USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=12 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 Single : A 7 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -168:sc= 0.0269 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 27 ASN : amide:sc= 0.792 K(o=0.79,f=-0.56) USER MOD Single : A 28 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.6!) USER MOD Single : A 31 ASN : amide:sc= -0.0497 X(o=-0.05,f=-0.47) USER MOD Single : A 47 GLN : amide:sc= -0.68 K(o=-0.68,f=-4!) USER MOD Single : A 48 TYR OH : rot -14:sc= -2.52 USER MOD Single : A 50 MET CE :methyl 169:sc= -6.43! (180deg=-6.52!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -3.32 F(o=-4.3!,f=-3.3) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -10:sc= -1.06 USER MOD Single : A 77 MET CE :methyl 173:sc= -9.77! (180deg=-10.6!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.84! C(o=-1.8!,f=-3.9!) USER MOD Single : A 87 TYR OH : rot -47:sc= 0.172 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.337 K(o=-0.34,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 -12.071 5.345 4.557 1.00 0.00 N ATOM 93 CA GLN A 7 -11.756 5.047 3.170 1.00 0.00 C ATOM 94 C GLN A 7 -10.919 6.175 2.561 1.00 0.00 C ATOM 95 O GLN A 7 -11.458 7.209 2.168 1.00 0.00 O ATOM 96 CB GLN A 7 -13.030 4.810 2.357 1.00 0.00 C ATOM 97 CG GLN A 7 -12.835 3.674 1.351 1.00 0.00 C ATOM 98 CD GLN A 7 -14.014 2.700 1.388 1.00 0.00 C ATOM 99 OE1 GLN A 7 -14.710 2.565 2.381 1.00 0.00 O ATOM 100 NE2 GLN A 7 -14.199 2.031 0.254 1.00 0.00 N ATOM 0 HA GLN A 7 -11.169 4.129 3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -13.854 4.569 3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.305 5.724 1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.731 4.086 0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.911 3.141 1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.579 2.192 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.961 1.357 0.178 1.00 0.00 H new ATOM 109 N PHE A 8 -9.617 5.938 2.504 1.00 0.00 N ATOM 110 CA PHE A 8 -8.701 6.921 1.950 1.00 0.00 C ATOM 111 C PHE A 8 -8.738 6.904 0.421 1.00 0.00 C ATOM 112 O PHE A 8 -8.631 5.844 -0.195 1.00 0.00 O ATOM 113 CB PHE A 8 -7.297 6.537 2.419 1.00 0.00 C ATOM 114 CG PHE A 8 -6.176 7.053 1.514 1.00 0.00 C ATOM 115 CD1 PHE A 8 -6.262 8.295 0.965 1.00 0.00 C ATOM 116 CD2 PHE A 8 -5.093 6.271 1.258 1.00 0.00 C ATOM 117 CE1 PHE A 8 -5.222 8.774 0.125 1.00 0.00 C ATOM 118 CE2 PHE A 8 -4.053 6.750 0.419 1.00 0.00 C ATOM 119 CZ PHE A 8 -4.140 7.991 -0.130 1.00 0.00 C ATOM 0 H PHE A 8 -9.174 5.080 2.832 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.982 7.921 2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.143 6.923 3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.230 5.451 2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.121 8.917 1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.024 5.285 1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.290 9.760 -0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.193 6.129 0.217 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.349 8.355 -0.769 1.00 0.00 H new ATOM 129 N ILE A 9 -8.889 8.091 -0.149 1.00 0.00 N ATOM 130 CA ILE A 9 -8.941 8.226 -1.595 1.00 0.00 C ATOM 131 C ILE A 9 -7.537 8.036 -2.171 1.00 0.00 C ATOM 132 O ILE A 9 -6.662 8.878 -1.975 1.00 0.00 O ATOM 133 CB ILE A 9 -9.592 9.554 -1.986 1.00 0.00 C ATOM 134 CG1 ILE A 9 -10.916 9.754 -1.246 1.00 0.00 C ATOM 135 CG2 ILE A 9 -9.762 9.656 -3.503 1.00 0.00 C ATOM 136 CD1 ILE A 9 -11.996 8.816 -1.791 1.00 0.00 C ATOM 0 H ILE A 9 -8.977 8.968 0.365 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.571 7.449 -2.028 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.928 10.363 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.773 9.570 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.242 10.789 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.227 10.609 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.786 9.591 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.394 8.841 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.927 8.979 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.154 9.019 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.677 7.781 -1.664 1.00 0.00 H new ATOM 148 N PHE A 10 -7.364 6.924 -2.871 1.00 0.00 N ATOM 149 CA PHE A 10 -6.081 6.613 -3.477 1.00 0.00 C ATOM 150 C PHE A 10 -6.249 5.647 -4.652 1.00 0.00 C ATOM 151 O PHE A 10 -7.164 4.825 -4.658 1.00 0.00 O ATOM 152 CB PHE A 10 -5.227 5.943 -2.399 1.00 0.00 C ATOM 153 CG PHE A 10 -3.721 6.037 -2.650 1.00 0.00 C ATOM 154 CD1 PHE A 10 -3.176 7.203 -3.090 1.00 0.00 C ATOM 155 CD2 PHE A 10 -2.926 4.955 -2.432 1.00 0.00 C ATOM 156 CE1 PHE A 10 -1.778 7.290 -3.323 1.00 0.00 C ATOM 157 CE2 PHE A 10 -1.528 5.042 -2.665 1.00 0.00 C ATOM 158 CZ PHE A 10 -0.984 6.208 -3.105 1.00 0.00 C ATOM 0 H PHE A 10 -8.092 6.227 -3.032 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.618 7.525 -3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.453 6.399 -1.435 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.508 4.892 -2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.807 8.063 -3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.358 4.029 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.345 8.216 -3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.897 4.183 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.079 6.275 -3.281 1.00 0.00 H new ATOM 168 N LYS A 11 -5.351 5.777 -5.617 1.00 0.00 N ATOM 169 CA LYS A 11 -5.388 4.926 -6.794 1.00 0.00 C ATOM 170 C LYS A 11 -3.973 4.438 -7.110 1.00 0.00 C ATOM 171 O LYS A 11 -3.119 5.223 -7.521 1.00 0.00 O ATOM 172 CB LYS A 11 -6.063 5.651 -7.959 1.00 0.00 C ATOM 173 CG LYS A 11 -7.489 6.070 -7.593 1.00 0.00 C ATOM 174 CD LYS A 11 -8.479 4.934 -7.860 1.00 0.00 C ATOM 175 CE LYS A 11 -9.800 5.175 -7.126 1.00 0.00 C ATOM 176 NZ LYS A 11 -10.886 4.379 -7.740 1.00 0.00 N ATOM 0 H LYS A 11 -4.593 6.459 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.996 4.041 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.480 6.531 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.085 5.000 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.530 6.354 -6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.774 6.949 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.664 4.852 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.047 3.987 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.693 4.906 -6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.054 6.235 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.775 4.554 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.998 4.655 -8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.649 3.368 -7.685 1.00 0.00 H new ATOM 190 N VAL A 12 -3.768 3.145 -6.907 1.00 0.00 N ATOM 191 CA VAL A 12 -2.471 2.543 -7.166 1.00 0.00 C ATOM 192 C VAL A 12 -2.589 1.571 -8.342 1.00 0.00 C ATOM 193 O VAL A 12 -3.598 0.881 -8.482 1.00 0.00 O ATOM 194 CB VAL A 12 -1.939 1.880 -5.894 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.400 0.424 -5.800 1.00 0.00 C ATOM 196 CG2 VAL A 12 -0.414 1.978 -5.821 1.00 0.00 C ATOM 0 H VAL A 12 -4.478 2.497 -6.566 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.745 3.306 -7.447 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.350 2.417 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.008 -0.024 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.489 0.388 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.032 -0.131 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.062 1.499 -4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.024 1.478 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.116 3.027 -5.819 1.00 0.00 H new ATOM 206 N THR A 13 -1.545 1.549 -9.157 1.00 0.00 N ATOM 207 CA THR A 13 -1.520 0.673 -10.316 1.00 0.00 C ATOM 208 C THR A 13 -1.599 -0.791 -9.880 1.00 0.00 C ATOM 209 O THR A 13 -1.635 -1.086 -8.687 1.00 0.00 O ATOM 210 CB THR A 13 -0.264 0.999 -11.127 1.00 0.00 C ATOM 211 OG1 THR A 13 0.810 0.613 -10.273 1.00 0.00 O ATOM 212 CG2 THR A 13 -0.064 2.503 -11.320 1.00 0.00 C ATOM 0 H THR A 13 -0.711 2.123 -9.038 1.00 0.00 H new ATOM 0 HA THR A 13 -2.388 0.836 -10.954 1.00 0.00 H new ATOM 0 HB THR A 13 -0.326 0.514 -12.101 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.654 0.960 -10.631 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.841 2.678 -11.902 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.921 2.919 -11.849 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.031 2.985 -10.347 1.00 0.00 H new ATOM 220 N ASP A 14 -1.624 -1.670 -10.872 1.00 0.00 N ATOM 221 CA ASP A 14 -1.698 -3.096 -10.606 1.00 0.00 C ATOM 222 C ASP A 14 -0.301 -3.622 -10.269 1.00 0.00 C ATOM 223 O ASP A 14 -0.163 -4.630 -9.578 1.00 0.00 O ATOM 224 CB ASP A 14 -2.208 -3.859 -11.830 1.00 0.00 C ATOM 225 CG ASP A 14 -3.586 -4.503 -11.663 1.00 0.00 C ATOM 226 OD1 ASP A 14 -3.693 -5.398 -10.798 1.00 0.00 O ATOM 227 OD2 ASP A 14 -4.501 -4.085 -12.405 1.00 0.00 O ATOM 0 H ASP A 14 -1.594 -1.421 -11.861 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.386 -3.248 -9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.244 -3.174 -12.677 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.488 -4.638 -12.080 1.00 0.00 H new ATOM 232 N LYS A 15 0.699 -2.915 -10.774 1.00 0.00 N ATOM 233 CA LYS A 15 2.081 -3.298 -10.536 1.00 0.00 C ATOM 234 C LYS A 15 2.397 -3.148 -9.047 1.00 0.00 C ATOM 235 O LYS A 15 2.944 -4.061 -8.430 1.00 0.00 O ATOM 236 CB LYS A 15 3.021 -2.505 -11.447 1.00 0.00 C ATOM 237 CG LYS A 15 3.995 -3.436 -12.171 1.00 0.00 C ATOM 238 CD LYS A 15 3.266 -4.296 -13.205 1.00 0.00 C ATOM 239 CE LYS A 15 4.211 -5.329 -13.823 1.00 0.00 C ATOM 240 NZ LYS A 15 3.441 -6.409 -14.480 1.00 0.00 N ATOM 0 H LYS A 15 0.580 -2.079 -11.347 1.00 0.00 H new ATOM 0 HA LYS A 15 2.236 -4.346 -10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.438 -1.943 -12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.578 -1.778 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.769 -2.847 -12.663 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.496 -4.078 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.425 -4.804 -12.733 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.855 -3.659 -13.988 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.863 -4.845 -14.550 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.854 -5.751 -13.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.098 -7.101 -14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.837 -6.882 -13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.846 -6.004 -15.231 1.00 0.00 H new ATOM 254 N ALA A 16 2.039 -1.990 -8.512 1.00 0.00 N ATOM 255 CA ALA A 16 2.278 -1.709 -7.106 1.00 0.00 C ATOM 256 C ALA A 16 1.693 -2.840 -6.258 1.00 0.00 C ATOM 257 O ALA A 16 2.408 -3.476 -5.486 1.00 0.00 O ATOM 258 CB ALA A 16 1.685 -0.345 -6.750 1.00 0.00 C ATOM 0 H ALA A 16 1.585 -1.235 -9.027 1.00 0.00 H new ATOM 0 HA ALA A 16 3.347 -1.662 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.864 -0.134 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.156 0.427 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.612 -0.354 -6.941 1.00 0.00 H new ATOM 264 N VAL A 17 0.397 -3.055 -6.430 1.00 0.00 N ATOM 265 CA VAL A 17 -0.294 -4.098 -5.690 1.00 0.00 C ATOM 266 C VAL A 17 0.418 -5.433 -5.915 1.00 0.00 C ATOM 267 O VAL A 17 0.622 -6.198 -4.973 1.00 0.00 O ATOM 268 CB VAL A 17 -1.770 -4.133 -6.089 1.00 0.00 C ATOM 269 CG1 VAL A 17 -2.342 -5.545 -5.951 1.00 0.00 C ATOM 270 CG2 VAL A 17 -2.584 -3.129 -5.270 1.00 0.00 C ATOM 0 H VAL A 17 -0.193 -2.525 -7.071 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.266 -3.890 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.840 -3.844 -7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.393 -5.542 -6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.789 -6.226 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.252 -5.874 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.630 -3.175 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.503 -3.373 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.200 -2.123 -5.441 1.00 0.00 H new ATOM 280 N GLU A 18 0.777 -5.673 -7.168 1.00 0.00 N ATOM 281 CA GLU A 18 1.462 -6.903 -7.528 1.00 0.00 C ATOM 282 C GLU A 18 2.791 -7.010 -6.777 1.00 0.00 C ATOM 283 O GLU A 18 3.225 -8.107 -6.429 1.00 0.00 O ATOM 284 CB GLU A 18 1.678 -6.987 -9.040 1.00 0.00 C ATOM 285 CG GLU A 18 0.715 -7.991 -9.677 1.00 0.00 C ATOM 286 CD GLU A 18 1.248 -8.483 -11.024 1.00 0.00 C ATOM 287 OE1 GLU A 18 0.936 -7.818 -12.035 1.00 0.00 O ATOM 288 OE2 GLU A 18 1.955 -9.514 -11.013 1.00 0.00 O ATOM 0 H GLU A 18 0.606 -5.036 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 18 0.834 -7.745 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.532 -6.004 -9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.706 -7.282 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.572 -8.839 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.261 -7.526 -9.816 1.00 0.00 H new ATOM 295 N GLU A 19 3.400 -5.855 -6.550 1.00 0.00 N ATOM 296 CA GLU A 19 4.670 -5.805 -5.846 1.00 0.00 C ATOM 297 C GLU A 19 4.490 -6.243 -4.392 1.00 0.00 C ATOM 298 O GLU A 19 5.350 -6.922 -3.832 1.00 0.00 O ATOM 299 CB GLU A 19 5.287 -4.407 -5.926 1.00 0.00 C ATOM 300 CG GLU A 19 6.581 -4.332 -5.114 1.00 0.00 C ATOM 301 CD GLU A 19 7.793 -4.678 -5.981 1.00 0.00 C ATOM 302 OE1 GLU A 19 8.100 -5.886 -6.071 1.00 0.00 O ATOM 303 OE2 GLU A 19 8.385 -3.726 -6.535 1.00 0.00 O ATOM 0 H GLU A 19 3.037 -4.947 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 19 5.358 -6.498 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.491 -4.155 -6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.576 -3.670 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.698 -3.330 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.525 -5.019 -4.270 1.00 0.00 H new ATOM 310 N ILE A 20 3.365 -5.837 -3.820 1.00 0.00 N ATOM 311 CA ILE A 20 3.061 -6.179 -2.441 1.00 0.00 C ATOM 312 C ILE A 20 2.663 -7.654 -2.362 1.00 0.00 C ATOM 313 O ILE A 20 3.076 -8.364 -1.446 1.00 0.00 O ATOM 314 CB ILE A 20 2.007 -5.226 -1.873 1.00 0.00 C ATOM 315 CG1 ILE A 20 2.120 -3.840 -2.512 1.00 0.00 C ATOM 316 CG2 ILE A 20 2.090 -5.163 -0.347 1.00 0.00 C ATOM 317 CD1 ILE A 20 3.584 -3.424 -2.663 1.00 0.00 C ATOM 0 H ILE A 20 2.654 -5.275 -4.287 1.00 0.00 H new ATOM 0 HA ILE A 20 3.943 -6.053 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 20 1.021 -5.617 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.637 -3.846 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.592 -3.109 -1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.330 -4.479 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.922 -6.157 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.077 -4.808 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.636 -2.436 -3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.057 -3.396 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.103 -4.144 -3.296 1.00 0.00 H new ATOM 329 N LYS A 21 1.865 -8.072 -3.334 1.00 0.00 N ATOM 330 CA LYS A 21 1.407 -9.450 -3.386 1.00 0.00 C ATOM 331 C LYS A 21 2.608 -10.375 -3.592 1.00 0.00 C ATOM 332 O LYS A 21 2.682 -11.445 -2.989 1.00 0.00 O ATOM 333 CB LYS A 21 0.316 -9.612 -4.447 1.00 0.00 C ATOM 334 CG LYS A 21 -1.025 -9.078 -3.941 1.00 0.00 C ATOM 335 CD LYS A 21 -2.182 -9.952 -4.429 1.00 0.00 C ATOM 336 CE LYS A 21 -2.675 -9.493 -5.802 1.00 0.00 C ATOM 337 NZ LYS A 21 -1.925 -10.179 -6.878 1.00 0.00 N ATOM 0 H LYS A 21 1.524 -7.480 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 21 0.945 -9.734 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.604 -9.081 -5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.215 -10.664 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.021 -9.049 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.167 -8.054 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.859 -10.992 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.002 -9.910 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.740 -9.704 -5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.553 -8.414 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.306 -9.894 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.920 -9.917 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.021 -11.208 -6.766 1.00 0.00 H new ATOM 351 N LYS A 22 3.518 -9.929 -4.445 1.00 0.00 N ATOM 352 CA LYS A 22 4.712 -10.704 -4.738 1.00 0.00 C ATOM 353 C LYS A 22 5.621 -10.717 -3.507 1.00 0.00 C ATOM 354 O LYS A 22 6.056 -11.778 -3.064 1.00 0.00 O ATOM 355 CB LYS A 22 5.396 -10.177 -6.001 1.00 0.00 C ATOM 356 CG LYS A 22 6.897 -10.473 -5.976 1.00 0.00 C ATOM 357 CD LYS A 22 7.413 -10.807 -7.378 1.00 0.00 C ATOM 358 CE LYS A 22 8.904 -10.486 -7.503 1.00 0.00 C ATOM 359 NZ LYS A 22 9.345 -10.614 -8.910 1.00 0.00 N ATOM 0 H LYS A 22 3.453 -9.041 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 22 4.450 -11.740 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.946 -10.636 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.235 -9.102 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.435 -9.611 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.096 -11.307 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.246 -11.863 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.852 -10.240 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.095 -9.474 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.482 -11.161 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.359 -10.393 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.180 -11.587 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.806 -9.952 -9.504 1.00 0.00 H new ATOM 373 N VAL A 23 5.881 -9.525 -2.990 1.00 0.00 N ATOM 374 CA VAL A 23 6.730 -9.386 -1.819 1.00 0.00 C ATOM 375 C VAL A 23 6.218 -10.308 -0.711 1.00 0.00 C ATOM 376 O VAL A 23 6.996 -11.035 -0.095 1.00 0.00 O ATOM 377 CB VAL A 23 6.796 -7.918 -1.392 1.00 0.00 C ATOM 378 CG1 VAL A 23 7.042 -7.795 0.113 1.00 0.00 C ATOM 379 CG2 VAL A 23 7.865 -7.164 -2.185 1.00 0.00 C ATOM 0 H VAL A 23 5.519 -8.647 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 23 7.751 -9.690 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 23 5.831 -7.462 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.085 -6.742 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.230 -8.280 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.987 -8.275 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.891 -6.123 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.838 -7.623 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.628 -7.208 -3.248 1.00 0.00 H new ATOM 389 N ALA A 24 4.913 -10.249 -0.491 1.00 0.00 N ATOM 390 CA ALA A 24 4.288 -11.070 0.532 1.00 0.00 C ATOM 391 C ALA A 24 4.358 -12.540 0.113 1.00 0.00 C ATOM 392 O ALA A 24 4.647 -13.409 0.933 1.00 0.00 O ATOM 393 CB ALA A 24 2.851 -10.596 0.760 1.00 0.00 C ATOM 0 H ALA A 24 4.271 -9.645 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 24 4.818 -10.972 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.382 -11.212 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.858 -9.555 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.288 -10.683 -0.169 1.00 0.00 H new ATOM 399 N GLN A 25 4.087 -12.772 -1.163 1.00 0.00 N ATOM 400 CA GLN A 25 4.115 -14.121 -1.701 1.00 0.00 C ATOM 401 C GLN A 25 5.482 -14.763 -1.451 1.00 0.00 C ATOM 402 O GLN A 25 5.574 -15.971 -1.236 1.00 0.00 O ATOM 403 CB GLN A 25 3.772 -14.125 -3.191 1.00 0.00 C ATOM 404 CG GLN A 25 2.319 -14.547 -3.418 1.00 0.00 C ATOM 405 CD GLN A 25 1.966 -14.521 -4.907 1.00 0.00 C ATOM 406 OE1 GLN A 25 2.820 -14.419 -5.772 1.00 0.00 O ATOM 407 NE2 GLN A 25 0.663 -14.617 -5.156 1.00 0.00 N ATOM 0 H GLN A 25 3.847 -12.048 -1.840 1.00 0.00 H new ATOM 0 HA GLN A 25 3.357 -14.712 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.935 -13.131 -3.608 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.439 -14.806 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.162 -15.550 -3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.653 -13.879 -2.871 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.001 -14.700 -4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.326 -14.608 -6.119 1.00 0.00 H new ATOM 416 N GLU A 26 6.509 -13.927 -1.488 1.00 0.00 N ATOM 417 CA GLU A 26 7.866 -14.398 -1.269 1.00 0.00 C ATOM 418 C GLU A 26 8.138 -14.554 0.229 1.00 0.00 C ATOM 419 O GLU A 26 9.174 -15.088 0.623 1.00 0.00 O ATOM 420 CB GLU A 26 8.884 -13.457 -1.916 1.00 0.00 C ATOM 421 CG GLU A 26 9.859 -14.232 -2.805 1.00 0.00 C ATOM 422 CD GLU A 26 11.138 -13.428 -3.046 1.00 0.00 C ATOM 423 OE1 GLU A 26 11.848 -13.178 -2.049 1.00 0.00 O ATOM 424 OE2 GLU A 26 11.377 -13.081 -4.224 1.00 0.00 O ATOM 0 H GLU A 26 6.429 -12.926 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 26 7.972 -15.375 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.364 -12.705 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.437 -12.925 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.107 -15.184 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.384 -14.461 -3.759 1.00 0.00 H new ATOM 431 N ASN A 27 7.189 -14.079 1.023 1.00 0.00 N ATOM 432 CA ASN A 27 7.314 -14.159 2.468 1.00 0.00 C ATOM 433 C ASN A 27 6.331 -15.203 3.003 1.00 0.00 C ATOM 434 O ASN A 27 6.395 -15.579 4.173 1.00 0.00 O ATOM 435 CB ASN A 27 6.983 -12.818 3.125 1.00 0.00 C ATOM 436 CG ASN A 27 8.196 -11.886 3.111 1.00 0.00 C ATOM 437 OD1 ASN A 27 9.137 -12.038 3.872 1.00 0.00 O ATOM 438 ND2 ASN A 27 8.122 -10.915 2.204 1.00 0.00 N ATOM 0 H ASN A 27 6.331 -13.638 0.693 1.00 0.00 H new ATOM 0 HA ASN A 27 8.343 -14.431 2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.152 -12.347 2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.658 -12.983 4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.882 -10.241 2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.305 -10.845 1.598 1.00 0.00 H new ATOM 445 N ASN A 28 5.444 -15.641 2.122 1.00 0.00 N ATOM 446 CA ASN A 28 4.449 -16.633 2.491 1.00 0.00 C ATOM 447 C ASN A 28 3.321 -15.954 3.269 1.00 0.00 C ATOM 448 O ASN A 28 2.672 -16.582 4.104 1.00 0.00 O ATOM 449 CB ASN A 28 5.057 -17.715 3.386 1.00 0.00 C ATOM 450 CG ASN A 28 4.417 -19.078 3.111 1.00 0.00 C ATOM 451 OD1 ASN A 28 3.740 -19.285 2.118 1.00 0.00 O ATOM 452 ND2 ASN A 28 4.669 -19.992 4.043 1.00 0.00 N ATOM 0 H ASN A 28 5.394 -15.327 1.153 1.00 0.00 H new ATOM 0 HA ASN A 28 4.073 -17.091 1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.132 -17.773 3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.916 -17.448 4.433 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.287 -20.933 3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.244 -19.752 4.850 1.00 0.00 H new ATOM 459 N ILE A 29 3.122 -14.679 2.968 1.00 0.00 N ATOM 460 CA ILE A 29 2.084 -13.907 3.629 1.00 0.00 C ATOM 461 C ILE A 29 0.854 -13.831 2.721 1.00 0.00 C ATOM 462 O ILE A 29 0.983 -13.787 1.498 1.00 0.00 O ATOM 463 CB ILE A 29 2.620 -12.538 4.052 1.00 0.00 C ATOM 464 CG1 ILE A 29 3.881 -12.684 4.907 1.00 0.00 C ATOM 465 CG2 ILE A 29 1.539 -11.720 4.760 1.00 0.00 C ATOM 466 CD1 ILE A 29 4.691 -11.386 4.916 1.00 0.00 C ATOM 0 H ILE A 29 3.662 -14.161 2.275 1.00 0.00 H new ATOM 0 HA ILE A 29 1.772 -14.400 4.550 1.00 0.00 H new ATOM 0 HB ILE A 29 2.901 -11.989 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.604 -12.951 5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.495 -13.497 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.947 -10.752 5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.695 -11.571 4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.203 -12.253 5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.582 -11.517 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.987 -11.135 3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.082 -10.580 5.326 1.00 0.00 H new ATOM 478 N GLU A 30 -0.309 -13.819 3.354 1.00 0.00 N ATOM 479 CA GLU A 30 -1.561 -13.750 2.618 1.00 0.00 C ATOM 480 C GLU A 30 -2.343 -12.498 3.019 1.00 0.00 C ATOM 481 O GLU A 30 -3.504 -12.340 2.643 1.00 0.00 O ATOM 482 CB GLU A 30 -2.397 -15.012 2.838 1.00 0.00 C ATOM 483 CG GLU A 30 -2.664 -15.730 1.514 1.00 0.00 C ATOM 484 CD GLU A 30 -2.962 -17.213 1.745 1.00 0.00 C ATOM 485 OE1 GLU A 30 -2.255 -17.810 2.585 1.00 0.00 O ATOM 486 OE2 GLU A 30 -3.889 -17.717 1.075 1.00 0.00 O ATOM 0 H GLU A 30 -0.412 -13.856 4.368 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.332 -13.687 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.876 -15.683 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.343 -14.748 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.506 -15.261 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.799 -15.627 0.859 1.00 0.00 H new ATOM 493 N ASN A 31 -1.676 -11.639 3.777 1.00 0.00 N ATOM 494 CA ASN A 31 -2.295 -10.406 4.232 1.00 0.00 C ATOM 495 C ASN A 31 -1.216 -9.336 4.414 1.00 0.00 C ATOM 496 O ASN A 31 -0.945 -8.907 5.535 1.00 0.00 O ATOM 497 CB ASN A 31 -2.995 -10.605 5.578 1.00 0.00 C ATOM 498 CG ASN A 31 -2.232 -11.605 6.450 1.00 0.00 C ATOM 499 OD1 ASN A 31 -2.304 -12.809 6.266 1.00 0.00 O ATOM 500 ND2 ASN A 31 -1.501 -11.041 7.407 1.00 0.00 N ATOM 0 H ASN A 31 -0.714 -11.773 4.087 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.029 -10.101 3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.072 -9.649 6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.012 -10.962 5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.956 -11.623 8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.486 -10.026 7.506 1.00 0.00 H new ATOM 507 N PRO A 32 -0.614 -8.926 3.266 1.00 0.00 N ATOM 508 CA PRO A 32 0.429 -7.915 3.288 1.00 0.00 C ATOM 509 C PRO A 32 -0.162 -6.522 3.516 1.00 0.00 C ATOM 510 O PRO A 32 -1.107 -6.126 2.836 1.00 0.00 O ATOM 511 CB PRO A 32 1.135 -8.049 1.948 1.00 0.00 C ATOM 512 CG PRO A 32 0.175 -8.806 1.045 1.00 0.00 C ATOM 513 CD PRO A 32 -0.909 -9.412 1.921 1.00 0.00 C ATOM 0 HA PRO A 32 1.132 -8.054 4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.372 -7.070 1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.077 -8.587 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.262 -8.135 0.305 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.702 -9.586 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.901 -9.100 1.596 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.888 -10.501 1.880 1.00 0.00 H new ATOM 521 N ILE A 33 0.420 -5.818 4.476 1.00 0.00 N ATOM 522 CA ILE A 33 -0.037 -4.478 4.802 1.00 0.00 C ATOM 523 C ILE A 33 0.935 -3.454 4.213 1.00 0.00 C ATOM 524 O ILE A 33 2.097 -3.396 4.611 1.00 0.00 O ATOM 525 CB ILE A 33 -0.241 -4.334 6.312 1.00 0.00 C ATOM 526 CG1 ILE A 33 -1.408 -5.199 6.793 1.00 0.00 C ATOM 527 CG2 ILE A 33 -0.416 -2.866 6.704 1.00 0.00 C ATOM 528 CD1 ILE A 33 -1.486 -5.215 8.320 1.00 0.00 C ATOM 0 H ILE A 33 1.204 -6.150 5.038 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.011 -4.288 4.352 1.00 0.00 H new ATOM 0 HB ILE A 33 0.656 -4.696 6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.342 -4.817 6.382 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.289 -6.217 6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.559 -2.792 7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.473 -2.304 6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.286 -2.454 6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.324 -5.837 8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.560 -5.620 8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.630 -4.199 8.688 1.00 0.00 H new ATOM 540 N LEU A 34 0.423 -2.672 3.274 1.00 0.00 N ATOM 541 CA LEU A 34 1.232 -1.654 2.625 1.00 0.00 C ATOM 542 C LEU A 34 1.083 -0.332 3.382 1.00 0.00 C ATOM 543 O LEU A 34 -0.005 0.240 3.430 1.00 0.00 O ATOM 544 CB LEU A 34 0.880 -1.555 1.140 1.00 0.00 C ATOM 545 CG LEU A 34 1.898 -0.832 0.256 1.00 0.00 C ATOM 546 CD1 LEU A 34 3.288 -1.456 0.397 1.00 0.00 C ATOM 547 CD2 LEU A 34 1.431 -0.797 -1.201 1.00 0.00 C ATOM 0 H LEU A 34 -0.542 -2.723 2.947 1.00 0.00 H new ATOM 0 HA LEU A 34 2.287 -1.926 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.743 -2.564 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.079 -1.045 1.047 1.00 0.00 H new ATOM 0 HG LEU A 34 1.973 0.201 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.992 -0.923 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.615 -1.386 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.248 -2.504 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.172 -0.278 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.310 -1.816 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.478 -0.272 -1.265 1.00 0.00 H new ATOM 559 N ARG A 35 2.192 0.114 3.954 1.00 0.00 N ATOM 560 CA ARG A 35 2.198 1.357 4.706 1.00 0.00 C ATOM 561 C ARG A 35 2.906 2.455 3.909 1.00 0.00 C ATOM 562 O ARG A 35 3.869 2.186 3.194 1.00 0.00 O ATOM 563 CB ARG A 35 2.900 1.182 6.054 1.00 0.00 C ATOM 564 CG ARG A 35 4.420 1.197 5.887 1.00 0.00 C ATOM 565 CD ARG A 35 5.120 0.863 7.206 1.00 0.00 C ATOM 566 NE ARG A 35 6.323 1.710 7.369 1.00 0.00 N ATOM 567 CZ ARG A 35 7.117 1.687 8.448 1.00 0.00 C ATOM 568 NH1 ARG A 35 6.841 0.859 9.465 1.00 0.00 N ATOM 569 NH2 ARG A 35 8.187 2.491 8.510 1.00 0.00 N ATOM 0 H ARG A 35 3.092 -0.363 3.912 1.00 0.00 H new ATOM 0 HA ARG A 35 1.161 1.642 4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.597 1.980 6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.590 0.242 6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.713 0.476 5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.742 2.179 5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.437 1.023 8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.402 -0.190 7.221 1.00 0.00 H new ATOM 0 HE ARG A 35 6.562 2.351 6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.027 0.247 9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.445 0.841 10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.397 3.121 7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.791 2.473 9.332 1.00 0.00 H new ATOM 583 N ILE A 36 2.399 3.671 4.060 1.00 0.00 N ATOM 584 CA ILE A 36 2.971 4.811 3.363 1.00 0.00 C ATOM 585 C ILE A 36 3.815 5.630 4.342 1.00 0.00 C ATOM 586 O ILE A 36 3.363 5.949 5.441 1.00 0.00 O ATOM 587 CB ILE A 36 1.873 5.621 2.671 1.00 0.00 C ATOM 588 CG1 ILE A 36 1.286 4.849 1.487 1.00 0.00 C ATOM 589 CG2 ILE A 36 2.388 7.001 2.257 1.00 0.00 C ATOM 590 CD1 ILE A 36 2.217 4.915 0.274 1.00 0.00 C ATOM 0 H ILE A 36 1.600 3.891 4.654 1.00 0.00 H new ATOM 0 HA ILE A 36 3.638 4.477 2.568 1.00 0.00 H new ATOM 0 HB ILE A 36 1.064 5.780 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.125 3.809 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.312 5.263 1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.588 7.556 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.720 7.546 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.224 6.885 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.777 4.359 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.356 5.955 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.182 4.479 0.532 1.00 0.00 H new ATOM 602 N ARG A 37 5.026 5.947 3.908 1.00 0.00 N ATOM 603 CA ARG A 37 5.937 6.723 4.732 1.00 0.00 C ATOM 604 C ARG A 37 6.835 7.596 3.853 1.00 0.00 C ATOM 605 O ARG A 37 7.599 7.082 3.037 1.00 0.00 O ATOM 606 CB ARG A 37 6.811 5.811 5.595 1.00 0.00 C ATOM 607 CG ARG A 37 6.736 6.214 7.069 1.00 0.00 C ATOM 608 CD ARG A 37 8.001 6.959 7.499 1.00 0.00 C ATOM 609 NE ARG A 37 9.128 6.008 7.632 1.00 0.00 N ATOM 610 CZ ARG A 37 10.272 6.284 8.272 1.00 0.00 C ATOM 611 NH1 ARG A 37 10.449 7.485 8.840 1.00 0.00 N ATOM 612 NH2 ARG A 37 11.240 5.360 8.343 1.00 0.00 N ATOM 0 H ARG A 37 5.398 5.680 2.996 1.00 0.00 H new ATOM 0 HA ARG A 37 5.336 7.356 5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.487 4.776 5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.845 5.862 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.864 6.847 7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.605 5.325 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.247 7.727 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.829 7.467 8.448 1.00 0.00 H new ATOM 0 HE ARG A 37 9.027 5.085 7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.713 8.189 8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.320 7.695 9.327 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.106 4.446 7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.111 5.570 8.830 1.00 0.00 H new ATOM 626 N VAL A 38 6.713 8.900 4.049 1.00 0.00 N ATOM 627 CA VAL A 38 7.504 9.849 3.285 1.00 0.00 C ATOM 628 C VAL A 38 8.990 9.564 3.507 1.00 0.00 C ATOM 629 O VAL A 38 9.441 9.454 4.646 1.00 0.00 O ATOM 630 CB VAL A 38 7.108 11.280 3.656 1.00 0.00 C ATOM 631 CG1 VAL A 38 8.007 12.298 2.951 1.00 0.00 C ATOM 632 CG2 VAL A 38 5.633 11.540 3.341 1.00 0.00 C ATOM 0 H VAL A 38 6.078 9.322 4.726 1.00 0.00 H new ATOM 0 HA VAL A 38 7.307 9.738 2.219 1.00 0.00 H new ATOM 0 HB VAL A 38 7.247 11.398 4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.704 13.307 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.043 12.135 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.915 12.179 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.378 12.564 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.457 11.394 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.012 10.847 3.909 1.00 0.00 H new ATOM 642 N VAL A 39 9.711 9.451 2.401 1.00 0.00 N ATOM 643 CA VAL A 39 11.137 9.181 2.461 1.00 0.00 C ATOM 644 C VAL A 39 11.887 10.239 1.649 1.00 0.00 C ATOM 645 O VAL A 39 11.475 10.585 0.543 1.00 0.00 O ATOM 646 CB VAL A 39 11.419 7.753 1.987 1.00 0.00 C ATOM 647 CG1 VAL A 39 12.924 7.498 1.880 1.00 0.00 C ATOM 648 CG2 VAL A 39 10.754 6.729 2.909 1.00 0.00 C ATOM 0 H VAL A 39 9.334 9.542 1.458 1.00 0.00 H new ATOM 0 HA VAL A 39 11.495 9.246 3.488 1.00 0.00 H new ATOM 0 HB VAL A 39 10.988 7.639 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.097 6.476 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.361 8.196 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.387 7.640 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.970 5.723 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.142 6.845 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.676 6.889 2.913 1.00 0.00 H new ATOM 658 N PRO A 40 13.004 10.735 2.245 1.00 0.00 N ATOM 659 CA PRO A 40 13.815 11.747 1.590 1.00 0.00 C ATOM 660 C PRO A 40 14.648 11.135 0.461 1.00 0.00 C ATOM 661 O PRO A 40 15.673 10.504 0.714 1.00 0.00 O ATOM 662 CB PRO A 40 14.666 12.347 2.697 1.00 0.00 C ATOM 663 CG PRO A 40 14.638 11.341 3.836 1.00 0.00 C ATOM 664 CD PRO A 40 13.522 10.349 3.554 1.00 0.00 C ATOM 0 HA PRO A 40 13.215 12.517 1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.686 12.521 2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.268 13.310 3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.596 10.826 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.469 11.846 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.895 9.325 3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.746 10.399 4.317 1.00 0.00 H new ATOM 735 N GLN A 47 9.813 10.100 -3.757 1.00 0.00 N ATOM 736 CA GLN A 47 8.785 9.079 -3.644 1.00 0.00 C ATOM 737 C GLN A 47 9.053 8.188 -2.429 1.00 0.00 C ATOM 738 O GLN A 47 10.183 7.757 -2.208 1.00 0.00 O ATOM 739 CB GLN A 47 8.696 8.247 -4.925 1.00 0.00 C ATOM 740 CG GLN A 47 8.266 9.112 -6.112 1.00 0.00 C ATOM 741 CD GLN A 47 9.457 9.431 -7.018 1.00 0.00 C ATOM 742 OE1 GLN A 47 10.554 8.923 -6.847 1.00 0.00 O ATOM 743 NE2 GLN A 47 9.182 10.298 -7.988 1.00 0.00 N ATOM 0 HA GLN A 47 7.824 9.573 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.664 7.791 -5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.984 7.434 -4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.497 8.593 -6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.822 10.039 -5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.242 10.685 -8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.911 10.576 -8.646 1.00 0.00 H new ATOM 752 N TYR A 48 7.993 7.940 -1.673 1.00 0.00 N ATOM 753 CA TYR A 48 8.100 7.108 -0.486 1.00 0.00 C ATOM 754 C TYR A 48 8.142 5.625 -0.858 1.00 0.00 C ATOM 755 O TYR A 48 7.402 5.179 -1.734 1.00 0.00 O ATOM 756 CB TYR A 48 6.837 7.380 0.334 1.00 0.00 C ATOM 757 CG TYR A 48 5.557 7.453 -0.501 1.00 0.00 C ATOM 758 CD1 TYR A 48 4.930 6.292 -0.905 1.00 0.00 C ATOM 759 CD2 TYR A 48 5.029 8.680 -0.849 1.00 0.00 C ATOM 760 CE1 TYR A 48 3.725 6.361 -1.691 1.00 0.00 C ATOM 761 CE2 TYR A 48 3.824 8.749 -1.635 1.00 0.00 C ATOM 762 CZ TYR A 48 3.231 7.586 -2.017 1.00 0.00 C ATOM 763 OH TYR A 48 2.093 7.651 -2.759 1.00 0.00 O ATOM 0 H TYR A 48 7.057 8.300 -1.859 1.00 0.00 H new ATOM 0 HA TYR A 48 9.013 7.338 0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.726 6.595 1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.961 8.319 0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.343 5.332 -0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.520 9.588 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.225 5.460 -2.014 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.401 9.703 -1.915 1.00 0.00 H new ATOM 0 HH TYR A 48 1.905 6.771 -3.147 1.00 0.00 H new ATOM 773 N ALA A 49 9.015 4.901 -0.173 1.00 0.00 N ATOM 774 CA ALA A 49 9.164 3.477 -0.421 1.00 0.00 C ATOM 775 C ALA A 49 8.053 2.718 0.309 1.00 0.00 C ATOM 776 O ALA A 49 7.459 3.237 1.253 1.00 0.00 O ATOM 777 CB ALA A 49 10.560 3.026 0.014 1.00 0.00 C ATOM 0 H ALA A 49 9.626 5.274 0.553 1.00 0.00 H new ATOM 0 HA ALA A 49 9.068 3.261 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.672 1.958 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.313 3.574 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.692 3.225 1.078 1.00 0.00 H new ATOM 783 N MET A 50 7.807 1.502 -0.157 1.00 0.00 N ATOM 784 CA MET A 50 6.778 0.667 0.440 1.00 0.00 C ATOM 785 C MET A 50 7.399 -0.478 1.243 1.00 0.00 C ATOM 786 O MET A 50 8.613 -0.670 1.219 1.00 0.00 O ATOM 787 CB MET A 50 5.884 0.093 -0.662 1.00 0.00 C ATOM 788 CG MET A 50 4.727 1.042 -0.978 1.00 0.00 C ATOM 789 SD MET A 50 4.884 1.662 -2.645 1.00 0.00 S ATOM 790 CE MET A 50 4.030 0.372 -3.537 1.00 0.00 C ATOM 0 H MET A 50 8.302 1.075 -0.940 1.00 0.00 H new ATOM 0 HA MET A 50 6.185 1.281 1.118 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.475 -0.079 -1.562 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.491 -0.874 -0.349 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.777 0.521 -0.863 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.723 1.872 -0.271 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.862 0.691 -4.566 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.634 -0.535 -3.532 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.071 0.172 -3.058 1.00 0.00 H new ATOM 800 N GLY A 51 6.536 -1.208 1.934 1.00 0.00 N ATOM 801 CA GLY A 51 6.984 -2.329 2.743 1.00 0.00 C ATOM 802 C GLY A 51 5.798 -3.165 3.227 1.00 0.00 C ATOM 803 O GLY A 51 4.645 -2.779 3.041 1.00 0.00 O ATOM 0 H GLY A 51 5.529 -1.045 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.661 -2.954 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.548 -1.961 3.600 1.00 0.00 H new ATOM 807 N PHE A 52 6.122 -4.295 3.838 1.00 0.00 N ATOM 808 CA PHE A 52 5.097 -5.189 4.350 1.00 0.00 C ATOM 809 C PHE A 52 5.073 -5.177 5.880 1.00 0.00 C ATOM 810 O PHE A 52 6.073 -5.493 6.522 1.00 0.00 O ATOM 811 CB PHE A 52 5.451 -6.598 3.868 1.00 0.00 C ATOM 812 CG PHE A 52 6.937 -6.941 3.989 1.00 0.00 C ATOM 813 CD1 PHE A 52 7.806 -6.552 3.018 1.00 0.00 C ATOM 814 CD2 PHE A 52 7.389 -7.636 5.067 1.00 0.00 C ATOM 815 CE1 PHE A 52 9.185 -6.871 3.130 1.00 0.00 C ATOM 816 CE2 PHE A 52 8.768 -7.955 5.179 1.00 0.00 C ATOM 817 CZ PHE A 52 9.637 -7.565 4.208 1.00 0.00 C ATOM 0 H PHE A 52 7.079 -4.612 3.990 1.00 0.00 H new ATOM 0 HA PHE A 52 4.116 -4.872 3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.873 -7.323 4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.148 -6.701 2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.447 -6.000 2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.699 -7.945 5.838 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.875 -6.562 2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.127 -8.507 6.035 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.686 -7.807 4.293 1.00 0.00 H new ATOM 827 N ASP A 53 3.920 -4.809 6.419 1.00 0.00 N ATOM 828 CA ASP A 53 3.752 -4.752 7.861 1.00 0.00 C ATOM 829 C ASP A 53 2.632 -5.706 8.278 1.00 0.00 C ATOM 830 O ASP A 53 1.982 -6.315 7.430 1.00 0.00 O ATOM 831 CB ASP A 53 3.366 -3.342 8.315 1.00 0.00 C ATOM 832 CG ASP A 53 3.943 -2.918 9.667 1.00 0.00 C ATOM 833 OD1 ASP A 53 4.620 -3.767 10.287 1.00 0.00 O ATOM 834 OD2 ASP A 53 3.693 -1.755 10.051 1.00 0.00 O ATOM 0 H ASP A 53 3.093 -4.547 5.883 1.00 0.00 H new ATOM 0 HA ASP A 53 4.699 -5.033 8.322 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.694 -2.630 7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.279 -3.277 8.364 1.00 0.00 H new ATOM 839 N ASP A 54 2.440 -5.807 9.585 1.00 0.00 N ATOM 840 CA ASP A 54 1.409 -6.677 10.125 1.00 0.00 C ATOM 841 C ASP A 54 0.560 -5.893 11.129 1.00 0.00 C ATOM 842 O ASP A 54 -0.667 -5.963 11.097 1.00 0.00 O ATOM 843 CB ASP A 54 2.024 -7.871 10.858 1.00 0.00 C ATOM 844 CG ASP A 54 2.364 -9.069 9.969 1.00 0.00 C ATOM 845 OD1 ASP A 54 3.032 -8.839 8.937 1.00 0.00 O ATOM 846 OD2 ASP A 54 1.950 -10.188 10.341 1.00 0.00 O ATOM 0 H ASP A 54 2.981 -5.301 10.286 1.00 0.00 H new ATOM 0 HA ASP A 54 0.803 -7.037 9.294 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.933 -7.541 11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.332 -8.198 11.634 1.00 0.00 H new ATOM 851 N THR A 55 1.248 -5.164 11.995 1.00 0.00 N ATOM 852 CA THR A 55 0.573 -4.368 13.006 1.00 0.00 C ATOM 853 C THR A 55 -0.127 -3.170 12.362 1.00 0.00 C ATOM 854 O THR A 55 -0.083 -3.002 11.144 1.00 0.00 O ATOM 855 CB THR A 55 1.606 -3.972 14.064 1.00 0.00 C ATOM 856 OG1 THR A 55 0.836 -3.335 15.079 1.00 0.00 O ATOM 857 CG2 THR A 55 2.555 -2.877 13.574 1.00 0.00 C ATOM 0 H THR A 55 2.266 -5.108 12.018 1.00 0.00 H new ATOM 0 HA THR A 55 -0.215 -4.939 13.498 1.00 0.00 H new ATOM 0 HB THR A 55 2.183 -4.850 14.354 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.427 -3.048 15.806 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.267 -2.633 14.362 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.094 -3.229 12.694 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.981 -1.987 13.316 1.00 0.00 H new ATOM 865 N VAL A 56 -0.756 -2.368 13.208 1.00 0.00 N ATOM 866 CA VAL A 56 -1.465 -1.190 12.736 1.00 0.00 C ATOM 867 C VAL A 56 -1.125 -0.001 13.637 1.00 0.00 C ATOM 868 O VAL A 56 -0.752 -0.182 14.795 1.00 0.00 O ATOM 869 CB VAL A 56 -2.966 -1.476 12.664 1.00 0.00 C ATOM 870 CG1 VAL A 56 -3.776 -0.293 13.197 1.00 0.00 C ATOM 871 CG2 VAL A 56 -3.389 -1.832 11.238 1.00 0.00 C ATOM 0 H VAL A 56 -0.790 -2.510 14.217 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.148 -0.933 11.725 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.173 -2.337 13.299 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.840 -0.523 13.134 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.506 -0.106 14.236 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.561 0.594 12.601 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.461 -2.031 11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.160 -1.000 10.572 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.848 -2.720 10.909 1.00 0.00 H new ATOM 881 N GLU A 57 -1.267 1.188 13.071 1.00 0.00 N ATOM 882 CA GLU A 57 -0.979 2.407 13.808 1.00 0.00 C ATOM 883 C GLU A 57 -2.175 2.794 14.680 1.00 0.00 C ATOM 884 O GLU A 57 -3.252 2.213 14.556 1.00 0.00 O ATOM 885 CB GLU A 57 -0.601 3.546 12.859 1.00 0.00 C ATOM 886 CG GLU A 57 0.248 3.031 11.695 1.00 0.00 C ATOM 887 CD GLU A 57 1.548 3.827 11.571 1.00 0.00 C ATOM 888 OE1 GLU A 57 1.455 5.008 11.171 1.00 0.00 O ATOM 889 OE2 GLU A 57 2.606 3.237 11.879 1.00 0.00 O ATOM 0 H GLU A 57 -1.578 1.334 12.110 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.124 2.222 14.458 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.505 4.018 12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.050 4.311 13.405 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.476 1.976 11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.318 3.105 10.766 1.00 0.00 H new ATOM 896 N GLU A 58 -1.945 3.772 15.544 1.00 0.00 N ATOM 897 CA GLU A 58 -2.991 4.244 16.436 1.00 0.00 C ATOM 898 C GLU A 58 -3.913 5.220 15.704 1.00 0.00 C ATOM 899 O GLU A 58 -4.226 6.291 16.222 1.00 0.00 O ATOM 900 CB GLU A 58 -2.393 4.888 17.689 1.00 0.00 C ATOM 901 CG GLU A 58 -3.106 4.398 18.951 1.00 0.00 C ATOM 902 CD GLU A 58 -2.215 4.566 20.183 1.00 0.00 C ATOM 903 OE1 GLU A 58 -1.250 3.780 20.298 1.00 0.00 O ATOM 904 OE2 GLU A 58 -2.520 5.477 20.984 1.00 0.00 O ATOM 0 H GLU A 58 -1.050 4.250 15.645 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.583 3.387 16.756 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.331 4.652 17.752 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.474 5.973 17.619 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.033 4.955 19.089 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.379 3.349 18.835 1.00 0.00 H new ATOM 911 N GLY A 59 -4.323 4.816 14.511 1.00 0.00 N ATOM 912 CA GLY A 59 -5.203 5.642 13.702 1.00 0.00 C ATOM 913 C GLY A 59 -4.565 5.964 12.350 1.00 0.00 C ATOM 914 O GLY A 59 -4.141 7.094 12.113 1.00 0.00 O ATOM 0 H GLY A 59 -4.062 3.927 14.085 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.151 5.126 13.547 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.427 6.568 14.232 1.00 0.00 H new ATOM 918 N ASP A 60 -4.516 4.950 11.498 1.00 0.00 N ATOM 919 CA ASP A 60 -3.936 5.111 10.176 1.00 0.00 C ATOM 920 C ASP A 60 -5.016 4.873 9.118 1.00 0.00 C ATOM 921 O ASP A 60 -5.881 4.016 9.290 1.00 0.00 O ATOM 922 CB ASP A 60 -2.813 4.099 9.940 1.00 0.00 C ATOM 923 CG ASP A 60 -1.507 4.695 9.411 1.00 0.00 C ATOM 924 OD1 ASP A 60 -0.744 5.224 10.248 1.00 0.00 O ATOM 925 OD2 ASP A 60 -1.300 4.607 8.181 1.00 0.00 O ATOM 0 H ASP A 60 -4.869 4.014 11.698 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.532 6.121 10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.606 3.583 10.878 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.164 3.347 9.233 1.00 0.00 H new ATOM 930 N HIS A 61 -4.930 5.648 8.046 1.00 0.00 N ATOM 931 CA HIS A 61 -5.889 5.533 6.961 1.00 0.00 C ATOM 932 C HIS A 61 -5.752 4.160 6.300 1.00 0.00 C ATOM 933 O HIS A 61 -5.001 4.001 5.339 1.00 0.00 O ATOM 934 CB HIS A 61 -5.728 6.687 5.969 1.00 0.00 C ATOM 935 CG HIS A 61 -6.518 7.922 6.332 1.00 0.00 C ATOM 936 ND1 HIS A 61 -7.507 8.576 5.659 1.00 0.00 N flip ATOM 937 CD2 HIS A 61 -6.320 8.619 7.510 1.00 0.00 C flip ATOM 938 CE1 HIS A 61 -7.893 9.617 6.387 1.00 0.00 C flip ATOM 939 NE2 HIS A 61 -7.158 9.645 7.535 1.00 0.00 N flip ATOM 0 H HIS A 61 -4.211 6.358 7.906 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.902 5.609 7.356 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.672 6.950 5.901 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.036 6.348 4.980 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.604 8.369 8.279 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.662 10.325 6.115 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.239 10.335 8.282 1.00 0.00 H new ATOM 947 N VAL A 62 -6.491 3.202 6.840 1.00 0.00 N ATOM 948 CA VAL A 62 -6.462 1.848 6.315 1.00 0.00 C ATOM 949 C VAL A 62 -7.321 1.778 5.050 1.00 0.00 C ATOM 950 O VAL A 62 -8.539 1.933 5.114 1.00 0.00 O ATOM 951 CB VAL A 62 -6.906 0.858 7.394 1.00 0.00 C ATOM 952 CG1 VAL A 62 -8.359 0.429 7.181 1.00 0.00 C ATOM 953 CG2 VAL A 62 -5.977 -0.357 7.439 1.00 0.00 C ATOM 0 H VAL A 62 -7.114 3.337 7.636 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.446 1.569 6.035 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.844 1.364 8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.649 -0.274 7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.007 1.305 7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.458 -0.049 6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.315 -1.045 8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.992 -0.863 6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.961 -0.030 7.661 1.00 0.00 H new ATOM 963 N PHE A 63 -6.651 1.543 3.931 1.00 0.00 N ATOM 964 CA PHE A 63 -7.337 1.451 2.654 1.00 0.00 C ATOM 965 C PHE A 63 -7.199 0.049 2.057 1.00 0.00 C ATOM 966 O PHE A 63 -6.089 -0.406 1.783 1.00 0.00 O ATOM 967 CB PHE A 63 -6.673 2.460 1.715 1.00 0.00 C ATOM 968 CG PHE A 63 -7.552 2.888 0.539 1.00 0.00 C ATOM 969 CD1 PHE A 63 -8.875 3.138 0.734 1.00 0.00 C ATOM 970 CD2 PHE A 63 -7.012 3.019 -0.702 1.00 0.00 C ATOM 971 CE1 PHE A 63 -9.691 3.536 -0.357 1.00 0.00 C ATOM 972 CE2 PHE A 63 -7.828 3.417 -1.794 1.00 0.00 C ATOM 973 CZ PHE A 63 -9.151 3.667 -1.598 1.00 0.00 C ATOM 0 H PHE A 63 -5.640 1.414 3.883 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.399 1.657 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.394 3.345 2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.751 2.027 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.305 3.034 1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.962 2.820 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.741 3.735 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.399 3.521 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.772 3.969 -2.428 1.00 0.00 H new ATOM 983 N GLU A 64 -8.341 -0.597 1.874 1.00 0.00 N ATOM 984 CA GLU A 64 -8.361 -1.938 1.315 1.00 0.00 C ATOM 985 C GLU A 64 -7.924 -1.909 -0.151 1.00 0.00 C ATOM 986 O GLU A 64 -8.350 -1.042 -0.912 1.00 0.00 O ATOM 987 CB GLU A 64 -9.746 -2.573 1.462 1.00 0.00 C ATOM 988 CG GLU A 64 -10.147 -2.678 2.935 1.00 0.00 C ATOM 989 CD GLU A 64 -11.624 -3.052 3.075 1.00 0.00 C ATOM 990 OE1 GLU A 64 -12.454 -2.120 3.008 1.00 0.00 O ATOM 991 OE2 GLU A 64 -11.889 -4.262 3.246 1.00 0.00 O ATOM 0 H GLU A 64 -9.259 -0.217 2.103 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.654 -2.553 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.482 -1.977 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.745 -3.565 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.530 -3.427 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.960 -1.728 3.435 1.00 0.00 H new ATOM 998 N TYR A 65 -7.079 -2.867 -0.502 1.00 0.00 N ATOM 999 CA TYR A 65 -6.580 -2.962 -1.864 1.00 0.00 C ATOM 1000 C TYR A 65 -7.115 -4.216 -2.558 1.00 0.00 C ATOM 1001 O TYR A 65 -8.036 -4.861 -2.059 1.00 0.00 O ATOM 1002 CB TYR A 65 -5.058 -3.067 -1.748 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.341 -1.716 -1.723 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -4.866 -0.670 -0.991 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -3.170 -1.543 -2.432 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -4.191 0.602 -0.968 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -2.495 -0.271 -2.409 1.00 0.00 C ATOM 1008 CZ TYR A 65 -3.039 0.739 -1.678 1.00 0.00 C ATOM 1009 OH TYR A 65 -2.402 1.940 -1.656 1.00 0.00 O ATOM 0 H TYR A 65 -6.727 -3.584 0.132 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.896 -2.099 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.810 -3.615 -0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.680 -3.652 -2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.782 -0.805 -0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.759 -2.362 -3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.591 1.429 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.578 -0.122 -2.960 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.593 1.891 -2.207 1.00 0.00 H new ATOM 1019 N ASP A 66 -6.513 -4.525 -3.697 1.00 0.00 N ATOM 1020 CA ASP A 66 -6.917 -5.691 -4.465 1.00 0.00 C ATOM 1021 C ASP A 66 -6.583 -6.957 -3.674 1.00 0.00 C ATOM 1022 O ASP A 66 -5.673 -7.700 -4.041 1.00 0.00 O ATOM 1023 CB ASP A 66 -6.173 -5.756 -5.800 1.00 0.00 C ATOM 1024 CG ASP A 66 -6.949 -6.416 -6.941 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -7.633 -7.423 -6.655 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -6.841 -5.900 -8.074 1.00 0.00 O ATOM 0 H ASP A 66 -5.749 -3.988 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.988 -5.617 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.907 -4.742 -6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.240 -6.300 -5.653 1.00 0.00 H new ATOM 1031 N GLY A 67 -7.336 -7.165 -2.605 1.00 0.00 N ATOM 1032 CA GLY A 67 -7.131 -8.329 -1.759 1.00 0.00 C ATOM 1033 C GLY A 67 -5.893 -8.155 -0.877 1.00 0.00 C ATOM 1034 O GLY A 67 -5.169 -9.115 -0.621 1.00 0.00 O ATOM 0 H GLY A 67 -8.090 -6.547 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.009 -8.487 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.018 -9.218 -2.379 1.00 0.00 H new ATOM 1038 N VAL A 68 -5.689 -6.922 -0.437 1.00 0.00 N ATOM 1039 CA VAL A 68 -4.551 -6.610 0.411 1.00 0.00 C ATOM 1040 C VAL A 68 -4.886 -5.396 1.280 1.00 0.00 C ATOM 1041 O VAL A 68 -5.728 -4.578 0.912 1.00 0.00 O ATOM 1042 CB VAL A 68 -3.300 -6.404 -0.446 1.00 0.00 C ATOM 1043 CG1 VAL A 68 -2.073 -6.143 0.429 1.00 0.00 C ATOM 1044 CG2 VAL A 68 -3.068 -7.599 -1.373 1.00 0.00 C ATOM 0 H VAL A 68 -6.292 -6.128 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.336 -7.442 1.082 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.461 -5.524 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.198 -6.000 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.237 -5.247 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.908 -6.995 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.173 -7.427 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.938 -8.502 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.927 -7.720 -2.033 1.00 0.00 H new ATOM 1054 N LYS A 69 -4.210 -5.317 2.417 1.00 0.00 N ATOM 1055 CA LYS A 69 -4.426 -4.216 3.341 1.00 0.00 C ATOM 1056 C LYS A 69 -3.361 -3.143 3.106 1.00 0.00 C ATOM 1057 O LYS A 69 -2.227 -3.456 2.748 1.00 0.00 O ATOM 1058 CB LYS A 69 -4.475 -4.729 4.782 1.00 0.00 C ATOM 1059 CG LYS A 69 -5.920 -4.852 5.271 1.00 0.00 C ATOM 1060 CD LYS A 69 -5.969 -5.116 6.777 1.00 0.00 C ATOM 1061 CE LYS A 69 -7.394 -5.435 7.232 1.00 0.00 C ATOM 1062 NZ LYS A 69 -7.843 -4.462 8.253 1.00 0.00 N ATOM 0 H LYS A 69 -3.513 -5.997 2.719 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.394 -3.750 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.983 -5.700 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.924 -4.050 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.465 -3.936 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.420 -5.662 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.309 -5.947 7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.599 -4.243 7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.069 -5.411 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.434 -6.445 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.812 -4.693 8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.209 -4.505 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.824 -3.503 7.851 1.00 0.00 H new ATOM 1076 N VAL A 70 -3.765 -1.899 3.317 1.00 0.00 N ATOM 1077 CA VAL A 70 -2.860 -0.777 3.133 1.00 0.00 C ATOM 1078 C VAL A 70 -3.189 0.312 4.156 1.00 0.00 C ATOM 1079 O VAL A 70 -4.330 0.426 4.601 1.00 0.00 O ATOM 1080 CB VAL A 70 -2.930 -0.280 1.688 1.00 0.00 C ATOM 1081 CG1 VAL A 70 -2.049 0.955 1.490 1.00 0.00 C ATOM 1082 CG2 VAL A 70 -2.547 -1.390 0.707 1.00 0.00 C ATOM 0 H VAL A 70 -4.707 -1.643 3.614 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.829 -1.086 3.307 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.961 0.007 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.117 1.288 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.387 1.753 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.014 0.705 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.605 -1.010 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.530 -1.723 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.233 -2.229 0.821 1.00 0.00 H new ATOM 1092 N VAL A 71 -2.168 1.084 4.500 1.00 0.00 N ATOM 1093 CA VAL A 71 -2.335 2.159 5.463 1.00 0.00 C ATOM 1094 C VAL A 71 -1.442 3.336 5.066 1.00 0.00 C ATOM 1095 O VAL A 71 -0.469 3.163 4.333 1.00 0.00 O ATOM 1096 CB VAL A 71 -2.053 1.645 6.876 1.00 0.00 C ATOM 1097 CG1 VAL A 71 -2.493 0.187 7.027 1.00 0.00 C ATOM 1098 CG2 VAL A 71 -0.575 1.812 7.236 1.00 0.00 C ATOM 0 H VAL A 71 -1.223 0.986 4.129 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.365 2.516 5.461 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.637 2.245 7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.281 -0.154 8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.563 0.108 6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.949 -0.433 6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.402 1.439 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.037 1.249 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.306 2.867 7.188 1.00 0.00 H new ATOM 1108 N ILE A 72 -1.803 4.508 5.568 1.00 0.00 N ATOM 1109 CA ILE A 72 -1.046 5.713 5.275 1.00 0.00 C ATOM 1110 C ILE A 72 -1.029 6.613 6.512 1.00 0.00 C ATOM 1111 O ILE A 72 -2.073 6.874 7.109 1.00 0.00 O ATOM 1112 CB ILE A 72 -1.596 6.400 4.023 1.00 0.00 C ATOM 1113 CG1 ILE A 72 -1.526 5.468 2.811 1.00 0.00 C ATOM 1114 CG2 ILE A 72 -0.881 7.728 3.767 1.00 0.00 C ATOM 1115 CD1 ILE A 72 -2.803 4.635 2.685 1.00 0.00 C ATOM 0 H ILE A 72 -2.610 4.649 6.176 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.010 5.465 5.046 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.648 6.629 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.380 6.055 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.664 4.807 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.291 8.195 2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.026 8.390 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.184 7.546 3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.727 3.982 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.933 4.031 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.660 5.298 2.566 1.00 0.00 H new ATOM 1127 N ASP A 73 0.167 7.062 6.861 1.00 0.00 N ATOM 1128 CA ASP A 73 0.334 7.927 8.017 1.00 0.00 C ATOM 1129 C ASP A 73 -0.501 9.195 7.824 1.00 0.00 C ATOM 1130 O ASP A 73 -0.970 9.472 6.722 1.00 0.00 O ATOM 1131 CB ASP A 73 1.796 8.345 8.186 1.00 0.00 C ATOM 1132 CG ASP A 73 2.599 7.503 9.180 1.00 0.00 C ATOM 1133 OD1 ASP A 73 2.560 6.262 9.033 1.00 0.00 O ATOM 1134 OD2 ASP A 73 3.233 8.119 10.063 1.00 0.00 O ATOM 0 H ASP A 73 1.030 6.843 6.364 1.00 0.00 H new ATOM 0 HA ASP A 73 0.013 7.375 8.900 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.286 8.298 7.214 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.826 9.386 8.508 1.00 0.00 H new ATOM 1139 N PRO A 74 -0.665 9.950 8.943 1.00 0.00 N ATOM 1140 CA PRO A 74 -1.435 11.182 8.908 1.00 0.00 C ATOM 1141 C PRO A 74 -0.647 12.302 8.226 1.00 0.00 C ATOM 1142 O PRO A 74 -1.232 13.259 7.721 1.00 0.00 O ATOM 1143 CB PRO A 74 -1.759 11.485 10.362 1.00 0.00 C ATOM 1144 CG PRO A 74 -0.772 10.674 11.187 1.00 0.00 C ATOM 1145 CD PRO A 74 -0.124 9.653 10.266 1.00 0.00 C ATOM 0 HA PRO A 74 -2.349 11.090 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.660 12.550 10.570 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.786 11.208 10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.017 11.325 11.627 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.282 10.175 12.011 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.962 9.742 10.279 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.364 8.635 10.572 1.00 0.00 H new ATOM 1153 N PHE A 75 0.669 12.145 8.232 1.00 0.00 N ATOM 1154 CA PHE A 75 1.543 13.131 7.620 1.00 0.00 C ATOM 1155 C PHE A 75 1.751 12.832 6.134 1.00 0.00 C ATOM 1156 O PHE A 75 1.944 13.746 5.334 1.00 0.00 O ATOM 1157 CB PHE A 75 2.890 13.043 8.339 1.00 0.00 C ATOM 1158 CG PHE A 75 3.152 14.192 9.315 1.00 0.00 C ATOM 1159 CD1 PHE A 75 2.445 14.274 10.474 1.00 0.00 C ATOM 1160 CD2 PHE A 75 4.090 15.132 9.022 1.00 0.00 C ATOM 1161 CE1 PHE A 75 2.688 15.340 11.379 1.00 0.00 C ATOM 1162 CE2 PHE A 75 4.333 16.198 9.928 1.00 0.00 C ATOM 1163 CZ PHE A 75 3.627 16.280 11.087 1.00 0.00 C ATOM 0 H PHE A 75 1.151 11.350 8.651 1.00 0.00 H new ATOM 0 HA PHE A 75 1.101 14.124 7.705 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.939 12.100 8.883 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.686 13.023 7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.699 13.528 10.706 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.650 15.068 8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.127 15.405 12.300 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.079 16.944 9.696 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.812 17.091 11.776 1.00 0.00 H new ATOM 1173 N SER A 76 1.705 11.548 5.809 1.00 0.00 N ATOM 1174 CA SER A 76 1.886 11.117 4.433 1.00 0.00 C ATOM 1175 C SER A 76 0.536 11.088 3.712 1.00 0.00 C ATOM 1176 O SER A 76 0.485 11.081 2.483 1.00 0.00 O ATOM 1177 CB SER A 76 2.551 9.741 4.370 1.00 0.00 C ATOM 1178 OG SER A 76 1.743 8.730 4.966 1.00 0.00 O ATOM 0 H SER A 76 1.545 10.792 6.475 1.00 0.00 H new ATOM 0 HA SER A 76 2.542 11.831 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.748 9.481 3.330 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.515 9.781 4.877 1.00 0.00 H new ATOM 0 HG SER A 76 0.994 9.147 5.440 1.00 0.00 H new ATOM 1184 N MET A 77 -0.523 11.072 4.507 1.00 0.00 N ATOM 1185 CA MET A 77 -1.869 11.044 3.960 1.00 0.00 C ATOM 1186 C MET A 77 -2.098 12.218 3.007 1.00 0.00 C ATOM 1187 O MET A 77 -2.577 12.031 1.890 1.00 0.00 O ATOM 1188 CB MET A 77 -2.886 11.107 5.102 1.00 0.00 C ATOM 1189 CG MET A 77 -3.780 9.865 5.109 1.00 0.00 C ATOM 1190 SD MET A 77 -5.404 10.279 4.496 1.00 0.00 S ATOM 1191 CE MET A 77 -5.116 10.143 2.739 1.00 0.00 C ATOM 0 H MET A 77 -0.477 11.078 5.526 1.00 0.00 H new ATOM 0 HA MET A 77 -1.994 10.117 3.401 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.363 11.189 6.055 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.500 12.001 4.998 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.337 9.084 4.491 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.855 9.466 6.121 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.061 10.248 2.206 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.431 10.928 2.421 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.680 9.169 2.516 1.00 0.00 H new ATOM 1201 N PRO A 78 -1.735 13.435 3.496 1.00 0.00 N ATOM 1202 CA PRO A 78 -1.896 14.639 2.700 1.00 0.00 C ATOM 1203 C PRO A 78 -0.828 14.722 1.607 1.00 0.00 C ATOM 1204 O PRO A 78 -0.781 15.692 0.852 1.00 0.00 O ATOM 1205 CB PRO A 78 -1.815 15.784 3.697 1.00 0.00 C ATOM 1206 CG PRO A 78 -1.151 15.209 4.938 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.165 13.694 4.814 1.00 0.00 C ATOM 0 HA PRO A 78 -2.844 14.663 2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.235 16.614 3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.807 16.171 3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.128 15.575 5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.683 15.524 5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.160 13.281 4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.765 13.238 5.601 1.00 0.00 H new ATOM 1215 N TYR A 79 0.002 13.691 1.558 1.00 0.00 N ATOM 1216 CA TYR A 79 1.067 13.634 0.570 1.00 0.00 C ATOM 1217 C TYR A 79 0.719 12.658 -0.556 1.00 0.00 C ATOM 1218 O TYR A 79 1.533 12.416 -1.445 1.00 0.00 O ATOM 1219 CB TYR A 79 2.303 13.119 1.311 1.00 0.00 C ATOM 1220 CG TYR A 79 3.548 13.987 1.122 1.00 0.00 C ATOM 1221 CD1 TYR A 79 4.250 13.937 -0.065 1.00 0.00 C ATOM 1222 CD2 TYR A 79 3.969 14.821 2.138 1.00 0.00 C ATOM 1223 CE1 TYR A 79 5.423 14.754 -0.243 1.00 0.00 C ATOM 1224 CE2 TYR A 79 5.142 15.638 1.960 1.00 0.00 C ATOM 1225 CZ TYR A 79 5.811 15.564 0.778 1.00 0.00 C ATOM 1226 OH TYR A 79 6.918 16.336 0.610 1.00 0.00 O ATOM 0 H TYR A 79 -0.041 12.888 2.186 1.00 0.00 H new ATOM 0 HA TYR A 79 1.227 14.614 0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.076 13.055 2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.523 12.107 0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.920 13.285 -0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.419 14.861 3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.982 14.724 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.483 16.294 2.747 1.00 0.00 H new ATOM 0 HH TYR A 79 7.075 16.864 1.421 1.00 0.00 H new ATOM 1236 N VAL A 80 -0.492 12.125 -0.480 1.00 0.00 N ATOM 1237 CA VAL A 80 -0.957 11.181 -1.482 1.00 0.00 C ATOM 1238 C VAL A 80 -2.481 11.267 -1.588 1.00 0.00 C ATOM 1239 O VAL A 80 -3.147 10.265 -1.845 1.00 0.00 O ATOM 1240 CB VAL A 80 -0.459 9.774 -1.147 1.00 0.00 C ATOM 1241 CG1 VAL A 80 1.069 9.711 -1.181 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.998 9.311 0.208 1.00 0.00 C ATOM 0 H VAL A 80 -1.165 12.329 0.259 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.548 11.431 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.839 9.093 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.397 8.700 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.422 9.979 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.478 10.409 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.629 8.308 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.662 9.996 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.088 9.299 0.181 1.00 0.00 H new ATOM 1252 N ASN A 81 -2.990 12.473 -1.384 1.00 0.00 N ATOM 1253 CA ASN A 81 -4.423 12.703 -1.453 1.00 0.00 C ATOM 1254 C ASN A 81 -4.926 12.339 -2.852 1.00 0.00 C ATOM 1255 O ASN A 81 -4.723 13.092 -3.803 1.00 0.00 O ATOM 1256 CB ASN A 81 -4.758 14.174 -1.198 1.00 0.00 C ATOM 1257 CG ASN A 81 -6.244 14.447 -1.439 1.00 0.00 C ATOM 1258 OD1 ASN A 81 -6.797 14.142 -2.483 1.00 0.00 O ATOM 1259 ND2 ASN A 81 -6.858 15.038 -0.418 1.00 0.00 N ATOM 0 H ASN A 81 -2.435 13.302 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.901 12.087 -0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.498 14.438 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.158 14.806 -1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.851 15.263 -0.481 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.336 15.266 0.428 1.00 0.00 H new ATOM 1266 N GLY A 82 -5.574 11.186 -2.932 1.00 0.00 N ATOM 1267 CA GLY A 82 -6.107 10.714 -4.198 1.00 0.00 C ATOM 1268 C GLY A 82 -5.008 10.628 -5.259 1.00 0.00 C ATOM 1269 O GLY A 82 -5.297 10.543 -6.451 1.00 0.00 O ATOM 0 H GLY A 82 -5.742 10.565 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.563 9.733 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.894 11.387 -4.539 1.00 0.00 H new ATOM 1273 N ALA A 83 -3.771 10.655 -4.786 1.00 0.00 N ATOM 1274 CA ALA A 83 -2.627 10.582 -5.679 1.00 0.00 C ATOM 1275 C ALA A 83 -2.461 9.142 -6.172 1.00 0.00 C ATOM 1276 O ALA A 83 -3.164 8.242 -5.716 1.00 0.00 O ATOM 1277 CB ALA A 83 -1.381 11.098 -4.957 1.00 0.00 C ATOM 0 H ALA A 83 -3.536 10.726 -3.796 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.782 11.214 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.523 11.043 -5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.539 12.133 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.192 10.486 -4.075 1.00 0.00 H new ATOM 1283 N GLU A 84 -1.527 8.971 -7.096 1.00 0.00 N ATOM 1284 CA GLU A 84 -1.260 7.657 -7.655 1.00 0.00 C ATOM 1285 C GLU A 84 0.220 7.303 -7.494 1.00 0.00 C ATOM 1286 O GLU A 84 1.092 8.119 -7.787 1.00 0.00 O ATOM 1287 CB GLU A 84 -1.684 7.589 -9.123 1.00 0.00 C ATOM 1288 CG GLU A 84 -1.449 6.190 -9.697 1.00 0.00 C ATOM 1289 CD GLU A 84 -2.734 5.625 -10.308 1.00 0.00 C ATOM 1290 OE1 GLU A 84 -3.488 6.434 -10.892 1.00 0.00 O ATOM 1291 OE2 GLU A 84 -2.933 4.398 -10.176 1.00 0.00 O ATOM 0 H GLU A 84 -0.946 9.721 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.851 6.923 -7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.738 7.851 -9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.123 8.323 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.668 6.231 -10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.093 5.525 -8.910 1.00 0.00 H new ATOM 1298 N LEU A 85 0.457 6.085 -7.030 1.00 0.00 N ATOM 1299 CA LEU A 85 1.816 5.613 -6.827 1.00 0.00 C ATOM 1300 C LEU A 85 2.079 4.418 -7.746 1.00 0.00 C ATOM 1301 O LEU A 85 1.546 3.332 -7.526 1.00 0.00 O ATOM 1302 CB LEU A 85 2.066 5.316 -5.347 1.00 0.00 C ATOM 1303 CG LEU A 85 2.545 3.901 -5.018 1.00 0.00 C ATOM 1304 CD1 LEU A 85 3.893 3.611 -5.681 1.00 0.00 C ATOM 1305 CD2 LEU A 85 2.590 3.675 -3.505 1.00 0.00 C ATOM 0 H LEU A 85 -0.269 5.411 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 85 2.532 6.389 -7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.806 6.024 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.143 5.502 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 85 1.825 3.193 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.211 2.599 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.794 3.704 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.636 4.324 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.934 2.661 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.276 4.390 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.593 3.812 -3.087 1.00 0.00 H new ATOM 1317 N ASP A 86 2.901 4.659 -8.757 1.00 0.00 N ATOM 1318 CA ASP A 86 3.241 3.617 -9.710 1.00 0.00 C ATOM 1319 C ASP A 86 4.582 2.992 -9.320 1.00 0.00 C ATOM 1320 O ASP A 86 5.638 3.573 -9.568 1.00 0.00 O ATOM 1321 CB ASP A 86 3.379 4.187 -11.124 1.00 0.00 C ATOM 1322 CG ASP A 86 3.014 3.218 -12.250 1.00 0.00 C ATOM 1323 OD1 ASP A 86 3.190 2.000 -12.030 1.00 0.00 O ATOM 1324 OD2 ASP A 86 2.568 3.717 -13.305 1.00 0.00 O ATOM 0 H ASP A 86 3.341 5.561 -8.937 1.00 0.00 H new ATOM 0 HA ASP A 86 2.443 2.875 -9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.747 5.071 -11.206 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.408 4.517 -11.268 1.00 0.00 H new ATOM 1329 N TYR A 87 4.497 1.817 -8.715 1.00 0.00 N ATOM 1330 CA TYR A 87 5.691 1.107 -8.287 1.00 0.00 C ATOM 1331 C TYR A 87 6.271 0.272 -9.430 1.00 0.00 C ATOM 1332 O TYR A 87 5.579 -0.569 -10.003 1.00 0.00 O ATOM 1333 CB TYR A 87 5.245 0.170 -7.163 1.00 0.00 C ATOM 1334 CG TYR A 87 6.262 0.030 -6.029 1.00 0.00 C ATOM 1335 CD1 TYR A 87 6.531 1.105 -5.207 1.00 0.00 C ATOM 1336 CD2 TYR A 87 6.911 -1.171 -5.828 1.00 0.00 C ATOM 1337 CE1 TYR A 87 7.489 0.974 -4.139 1.00 0.00 C ATOM 1338 CE2 TYR A 87 7.869 -1.303 -4.761 1.00 0.00 C ATOM 1339 CZ TYR A 87 8.110 -0.224 -3.969 1.00 0.00 C ATOM 1340 OH TYR A 87 9.015 -0.349 -2.961 1.00 0.00 O ATOM 0 H TYR A 87 3.620 1.338 -8.511 1.00 0.00 H new ATOM 0 HA TYR A 87 6.460 1.809 -7.965 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.305 0.536 -6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.047 -0.816 -7.583 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.023 2.045 -5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.700 -2.013 -6.471 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.709 1.808 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.384 -2.237 -4.594 1.00 0.00 H new ATOM 0 HH TYR A 87 9.625 0.418 -2.972 1.00 0.00 H new ATOM 1350 N VAL A 88 7.535 0.533 -9.729 1.00 0.00 N ATOM 1351 CA VAL A 88 8.216 -0.185 -10.793 1.00 0.00 C ATOM 1352 C VAL A 88 8.752 -1.510 -10.248 1.00 0.00 C ATOM 1353 O VAL A 88 8.952 -1.654 -9.043 1.00 0.00 O ATOM 1354 CB VAL A 88 9.309 0.697 -11.402 1.00 0.00 C ATOM 1355 CG1 VAL A 88 10.299 -0.140 -12.215 1.00 0.00 C ATOM 1356 CG2 VAL A 88 8.702 1.811 -12.257 1.00 0.00 C ATOM 0 H VAL A 88 8.105 1.232 -9.253 1.00 0.00 H new ATOM 0 HA VAL A 88 7.521 -0.423 -11.598 1.00 0.00 H new ATOM 0 HB VAL A 88 9.857 1.164 -10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.065 0.511 -12.637 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.768 -0.880 -11.567 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.770 -0.648 -13.022 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.500 2.423 -12.678 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.117 1.372 -13.065 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.056 2.433 -11.638 1.00 0.00 H new ATOM 1445 N GLY A 95 11.451 0.291 -8.209 1.00 0.00 N ATOM 1446 CA GLY A 95 11.653 1.708 -7.959 1.00 0.00 C ATOM 1447 C GLY A 95 10.402 2.340 -7.346 1.00 0.00 C ATOM 1448 O GLY A 95 9.414 1.652 -7.095 1.00 0.00 O ATOM 0 HA2 GLY A 95 12.501 1.845 -7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.900 2.214 -8.892 1.00 0.00 H new ATOM 1452 N PHE A 96 10.486 3.643 -7.122 1.00 0.00 N ATOM 1453 CA PHE A 96 9.373 4.376 -6.542 1.00 0.00 C ATOM 1454 C PHE A 96 8.981 5.564 -7.422 1.00 0.00 C ATOM 1455 O PHE A 96 9.749 6.513 -7.568 1.00 0.00 O ATOM 1456 CB PHE A 96 9.840 4.896 -5.181 1.00 0.00 C ATOM 1457 CG PHE A 96 10.868 3.998 -4.491 1.00 0.00 C ATOM 1458 CD1 PHE A 96 12.195 4.167 -4.740 1.00 0.00 C ATOM 1459 CD2 PHE A 96 10.457 3.030 -3.629 1.00 0.00 C ATOM 1460 CE1 PHE A 96 13.149 3.334 -4.100 1.00 0.00 C ATOM 1461 CE2 PHE A 96 11.411 2.197 -2.989 1.00 0.00 C ATOM 1462 CZ PHE A 96 12.737 2.366 -3.237 1.00 0.00 C ATOM 0 H PHE A 96 11.307 4.210 -7.332 1.00 0.00 H new ATOM 0 HA PHE A 96 8.505 3.723 -6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.270 5.889 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.974 5.006 -4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 96 12.522 4.935 -5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.404 2.895 -3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 96 14.202 3.468 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.084 1.428 -2.305 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.463 1.732 -2.749 1.00 0.00 H new ATOM 1472 N THR A 97 7.785 5.473 -7.986 1.00 0.00 N ATOM 1473 CA THR A 97 7.282 6.529 -8.848 1.00 0.00 C ATOM 1474 C THR A 97 5.861 6.922 -8.437 1.00 0.00 C ATOM 1475 O THR A 97 5.028 6.058 -8.169 1.00 0.00 O ATOM 1476 CB THR A 97 7.384 6.047 -10.296 1.00 0.00 C ATOM 1477 OG1 THR A 97 8.735 6.320 -10.658 1.00 0.00 O ATOM 1478 CG2 THR A 97 6.560 6.904 -11.259 1.00 0.00 C ATOM 0 H THR A 97 7.150 4.684 -7.863 1.00 0.00 H new ATOM 0 HA THR A 97 7.878 7.436 -8.750 1.00 0.00 H new ATOM 0 HB THR A 97 7.051 5.011 -10.357 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.889 6.037 -11.583 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.668 6.518 -12.273 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.510 6.871 -10.968 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.914 7.934 -11.223 1.00 0.00 H new ATOM 1486 N ILE A 98 5.629 8.225 -8.401 1.00 0.00 N ATOM 1487 CA ILE A 98 4.323 8.743 -8.027 1.00 0.00 C ATOM 1488 C ILE A 98 3.923 9.855 -8.998 1.00 0.00 C ATOM 1489 O ILE A 98 4.743 10.704 -9.347 1.00 0.00 O ATOM 1490 CB ILE A 98 4.318 9.176 -6.560 1.00 0.00 C ATOM 1491 CG1 ILE A 98 2.911 9.089 -5.967 1.00 0.00 C ATOM 1492 CG2 ILE A 98 4.923 10.572 -6.398 1.00 0.00 C ATOM 1493 CD1 ILE A 98 2.878 9.655 -4.546 1.00 0.00 C ATOM 0 H ILE A 98 6.323 8.938 -8.625 1.00 0.00 H new ATOM 0 HA ILE A 98 3.567 7.962 -8.107 1.00 0.00 H new ATOM 0 HB ILE A 98 4.947 8.485 -5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 98 2.212 9.639 -6.597 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.581 8.050 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.907 10.856 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.952 10.566 -6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.341 11.290 -6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.866 9.581 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.559 9.087 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.185 10.701 -4.564 1.00 0.00 H new ATOM 1505 N ARG A 99 2.664 9.816 -9.406 1.00 0.00 N ATOM 1506 CA ARG A 99 2.145 10.811 -10.330 1.00 0.00 C ATOM 1507 C ARG A 99 0.926 11.511 -9.727 1.00 0.00 C ATOM 1508 O ARG A 99 0.078 10.867 -9.111 1.00 0.00 O ATOM 1509 CB ARG A 99 1.750 10.172 -11.663 1.00 0.00 C ATOM 1510 CG ARG A 99 2.976 9.962 -12.555 1.00 0.00 C ATOM 1511 CD ARG A 99 2.582 9.950 -14.033 1.00 0.00 C ATOM 1512 NE ARG A 99 3.572 10.712 -14.827 1.00 0.00 N ATOM 1513 CZ ARG A 99 3.845 12.010 -14.640 1.00 0.00 C ATOM 1514 NH1 ARG A 99 3.205 12.699 -13.685 1.00 0.00 N ATOM 1515 NH2 ARG A 99 4.759 12.620 -15.407 1.00 0.00 N ATOM 0 H ARG A 99 1.987 9.111 -9.114 1.00 0.00 H new ATOM 0 HA ARG A 99 2.935 11.540 -10.510 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.260 9.215 -11.481 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.028 10.808 -12.175 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.702 10.755 -12.375 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.461 9.021 -12.297 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.526 8.923 -14.395 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.591 10.386 -14.157 1.00 0.00 H new ATOM 0 HE ARG A 99 4.078 10.218 -15.562 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.510 12.235 -13.100 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.413 13.687 -13.543 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.247 12.096 -16.133 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.967 13.608 -15.264 1.00 0.00 H new ATOM 1529 N ASN A 100 0.876 12.820 -9.926 1.00 0.00 N ATOM 1530 CA ASN A 100 -0.225 13.614 -9.409 1.00 0.00 C ATOM 1531 C ASN A 100 -0.884 14.375 -10.561 1.00 0.00 C ATOM 1532 O ASN A 100 -0.222 15.135 -11.267 1.00 0.00 O ATOM 1533 CB ASN A 100 0.268 14.639 -8.386 1.00 0.00 C ATOM 1534 CG ASN A 100 -0.845 15.622 -8.015 1.00 0.00 C ATOM 1535 OD1 ASN A 100 -1.940 15.245 -7.631 1.00 0.00 O ATOM 1536 ND2 ASN A 100 -0.505 16.901 -8.151 1.00 0.00 N ATOM 0 H ASN A 100 1.581 13.350 -10.438 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.933 12.938 -8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.618 14.125 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.119 15.185 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.178 17.634 -7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.429 17.148 -8.477 1.00 0.00 H new ATOM 1543 N PRO A 101 -2.214 14.138 -10.721 1.00 0.00 N ATOM 1544 CA PRO A 101 -2.969 14.793 -11.775 1.00 0.00 C ATOM 1545 C PRO A 101 -3.237 16.259 -11.429 1.00 0.00 C ATOM 1546 O PRO A 101 -4.078 16.557 -10.583 1.00 0.00 O ATOM 1547 CB PRO A 101 -4.242 13.973 -11.914 1.00 0.00 C ATOM 1548 CG PRO A 101 -4.366 13.175 -10.626 1.00 0.00 C ATOM 1549 CD PRO A 101 -3.030 13.245 -9.904 1.00 0.00 C ATOM 0 HA PRO A 101 -2.428 14.828 -12.720 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.108 14.618 -12.059 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.189 13.312 -12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.160 13.582 -10.000 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.629 12.140 -10.842 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -3.147 13.631 -8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.574 12.259 -9.819 1.00 0.00 H new