 8.107 1.00 0.00 C ATOM 979 C ASN A 78 5.949 2.778 8.234 1.00 0.00 C ATOM 980 O ASN A 78 6.744 2.774 7.289 1.00 0.00 O ATOM 981 CB ASN A 78 3.603 2.601 7.299 1.00 0.00 C ATOM 982 CG ASN A 78 3.809 1.107 7.463 1.00 0.00 C ATOM 983 OD1 ASN A 78 4.574 0.485 6.729 1.00 0.00 O ATOM 984 ND2 ASN A 78 3.107 0.518 8.416 1.00 0.00 N ATOM 0 H ASN A 78 4.838 4.725 6.464 1.00 0.00 H new ATOM 0 HA ASN A 78 4.168 3.581 9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.587 2.853 7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.695 2.857 6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.190 -0.488 8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.483 1.070 9.005 1.00 0.00 H new ATOM 991 N ASP A 79 6.226 2.240 9.415 1.00 0.00 N ATOM 992 CA ASP A 79 7.532 1.661 9.711 1.00 0.00 C ATOM 993 C ASP A 79 7.646 0.249 9.159 1.00 0.00 C ATOM 994 O ASP A 79 6.668 -0.324 8.684 1.00 0.00 O ATOM 995 CB ASP A 79 7.785 1.652 11.220 1.00 0.00 C ATOM 996 CG ASP A 79 7.696 3.034 11.830 1.00 0.00 C ATOM 997 OD1 ASP A 79 8.533 3.896 11.490 1.00 0.00 O ATOM 998 OD2 ASP A 79 6.778 3.270 12.648 1.00 0.00 O ATOM 0 H ASP A 79 5.561 2.192 10.187 1.00 0.00 H new ATOM 0 HA ASP A 79 8.287 2.281 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.059 0.998 11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.772 1.234 11.417 1.00 0.00 H new ATOM 1003 N ILE A 80 8.840 -0.316 9.258 1.00 0.00 N ATOM 1004 CA ILE A 80 9.115 -1.632 8.706 1.00 0.00 C ATOM 1005 C ILE A 80 8.579 -2.727 9.624 1.00 0.00 C ATOM 1006 O ILE A 80 8.714 -2.649 10.848 1.00 0.00 O ATOM 1007 CB ILE A 80 10.635 -1.823 8.462 1.00 0.00 C ATOM 1008 CG1 ILE A 80 10.914 -3.181 7.814 1.00 0.00 C ATOM 1009 CG2 ILE A 80 11.416 -1.675 9.764 1.00 0.00 C ATOM 1010 CD1 ILE A 80 12.387 -3.519 7.719 1.00 0.00 C ATOM 0 H ILE A 80 9.638 0.121 9.719 1.00 0.00 H new ATOM 0 HA ILE A 80 8.603 -1.708 7.747 1.00 0.00 H new ATOM 0 HB ILE A 80 10.968 -1.044 7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.408 -3.958 8.387 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.483 -3.192 6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.479 -1.813 9.568 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.249 -0.680 10.177 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.078 -2.426 10.478 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.507 -4.495 7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.896 -2.763 7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.820 -3.542 8.719 1.00 0.00 H new ATOM 1022 N ASP A 81 7.957 -3.732 9.010 1.00 0.00 N ATOM 1023 CA ASP A 81 7.306 -4.827 9.727 1.00 0.00 C ATOM 1024 C ASP A 81 6.302 -4.277 10.723 1.00 0.00 C ATOM 1025 O ASP A 81 6.311 -4.625 11.907 1.00 0.00 O ATOM 1026 CB ASP A 81 8.326 -5.735 10.419 1.00 0.00 C ATOM 1027 CG ASP A 81 8.026 -7.202 10.179 1.00 0.00 C ATOM 1028 OD1 ASP A 81 7.960 -7.617 8.999 1.00 0.00 O ATOM 1029 OD2 ASP A 81 7.840 -7.950 11.163 1.00 0.00 O ATOM 0 H ASP A 81 7.890 -3.810 7.995 1.00 0.00 H new ATOM 0 HA ASP A 81 6.775 -5.439 8.998 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.326 -5.504 10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.324 -5.534 11.490 1.00 0.00 H new ATOM 1034 N LYS A 82 5.436 -3.407 10.226 1.00 0.00 N ATOM 1035 CA LYS A 82 4.459 -2.724 11.060 1.00 0.00 C ATOM 1036 C LYS A 82 3.204 -2.404 10.251 1.00 0.00 C ATOM 1037 O LYS A 82 3.283 -2.132 9.050 1.00 0.00 O ATOM 1038 CB LYS A 82 5.083 -1.443 11.655 1.00 0.00 C ATOM 1039 CG LYS A 82 4.344 -0.148 11.326 1.00 0.00 C ATOM 1040 CD LYS A 82 3.850 0.570 12.576 1.00 0.00 C ATOM 1041 CE LYS A 82 4.910 0.620 13.666 1.00 0.00 C ATOM 1042 NZ LYS A 82 5.037 1.981 14.256 1.00 0.00 N ATOM 0 H LYS A 82 5.390 -3.156 9.239 1.00 0.00 H new ATOM 0 HA LYS A 82 4.168 -3.377 11.883 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.130 -1.550 12.739 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.109 -1.358 11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.006 0.514 10.768 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.496 -0.371 10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.551 1.585 12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.963 0.064 12.957 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.658 -0.093 14.450 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.871 0.313 13.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.101 1.906 15.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.895 2.440 13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.204 2.549 14.001 1.00 0.00 H new ATOM 1056 N PRO A 83 2.026 -2.470 10.885 1.00 0.00 N ATOM 1057 CA PRO A 83 0.766 -2.105 10.270 1.00 0.00 C ATOM 1058 C PRO A 83 0.370 -0.669 10.597 1.00 0.00 C ATOM 1059 O PRO A 83 0.627 -0.177 11.697 1.00 0.00 O ATOM 1060 CB PRO A 83 -0.222 -3.089 10.915 1.00 0.00 C ATOM 1061 CG PRO A 83 0.467 -3.636 12.137 1.00 0.00 C ATOM 1062 CD PRO A 83 1.800 -2.937 12.251 1.00 0.00 C ATOM 0 HA PRO A 83 0.800 -2.156 9.182 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.151 -2.587 11.184 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.481 -3.890 10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.136 -3.462 13.028 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.604 -4.714 12.051 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.767 -2.112 12.962 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.587 -3.614 12.585 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.239 0.012 9.645 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.788 1.326 9.910 1.00 0.00 C ATOM 1072 C LEU A 84 -2.286 1.326 9.641 1.00 0.00 C ATOM 1073 O LEU A 84 -2.757 0.719 8.678 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.026 2.444 9.144 1.00 0.00 C ATOM 1075 CG LEU A 84 -0.329 2.677 7.645 1.00 0.00 C ATOM 1076 CD1 LEU A 84 -0.386 1.378 6.859 1.00 0.00 C ATOM 1077 CD2 LEU A 84 -1.605 3.486 7.458 1.00 0.00 C ATOM 0 H LEU A 84 -0.365 -0.320 8.689 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.645 1.559 10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.211 3.383 9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.040 2.235 9.234 1.00 0.00 H new ATOM 0 HG LEU A 84 0.502 3.257 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.601 1.595 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.573 0.865 6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.171 0.740 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.790 3.633 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.444 2.950 7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.496 4.455 7.944 1.00 0.00 H new ATOM 1089 N LYS A 85 -3.031 1.951 10.535 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.474 2.028 10.399 1.00 0.00 C ATOM 1091 C LYS A 85 -4.895 3.377 9.826 1.00 0.00 C ATOM 1092 O LYS A 85 -4.069 4.266 9.619 1.00 0.00 O ATOM 1093 CB LYS A 85 -5.155 1.786 11.750 1.00 0.00 C ATOM 1094 CG LYS A 85 -6.404 0.921 11.656 1.00 0.00 C ATOM 1095 CD LYS A 85 -7.505 1.424 12.578 1.00 0.00 C ATOM 1096 CE LYS A 85 -8.769 1.770 11.804 1.00 0.00 C ATOM 1097 NZ LYS A 85 -9.920 2.038 12.706 1.00 0.00 N ATOM 0 H LYS A 85 -2.659 2.414 11.365 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.790 1.249 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.444 1.311 12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.421 2.747 12.191 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.765 0.913 10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.155 -0.108 11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.732 0.663 13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.155 2.304 13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.585 2.646 11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.019 0.949 11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.760 2.269 12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.114 1.194 13.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.693 2.838 13.330 1.00 0.00 H new ATOM 1111 N TYR A 86 -6.187 3.520 9.591 1.00 0.00 N ATOM 1112 CA TYR A 86 -6.729 4.690 8.924 1.00 0.00 C ATOM 1113 C TYR A 86 -7.629 5.486 9.855 1.00 0.00 C ATOM 1114 O TYR A 86 -8.157 4.951 10.830 1.00 0.00 O ATOM 1115 CB TYR A 86 -7.538 4.249 7.697 1.00 0.00 C ATOM 1116 CG TYR A 86 -8.556 3.161 7.996 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -8.199 1.817 7.964 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -9.872 3.478 8.316 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -9.120 0.825 8.241 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -10.797 2.491 8.595 1.00 0.00 C ATOM 1121 CZ TYR A 86 -10.417 1.167 8.557 1.00 0.00 C ATOM 1122 OH TYR A 86 -11.335 0.182 8.838 1.00 0.00 O ATOM 0 H TYR A 86 -6.889 2.829 9.857 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.897 5.325 8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.055 5.115 7.283 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.852 3.891 6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.183 1.544 7.718 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.176 4.514 8.347 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.825 -0.213 8.210 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -11.814 2.756 8.842 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.202 0.591 9.042 1.00 0.00 H new ATOM 1132 N GLU A 87 -7.786 6.765 9.547 1.00 0.00 N ATOM 1133 CA GLU A 87 -8.801 7.587 10.183 1.00 0.00 C ATOM 1134 C GLU A 87 -9.991 7.696 9.236 1.00 0.00 C ATOM 1135 O GLU A 87 -11.105 7.285 9.565 1.00 0.00 O ATOM 1136 CB GLU A 87 -8.244 8.975 10.510 1.00 0.00 C ATOM 1137 CG GLU A 87 -8.913 9.642 11.701 1.00 0.00 C ATOM 1138 CD GLU A 87 -8.300 10.985 12.035 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -7.245 11.016 12.701 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -8.873 12.022 11.636 1.00 0.00 O ATOM 0 H GLU A 87 -7.219 7.257 8.856 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.114 7.129 11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.175 8.890 10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.357 9.616 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.974 9.773 11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.839 8.987 12.569 1.00 0.00 H new ATOM 1147 N ASP A 88 -9.729 8.231 8.047 1.00 0.00 N ATOM 1148 CA ASP A 88 -10.721 8.293 6.980 1.00 0.00 C ATOM 1149 C ASP A 88 -10.028 8.171 5.627 1.00 0.00 C ATOM 1150 O ASP A 88 -9.058 8.881 5.361 1.00 0.00 O ATOM 1151 CB ASP A 88 -11.507 9.603 7.049 1.00 0.00 C ATOM 1152 CG ASP A 88 -12.736 9.584 6.164 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -13.694 8.850 6.487 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -12.759 10.313 5.150 1.00 0.00 O ATOM 0 H ASP A 88 -8.825 8.633 7.797 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.420 7.466 7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.807 9.790 8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.860 10.428 6.751 1.00 0.00 H new ATOM 1159 N TYR A 89 -10.515 7.273 4.777 1.00 0.00 N ATOM 1160 CA TYR A 89 -9.876 7.034 3.483 1.00 0.00 C ATOM 1161 C TYR A 89 -10.642 7.687 2.339 1.00 0.00 C ATOM 1162 O TYR A 89 -10.672 7.164 1.223 1.00 0.00 O ATOM 1163 CB TYR A 89 -9.682 5.536 3.212 1.00 0.00 C ATOM 1164 CG TYR A 89 -10.821 4.634 3.636 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -11.916 4.423 2.807 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -10.779 3.963 4.850 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -12.938 3.570 3.180 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -11.799 3.115 5.232 1.00 0.00 C ATOM 1169 CZ TYR A 89 -12.875 2.918 4.393 1.00 0.00 C ATOM 1170 OH TYR A 89 -13.883 2.055 4.763 1.00 0.00 O ATOM 0 H TYR A 89 -11.342 6.703 4.956 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.892 7.499 3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.514 5.399 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.776 5.209 3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -11.970 4.933 1.857 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.934 4.107 5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -13.782 3.415 2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.754 2.608 6.184 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.684 1.678 5.645 1.00 0.00 H new ATOM 1180 N TYR A 90 -11.259 8.830 2.635 1.00 0.00 N ATOM 1181 CA TYR A 90 -11.933 9.656 1.632 1.00 0.00 C ATOM 1182 C TYR A 90 -13.218 9.001 1.132 1.00 0.00 C ATOM 1183 O TYR A 90 -13.189 8.037 0.365 1.00 0.00 O ATOM 1184 CB TYR A 90 -11.007 9.968 0.448 1.00 0.00 C ATOM 1185 CG TYR A 90 -9.679 10.578 0.844 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -9.615 11.834 1.436 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -8.489 9.894 0.623 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -8.401 12.391 1.793 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -7.275 10.444 0.978 1.00 0.00 C ATOM 1190 CZ TYR A 90 -7.236 11.690 1.564 1.00 0.00 C ATOM 1191 OH TYR A 90 -6.027 12.239 1.919 1.00 0.00 O ATOM 0 H TYR A 90 -11.306 9.211 3.580 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.196 10.593 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.821 9.048 -0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -11.520 10.650 -0.230 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.527 12.383 1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.516 8.916 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.365 13.370 2.249 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.359 9.900 0.797 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.418 11.528 2.209 1.00 0.00 H new ATOM 1201 N THR A 91 -14.346 9.554 1.554 1.00 0.00 N ATOM 1202 CA THR A 91 -15.652 9.060 1.142 1.00 0.00 C ATOM 1203 C THR A 91 -15.832 9.190 -0.376 1.00 0.00 C ATOM 1204 O THR A 91 -16.557 8.412 -0.997 1.00 0.00 O ATOM 1205 CB THR A 91 -16.782 9.809 1.905 1.00 0.00 C ATOM 1206 OG1 THR A 91 -17.575 8.873 2.644 1.00 0.00 O ATOM 1207 CG2 THR A 91 -17.684 10.618 0.979 1.00 0.00 C ATOM 0 H THR A 91 -14.382 10.353 2.188 1.00 0.00 H new ATOM 0 HA THR A 91 -15.714 8.001 1.394 1.00 0.00 H new ATOM 0 HB THR A 91 -16.295 10.512 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 91 -18.283 9.351 3.123 1.00 0.00 H new ATOM 0 HG21 THR A 91 -18.453 11.119 1.567 1.00 0.00 H new ATOM 0 HG22 THR A 91 -17.089 11.363 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 91 -18.155 9.952 0.257 1.00 0.00 H new ATOM 1215 N SER A 92 -15.126 10.149 -0.963 1.00 0.00 N ATOM 1216 CA SER A 92 -15.217 10.425 -2.388 1.00 0.00 C ATOM 1217 C SER A 92 -14.361 9.455 -3.209 1.00 0.00 C ATOM 1218 O SER A 92 -14.436 9.438 -4.439 1.00 0.00 O ATOM 1219 CB SER A 92 -14.765 11.863 -2.637 1.00 0.00 C ATOM 1220 OG SER A 92 -14.222 12.424 -1.450 1.00 0.00 O ATOM 0 H SER A 92 -14.476 10.756 -0.464 1.00 0.00 H new ATOM 0 HA SER A 92 -16.251 10.291 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.019 11.884 -3.431 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.609 12.463 -2.977 1.00 0.00 H new ATOM 0 HG SER A 92 -13.935 13.345 -1.625 1.00 0.00 H new ATOM 1226 N GLY A 93 -13.546 8.652 -2.528 1.00 0.00 N ATOM 1227 CA GLY A 93 -12.657 7.739 -3.226 1.00 0.00 C ATOM 1228 C GLY A 93 -11.572 8.480 -3.981 1.00 0.00 C ATOM 1229 O GLY A 93 -11.445 8.346 -5.203 1.00 0.00 O ATOM 0 H GLY A 93 -13.486 8.617 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.200 7.057 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.234 7.130 -3.922 1.00 0.00 H new ATOM 1233 N LEU A 94 -10.800 9.271 -3.249 1.00 0.00 N ATOM 1234 CA LEU A 94 -9.758 10.099 -3.843 1.00 0.00 C ATOM 1235 C LEU A 94 -8.558 9.255 -4.260 1.00 0.00 C ATOM 1236 O LEU A 94 -8.387 8.128 -3.795 1.00 0.00 O ATOM 1237 CB LEU A 94 -9.319 11.181 -2.853 1.00 0.00 C ATOM 1238 CG LEU A 94 -8.751 12.452 -3.486 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -9.872 13.412 -3.858 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -7.760 13.118 -2.544 1.00 0.00 C ATOM 0 H LEU A 94 -10.876 9.357 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.168 10.573 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.174 11.453 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.566 10.758 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.223 12.177 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.448 14.310 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.541 12.931 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.431 13.683 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.365 14.021 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.263 13.380 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.941 12.431 -2.333 1.00 0.00 H new ATOM 1252 N SER A 95 -7.737 9.805 -5.141 1.00 0.00 N ATOM 1253 CA SER A 95 -6.544 9.125 -5.609 1.00 0.00 C ATOM 1254 C SER A 95 -5.416 9.270 -4.591 1.00 0.00 C ATOM 1255 O SER A 95 -5.126 10.373 -4.124 1.00 0.00 O ATOM 1256 CB SER A 95 -6.125 9.702 -6.962 1.00 0.00 C ATOM 1257 OG SER A 95 -7.188 10.451 -7.537 1.00 0.00 O ATOM 0 H SER A 95 -7.879 10.729 -5.548 1.00 0.00 H new ATOM 0 HA SER A 95 -6.759 8.063 -5.727 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.250 10.340 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.837 8.894 -7.635 1.00 0.00 H new ATOM 0 HG SER A 95 -6.902 10.814 -8.401 1.00 0.00 H new ATOM 1263 N TRP A 96 -4.793 8.153 -4.248 1.00 0.00 N ATOM 1264 CA TRP A 96 -3.735 8.130 -3.252 1.00 0.00 C ATOM 1265 C TRP A 96 -2.766 6.998 -3.568 1.00 0.00 C ATOM 1266 O TRP A 96 -3.047 6.156 -4.423 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.321 7.971 -1.842 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.139 6.729 -1.666 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -6.463 6.569 -1.958 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -4.686 5.474 -1.156 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -6.857 5.286 -1.672 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -5.784 4.595 -1.176 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -3.455 5.007 -0.689 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -5.689 3.275 -0.745 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -3.363 3.699 -0.261 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -4.473 2.845 -0.292 1.00 0.00 C ATOM 0 H TRP A 96 -5.006 7.241 -4.651 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.195 9.077 -3.281 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.506 7.964 -1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.941 8.839 -1.616 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -7.106 7.340 -2.356 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.795 4.909 -1.807 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -2.593 5.657 -0.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -6.544 2.615 -0.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.418 3.326 0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -4.366 1.826 0.049 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.633 6.978 -2.886 1.00 0.00 N ATOM 1288 CA ILE A 97 -0.583 6.029 -3.200 1.00 0.00 C ATOM 1289 C ILE A 97 0.018 5.387 -1.950 1.00 0.00 C ATOM 1290 O ILE A 97 0.241 6.053 -0.929 1.00 0.00 O ATOM 1291 CB ILE A 97 0.538 6.728 -3.995 1.00 0.00 C ATOM 1292 CG1 ILE A 97 1.637 5.734 -4.380 1.00 0.00 C ATOM 1293 CG2 ILE A 97 1.111 7.880 -3.188 1.00 0.00 C ATOM 1294 CD1 ILE A 97 2.970 6.383 -4.682 1.00 0.00 C ATOM 0 H ILE A 97 -1.419 7.608 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.038 5.238 -3.796 1.00 0.00 H new ATOM 0 HB ILE A 97 0.112 7.126 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.768 5.019 -3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.313 5.169 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.902 8.366 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.323 8.601 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.520 7.500 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.697 5.615 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.856 7.077 -5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.318 6.925 -3.803 1.00 0.00 H new ATOM 1306 N TRP A 98 0.254 4.083 -2.042 1.00 0.00 N ATOM 1307 CA TRP A 98 1.094 3.381 -1.087 1.00 0.00 C ATOM 1308 C TRP A 98 2.539 3.496 -1.561 1.00 0.00 C ATOM 1309 O TRP A 98 3.026 2.657 -2.323 1.00 0.00 O ATOM 1310 CB TRP A 98 0.700 1.902 -0.991 1.00 0.00 C ATOM 1311 CG TRP A 98 -0.372 1.592 0.018 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -1.365 0.667 -0.126 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -0.558 2.182 1.315 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -2.158 0.644 0.994 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -1.687 1.564 1.892 1.00 0.00 C ATOM 1316 CE3 TRP A 98 0.111 3.168 2.044 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -2.155 1.898 3.160 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -0.354 3.497 3.301 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -1.479 2.864 3.849 1.00 0.00 C ATOM 0 H TRP A 98 -0.130 3.489 -2.777 1.00 0.00 H new ATOM 0 HA TRP A 98 0.971 3.824 -0.099 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.362 1.568 -1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.588 1.320 -0.745 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -1.506 0.043 -0.996 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.967 0.039 1.135 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.977 3.664 1.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.021 1.411 3.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 0.158 4.256 3.873 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -1.817 3.146 4.835 1.00 0.00 H new ATOM 1330 N LYS A 99 3.208 4.553 -1.148 1.00 0.00 N ATOM 1331 CA LYS A 99 4.548 4.832 -1.633 1.00 0.00 C ATOM 1332 C LYS A 99 5.592 4.138 -0.781 1.00 0.00 C ATOM 1333 O LYS A 99 5.886 4.574 0.329 1.00 0.00 O ATOM 1334 CB LYS A 99 4.800 6.335 -1.639 1.00 0.00 C ATOM 1335 CG LYS A 99 6.051 6.736 -2.397 1.00 0.00 C ATOM 1336 CD LYS A 99 6.484 8.142 -2.034 1.00 0.00 C ATOM 1337 CE LYS A 99 7.815 8.144 -1.310 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.622 9.343 -1.646 1.00 0.00 N ATOM 0 H LYS A 99 2.848 5.233 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 99 4.626 4.449 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.940 6.838 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.880 6.686 -0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.856 6.036 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.865 6.675 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.560 8.745 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.725 8.606 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.644 8.111 -0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.373 7.245 -1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.364 9.474 -0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.061 9.215 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.007 10.181 -1.664 1.00 0.00 H new ATOM 1352 N ILE A 100 6.160 3.067 -1.300 1.00 0.00 N ATOM 1353 CA ILE A 100 7.165 2.328 -0.559 1.00 0.00 C ATOM 1354 C ILE A 100 8.554 2.862 -0.864 1.00 0.00 C ATOM 1355 O ILE A 100 9.065 2.699 -1.974 1.00 0.00 O ATOM 1356 CB ILE A 100 7.130 0.810 -0.844 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.895 0.428 -1.667 1.00 0.00 C ATOM 1358 CG2 ILE A 100 7.158 0.034 0.465 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.861 -1.035 -2.059 1.00 0.00 C ATOM 0 H ILE A 100 5.946 2.691 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 100 6.931 2.471 0.496 1.00 0.00 H new ATOM 0 HB ILE A 100 8.012 0.552 -1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.999 0.664 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.866 1.039 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.133 -1.035 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.070 0.275 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.291 0.306 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.960 -1.235 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.740 -1.271 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.859 -1.652 -1.161 1.00 0.00 H new ATOM 1371 N LYS A 101 9.141 3.528 0.116 1.00 0.00 N ATOM 1372 CA LYS A 101 10.504 4.019 0.006 1.00 0.00 C ATOM 1373 C LYS A 101 11.454 2.990 0.605 1.00 0.00 C ATOM 1374 O LYS A 101 11.300 2.588 1.758 1.00 0.00 O ATOM 1375 CB LYS A 101 10.632 5.374 0.713 1.00 0.00 C ATOM 1376 CG LYS A 101 12.064 5.806 0.990 1.00 0.00 C ATOM 1377 CD LYS A 101 12.109 6.974 1.963 1.00 0.00 C ATOM 1378 CE LYS A 101 13.026 8.080 1.464 1.00 0.00 C ATOM 1379 NZ LYS A 101 12.332 8.999 0.521 1.00 0.00 N ATOM 0 H LYS A 101 8.689 3.743 1.005 1.00 0.00 H new ATOM 0 HA LYS A 101 10.764 4.166 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.147 6.136 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.090 5.330 1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.627 4.967 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.548 6.089 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.103 7.370 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.454 6.625 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.402 8.650 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.890 7.638 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.735 9.954 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.457 8.657 -0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.318 9.030 0.749 1.00 0.00 H new ATOM 1393 N ASN A 102 12.417 2.557 -0.188 1.00 0.00 N ATOM 1394 CA ASN A 102 13.298 1.465 0.195 1.00 0.00 C ATOM 1395 C ASN A 102 14.715 1.960 0.459 1.00 0.00 C ATOM 1396 O ASN A 102 15.291 2.682 -0.357 1.00 0.00 O ATOM 1397 CB ASN A 102 13.305 0.409 -0.906 1.00 0.00 C ATOM 1398 CG ASN A 102 14.060 -0.830 -0.498 1.00 0.00 C ATOM 1399 OD1 ASN A 102 13.995 -1.251 0.654 1.00 0.00 O ATOM 1400 ND2 ASN A 102 14.784 -1.420 -1.432 1.00 0.00 N ATOM 0 H ASN A 102 12.611 2.948 -1.110 1.00 0.00 H new ATOM 0 HA ASN A 102 12.923 1.028 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.279 0.141 -1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.755 0.827 -1.806 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.318 -2.260 -1.209 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.809 -1.036 -2.377 1.00 0.00 H new ATOM 1407 N ASN A 103 15.278 1.556 1.594 1.00 0.00 N ATOM 1408 CA ASN A 103 16.596 2.030 2.005 1.00 0.00 C ATOM 1409 C ASN A 103 17.667 0.957 1.839 1.00 0.00 C ATOM 1410 O ASN A 103 18.856 1.235 2.018 1.00 0.00 O ATOM 1411 CB ASN A 103 16.588 2.487 3.466 1.00 0.00 C ATOM 1412 CG ASN A 103 15.401 3.357 3.830 1.00 0.00 C ATOM 1413 OD1 ASN A 103 15.034 4.277 3.100 1.00 0.00 O ATOM 1414 ND2 ASN A 103 14.800 3.071 4.975 1.00 0.00 N ATOM 0 H ASN A 103 14.843 0.902 2.245 1.00 0.00 H new ATOM 0 HA ASN A 103 16.833 2.872 1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.594 1.609 4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.506 3.038 3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.999 3.623 5.282 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.138 2.299 5.549 1.00 0.00 H new ATOM 1421 N SER A 104 17.266 -0.265 1.513 1.00 0.00 N ATOM 1422 CA SER A 104 18.233 -1.350 1.384 1.00 0.00 C ATOM 1423 C SER A 104 18.998 -1.233 0.067 1.00 0.00 C ATOM 1424 O SER A 104 18.493 -0.677 -0.908 1.00 0.00 O ATOM 1425 CB SER A 104 17.546 -2.717 1.488 1.00 0.00 C ATOM 1426 OG SER A 104 16.252 -2.693 0.916 1.00 0.00 O ATOM 0 H SER A 104 16.297 -0.528 1.336 1.00 0.00 H new ATOM 0 HA SER A 104 18.944 -1.267 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.153 -3.470 0.985 1.00 0.00 H new ATOM 0 HB3 SER A 104 17.476 -3.011 2.535 1.00 0.00 H new ATOM 0 HG SER A 104 15.597 -2.443 1.600 1.00 0.00 H new ATOM 1432 N SER A 105 20.220 -1.744 0.046 1.00 0.00 N ATOM 1433 CA SER A 105 21.080 -1.633 -1.125 1.00 0.00 C ATOM 1434 C SER A 105 20.744 -2.681 -2.184 1.00 0.00 C ATOM 1435 O SER A 105 21.055 -2.508 -3.365 1.00 0.00 O ATOM 1436 CB SER A 105 22.534 -1.784 -0.694 1.00 0.00 C ATOM 1437 OG SER A 105 22.628 -1.855 0.722 1.00 0.00 O ATOM 0 H SER A 105 20.641 -2.242 0.830 1.00 0.00 H new ATOM 0 HA SER A 105 20.916 -0.653 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.960 -2.684 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 105 23.118 -0.940 -1.061 1.00 0.00 H new ATOM 0 HG SER A 105 23.567 -1.954 0.983 1.00 0.00 H new ATOM 1443 N GLU A 106 20.106 -3.761 -1.763 1.00 0.00 N ATOM 1444 CA GLU A 106 19.837 -4.876 -2.653 1.00 0.00 C ATOM 1445 C GLU A 106 18.334 -5.048 -2.878 1.00 0.00 C ATOM 1446 O GLU A 106 17.526 -4.422 -2.192 1.00 0.00 O ATOM 1447 CB GLU A 106 20.478 -6.148 -2.080 1.00 0.00 C ATOM 1448 CG GLU A 106 19.514 -7.100 -1.389 1.00 0.00 C ATOM 1449 CD GLU A 106 19.682 -8.524 -1.873 1.00 0.00 C ATOM 1450 OE1 GLU A 106 19.814 -8.726 -3.101 1.00 0.00 O ATOM 1451 OE2 GLU A 106 19.698 -9.446 -1.030 1.00 0.00 O ATOM 0 H GLU A 106 19.765 -3.888 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 106 20.279 -4.675 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 106 20.975 -6.683 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 106 21.251 -5.858 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 106 19.676 -7.061 -0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 106 18.490 -6.774 -1.570 1.00 0.00 H new ATOM 1458 N THR A 107 17.977 -5.876 -3.857 1.00 0.00 N ATOM 1459 CA THR A 107 16.581 -6.148 -4.175 1.00 0.00 C ATOM 1460 C THR A 107 15.879 -6.823 -3.002 1.00 0.00 C ATOM 1461 O THR A 107 16.128 -7.993 -2.701 1.00 0.00 O ATOM 1462 CB THR A 107 16.477 -7.047 -5.415 1.00 0.00 C ATOM 1463 OG1 THR A 107 17.783 -7.522 -5.775 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.867 -6.290 -6.583 1.00 0.00 C ATOM 0 H THR A 107 18.644 -6.373 -4.448 1.00 0.00 H new ATOM 0 HA THR A 107 16.094 -5.194 -4.379 1.00 0.00 H new ATOM 0 HB THR A 107 15.831 -7.892 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 107 17.715 -8.097 -6.566 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.804 -6.948 -7.450 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.868 -5.948 -6.313 1.00 0.00 H new ATOM 0 HG23 THR A 107 16.491 -5.430 -6.825 1.00 0.00 H new ATOM 1472 N SER A 108 15.015 -6.079 -2.342 1.00 0.00 N ATOM 1473 CA SER A 108 14.331 -6.577 -1.166 1.00 0.00 C ATOM 1474 C SER A 108 12.947 -7.099 -1.516 1.00 0.00 C ATOM 1475 O SER A 108 12.294 -6.596 -2.432 1.00 0.00 O ATOM 1476 CB SER A 108 14.230 -5.462 -0.130 1.00 0.00 C ATOM 1477 OG SER A 108 14.747 -4.251 -0.655 1.00 0.00 O ATOM 0 H SER A 108 14.769 -5.124 -2.601 1.00 0.00 H new ATOM 0 HA SER A 108 14.904 -7.408 -0.754 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.190 -5.323 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.781 -5.741 0.768 1.00 0.00 H new ATOM 0 HG SER A 108 15.374 -3.858 -0.013 1.00 0.00 H new ATOM 1483 N ASN A 109 12.507 -8.115 -0.791 1.00 0.00 N ATOM 1484 CA ASN A 109 11.175 -8.660 -0.978 1.00 0.00 C ATOM 1485 C ASN A 109 10.260 -8.182 0.141 1.00 0.00 C ATOM 1486 O ASN A 109 10.464 -8.516 1.310 1.00 0.00 O ATOM 1487 CB ASN A 109 11.214 -10.193 -1.025 1.00 0.00 C ATOM 1488 CG ASN A 109 9.831 -10.830 -0.953 1.00 0.00 C ATOM 1489 OD1 ASN A 109 9.619 -11.795 -0.224 1.00 0.00 O ATOM 1490 ND2 ASN A 109 8.883 -10.299 -1.707 1.00 0.00 N ATOM 0 H ASN A 109 13.055 -8.579 -0.067 1.00 0.00 H new ATOM 0 HA ASN A 109 10.783 -8.306 -1.931 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.706 -10.510 -1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.820 -10.560 -0.197 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.942 -10.691 -1.694 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.093 -9.497 -2.301 1.00 0.00 H new ATOM 1497 N TYR A 110 9.273 -7.380 -0.217 1.00 0.00 N ATOM 1498 CA TYR A 110 8.329 -6.862 0.756 1.00 0.00 C ATOM 1499 C TYR A 110 7.054 -7.687 0.747 1.00 0.00 C ATOM 1500 O TYR A 110 6.665 -8.230 -0.287 1.00 0.00 O ATOM 1501 CB TYR A 110 8.001 -5.391 0.475 1.00 0.00 C ATOM 1502 CG TYR A 110 7.521 -5.111 -0.936 1.00 0.00 C ATOM 1503 CD1 TYR A 110 8.419 -4.794 -1.950 1.00 0.00 C ATOM 1504 CD2 TYR A 110 6.168 -5.155 -1.250 1.00 0.00 C ATOM 1505 CE1 TYR A 110 7.981 -4.539 -3.235 1.00 0.00 C ATOM 1506 CE2 TYR A 110 5.725 -4.903 -2.533 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.634 -4.593 -3.521 1.00 0.00 C ATOM 1508 OH TYR A 110 6.193 -4.345 -4.801 1.00 0.00 O ATOM 0 H TYR A 110 9.105 -7.073 -1.175 1.00 0.00 H new ATOM 0 HA TYR A 110 8.791 -6.930 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.235 -5.062 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.890 -4.791 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.475 -4.747 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.451 -5.390 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.691 -4.298 -4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.670 -4.949 -2.761 1.00 0.00 H new ATOM 0 HH TYR A 110 5.217 -4.425 -4.832 1.00 0.00 H new ATOM 1518 N SER A 111 6.425 -7.801 1.904 1.00 0.00 N ATOM 1519 CA SER A 111 5.134 -8.457 2.009 1.00 0.00 C ATOM 1520 C SER A 111 4.096 -7.467 2.526 1.00 0.00 C ATOM 1521 O SER A 111 3.869 -7.360 3.731 1.00 0.00 O ATOM 1522 CB SER A 111 5.230 -9.673 2.931 1.00 0.00 C ATOM 1523 OG SER A 111 6.565 -10.148 3.006 1.00 0.00 O ATOM 0 H SER A 111 6.790 -7.446 2.788 1.00 0.00 H new ATOM 0 HA SER A 111 4.826 -8.804 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.878 -9.407 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.578 -10.465 2.563 1.00 0.00 H new ATOM 0 HG SER A 111 6.603 -10.925 3.602 1.00 0.00 H new ATOM 1529 N LEU A 112 3.501 -6.716 1.613 1.00 0.00 N ATOM 1530 CA LEU A 112 2.511 -5.715 1.978 1.00 0.00 C ATOM 1531 C LEU A 112 1.141 -6.354 2.145 1.00 0.00 C ATOM 1532 O LEU A 112 0.445 -6.612 1.164 1.00 0.00 O ATOM 1533 CB LEU A 112 2.444 -4.624 0.907 1.00 0.00 C ATOM 1534 CG LEU A 112 2.760 -3.207 1.388 1.00 0.00 C ATOM 1535 CD1 LEU A 112 2.634 -2.220 0.237 1.00 0.00 C ATOM 1536 CD2 LEU A 112 1.841 -2.811 2.532 1.00 0.00 C ATOM 0 H LEU A 112 3.687 -6.781 0.612 1.00 0.00 H new ATOM 0 HA LEU A 112 2.809 -5.269 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.139 -4.881 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.444 -4.627 0.473 1.00 0.00 H new ATOM 0 HG LEU A 112 3.787 -3.187 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.861 -1.215 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.333 -2.492 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.617 -2.245 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.082 -1.800 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.805 -2.846 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.976 -3.503 3.363 1.00 0.00 H new ATOM 1548 N ASP A 113 0.762 -6.613 3.384 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.547 -7.183 3.676 1.00 0.00 C ATOM 1550 C ASP A 113 -1.569 -6.069 3.839 1.00 0.00 C ATOM 1551 O ASP A 113 -1.629 -5.419 4.885 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.500 -8.032 4.950 1.00 0.00 C ATOM 1553 CG ASP A 113 -0.333 -9.510 4.670 1.00 0.00 C ATOM 1554 OD1 ASP A 113 -1.191 -10.094 3.979 1.00 0.00 O ATOM 1555 OD2 ASP A 113 0.660 -10.101 5.153 1.00 0.00 O ATOM 0 H ASP A 113 1.340 -6.439 4.206 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.836 -7.825 2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.324 -7.691 5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.418 -7.877 5.518 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.353 -5.834 2.801 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.342 -4.767 2.821 1.00 0.00 C ATOM 1562 C ALA A 114 -4.724 -5.302 2.481 1.00 0.00 C ATOM 1563 O ALA A 114 -4.864 -6.191 1.642 1.00 0.00 O ATOM 1564 CB ALA A 114 -2.948 -3.664 1.849 1.00 0.00 C ATOM 0 H ALA A 114 -2.325 -6.368 1.932 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.376 -4.352 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.697 -2.872 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.979 -3.256 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.886 -4.073 0.840 1.00 0.00 H new ATOM 1570 N THR A 115 -5.747 -4.754 3.114 1.00 0.00 N ATOM 1571 CA THR A 115 -7.109 -5.195 2.860 1.00 0.00 C ATOM 1572 C THR A 115 -7.719 -4.390 1.718 1.00 0.00 C ATOM 1573 O THR A 115 -8.344 -3.351 1.932 1.00 0.00 O ATOM 1574 CB THR A 115 -7.981 -5.064 4.121 1.00 0.00 C ATOM 1575 OG1 THR A 115 -7.146 -4.957 5.279 1.00 0.00 O ATOM 1576 CG2 THR A 115 -8.911 -6.261 4.268 1.00 0.00 C ATOM 0 H THR A 115 -5.662 -4.007 3.804 1.00 0.00 H new ATOM 0 HA THR A 115 -7.074 -6.247 2.578 1.00 0.00 H new ATOM 0 HB THR A 115 -8.590 -4.165 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 115 -7.706 -4.872 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.516 -6.143 5.167 1.00 0.00 H new ATOM 0 HG22 THR A 115 -9.563 -6.324 3.397 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.320 -7.174 4.345 1.00 0.00 H new