USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 943 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 8 LYS NZ :NH3+ -141:sc= -0.462 (180deg=-0.0757) USER MOD Set 1.2: A 50 ASN : amide:sc= -3.69! C(o=-4.2!,f=-5.1!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.315 K(o=-0.31,f=-2.4!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.112 K(o=-0.11,f=-2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0376 K(o=-0.038,f=-0.91) USER MOD Single : A 44 MET CE :methyl -136:sc= -1.48 (180deg=-5.39!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 163:sc= -10.7! (180deg=-13.4!) USER MOD Single : A 49 GLN : amide:sc= -0.0248 X(o=-0.025,f=-0.34) USER MOD Single : A 52 HIS : no HE2:sc= -14.1! C(o=-14!,f=-21!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0401 X(o=-0.04,f=-0.42) USER MOD Single : A 57 SER OG : rot 180:sc= -0.666! USER MOD Single : A 60 ASN : amide:sc= 0.532 K(o=0.53,f=-0.97) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.19) USER MOD Single : A 76 ASN : amide:sc= -0.342 K(o=-0.34,f=-2.9!) USER MOD Single : A 79 THR OG1 : rot 160:sc= -1.35 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.593! USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.0032) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.31) USER MOD Single : A 106 ASN : amide:sc= -0.585 K(o=-0.59,f=-5.3!) USER MOD Single : A 110 LYS NZ :NH3+ -164:sc= 0.549 (180deg=0.415) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 153:sc= 0 (180deg=-0.555) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ILE A 7 -2.757 -9.411 -10.220 1.00 0.00 N ATOM 96 CA ILE A 7 -2.685 -8.062 -9.685 1.00 0.00 C ATOM 97 C ILE A 7 -3.846 -7.840 -8.713 1.00 0.00 C ATOM 98 O ILE A 7 -4.993 -8.152 -9.029 1.00 0.00 O ATOM 99 CB ILE A 7 -2.629 -7.037 -10.820 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.653 -7.481 -11.911 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.295 -5.643 -10.285 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.391 -8.183 -13.054 1.00 0.00 C ATOM 0 HA ILE A 7 -1.764 -7.926 -9.118 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.617 -6.978 -11.276 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.116 -6.615 -12.298 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.909 -8.154 -11.486 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.262 -4.934 -11.112 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.060 -5.334 -9.573 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.325 -5.667 -9.788 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.674 -8.489 -13.816 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.907 -9.062 -12.668 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.118 -7.499 -13.492 1.00 0.00 H new ATOM 114 N LYS A 8 -3.507 -7.303 -7.549 1.00 0.00 N ATOM 115 CA LYS A 8 -4.507 -7.035 -6.530 1.00 0.00 C ATOM 116 C LYS A 8 -4.073 -5.825 -5.701 1.00 0.00 C ATOM 117 O LYS A 8 -2.894 -5.677 -5.383 1.00 0.00 O ATOM 118 CB LYS A 8 -4.770 -8.291 -5.696 1.00 0.00 C ATOM 119 CG LYS A 8 -6.123 -8.911 -6.047 1.00 0.00 C ATOM 120 CD LYS A 8 -7.274 -8.062 -5.503 1.00 0.00 C ATOM 121 CE LYS A 8 -7.440 -8.267 -3.996 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.455 -9.309 -3.723 1.00 0.00 N ATOM 0 H LYS A 8 -2.554 -7.047 -7.290 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.462 -6.780 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.977 -9.019 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.746 -8.039 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.215 -9.003 -7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.183 -9.918 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.085 -7.009 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.200 -8.327 -6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.486 -8.556 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.737 -7.329 -3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.026 -9.030 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.073 -9.418 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.980 -10.213 -3.524 1.00 0.00 H new ATOM 136 N VAL A 9 -5.049 -4.991 -5.374 1.00 0.00 N ATOM 137 CA VAL A 9 -4.783 -3.799 -4.589 1.00 0.00 C ATOM 138 C VAL A 9 -5.706 -3.780 -3.369 1.00 0.00 C ATOM 139 O VAL A 9 -6.886 -4.112 -3.474 1.00 0.00 O ATOM 140 CB VAL A 9 -4.925 -2.553 -5.464 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.559 -2.074 -5.961 1.00 0.00 C ATOM 142 CG2 VAL A 9 -5.876 -2.810 -6.635 1.00 0.00 C ATOM 0 H VAL A 9 -6.026 -5.118 -5.639 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.757 -3.806 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.355 -1.761 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.688 -1.187 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.926 -1.831 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.089 -2.862 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.959 -1.908 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.488 -3.624 -7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.860 -3.081 -6.252 1.00 0.00 H new ATOM 152 N LEU A 10 -5.135 -3.387 -2.239 1.00 0.00 N ATOM 153 CA LEU A 10 -5.893 -3.322 -1.001 1.00 0.00 C ATOM 154 C LEU A 10 -5.868 -1.887 -0.469 1.00 0.00 C ATOM 155 O LEU A 10 -4.799 -1.342 -0.195 1.00 0.00 O ATOM 156 CB LEU A 10 -5.376 -4.357 -0.001 1.00 0.00 C ATOM 157 CG LEU A 10 -5.283 -3.897 1.455 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.041 -3.031 1.678 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.565 -3.180 1.886 1.00 0.00 C ATOM 0 H LEU A 10 -4.157 -3.111 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.937 -3.579 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.026 -5.231 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.386 -4.680 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.179 -4.780 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.999 -2.717 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.148 -3.607 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.091 -2.151 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.473 -2.863 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.724 -2.307 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.412 -3.859 1.787 1.00 0.00 H new ATOM 171 N ILE A 11 -7.056 -1.317 -0.339 1.00 0.00 N ATOM 172 CA ILE A 11 -7.184 0.044 0.155 1.00 0.00 C ATOM 173 C ILE A 11 -7.917 0.028 1.497 1.00 0.00 C ATOM 174 O ILE A 11 -9.143 0.120 1.539 1.00 0.00 O ATOM 175 CB ILE A 11 -7.846 0.937 -0.897 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.144 0.310 -1.409 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.875 1.253 -2.037 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.864 -0.701 -2.522 1.00 0.00 C ATOM 0 H ILE A 11 -7.940 -1.773 -0.567 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.200 0.478 0.334 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.109 1.884 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.662 -0.183 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.807 1.091 -1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.370 1.889 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.002 1.770 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.560 0.325 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.804 -1.131 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.368 -0.199 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.221 -1.494 -2.140 1.00 0.00 H new ATOM 190 N VAL A 12 -7.136 -0.091 2.561 1.00 0.00 N ATOM 191 CA VAL A 12 -7.697 -0.120 3.901 1.00 0.00 C ATOM 192 C VAL A 12 -7.050 0.980 4.745 1.00 0.00 C ATOM 193 O VAL A 12 -5.838 1.185 4.680 1.00 0.00 O ATOM 194 CB VAL A 12 -7.528 -1.515 4.508 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.086 -1.744 4.966 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.511 -1.734 5.660 1.00 0.00 C ATOM 0 H VAL A 12 -6.120 -0.168 2.522 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.768 0.081 3.871 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.752 -2.247 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.994 -2.743 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.414 -1.651 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.821 -1.002 5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.370 -2.733 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.332 -0.991 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.532 -1.635 5.291 1.00 0.00 H new ATOM 206 N ASP A 13 -7.887 1.660 5.515 1.00 0.00 N ATOM 207 CA ASP A 13 -7.411 2.733 6.370 1.00 0.00 C ATOM 208 C ASP A 13 -8.277 2.799 7.630 1.00 0.00 C ATOM 209 O ASP A 13 -9.304 2.126 7.717 1.00 0.00 O ATOM 210 CB ASP A 13 -7.508 4.085 5.661 1.00 0.00 C ATOM 211 CG ASP A 13 -6.894 4.125 4.259 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.221 3.212 3.471 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.114 5.069 4.008 1.00 0.00 O ATOM 0 H ASP A 13 -8.891 1.488 5.564 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.370 2.528 6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.559 4.366 5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.018 4.838 6.278 1.00 0.00 H new ATOM 218 N ASP A 14 -7.830 3.613 8.575 1.00 0.00 N ATOM 219 CA ASP A 14 -8.551 3.774 9.826 1.00 0.00 C ATOM 220 C ASP A 14 -9.740 4.711 9.607 1.00 0.00 C ATOM 221 O ASP A 14 -10.607 4.834 10.472 1.00 0.00 O ATOM 222 CB ASP A 14 -7.656 4.389 10.903 1.00 0.00 C ATOM 223 CG ASP A 14 -7.924 3.896 12.327 1.00 0.00 C ATOM 224 OD1 ASP A 14 -9.026 3.345 12.538 1.00 0.00 O ATOM 225 OD2 ASP A 14 -7.022 4.082 13.171 1.00 0.00 O ATOM 0 H ASP A 14 -6.978 4.168 8.499 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.883 2.789 10.153 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.616 4.180 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.778 5.472 10.881 1.00 0.00 H new ATOM 230 N GLN A 15 -9.745 5.349 8.446 1.00 0.00 N ATOM 231 CA GLN A 15 -10.813 6.272 8.103 1.00 0.00 C ATOM 232 C GLN A 15 -11.032 6.290 6.588 1.00 0.00 C ATOM 233 O GLN A 15 -10.072 6.324 5.819 1.00 0.00 O ATOM 234 CB GLN A 15 -10.515 7.677 8.631 1.00 0.00 C ATOM 235 CG GLN A 15 -11.787 8.347 9.153 1.00 0.00 C ATOM 236 CD GLN A 15 -11.599 8.834 10.591 1.00 0.00 C ATOM 237 OE1 GLN A 15 -11.487 10.018 10.863 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.570 7.858 11.493 1.00 0.00 N ATOM 0 H GLN A 15 -9.026 5.245 7.730 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.731 5.928 8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.776 7.620 9.430 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.080 8.283 7.837 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.049 9.188 8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.618 7.643 9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.670 6.887 11.197 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.448 8.080 12.481 1.00 0.00 H new ATOM 247 N VAL A 16 -12.300 6.267 6.205 1.00 0.00 N ATOM 248 CA VAL A 16 -12.657 6.281 4.797 1.00 0.00 C ATOM 249 C VAL A 16 -11.905 7.414 4.096 1.00 0.00 C ATOM 250 O VAL A 16 -11.257 7.194 3.074 1.00 0.00 O ATOM 251 CB VAL A 16 -14.175 6.386 4.643 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.818 4.999 4.580 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.785 7.221 5.771 1.00 0.00 C ATOM 0 H VAL A 16 -13.093 6.239 6.846 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.359 5.348 4.318 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.380 6.894 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.897 5.103 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.418 4.451 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.597 4.454 5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.865 7.280 5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.563 6.754 6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.362 8.225 5.750 1.00 0.00 H new ATOM 263 N THR A 17 -12.016 8.601 4.672 1.00 0.00 N ATOM 264 CA THR A 17 -11.356 9.769 4.115 1.00 0.00 C ATOM 265 C THR A 17 -9.960 9.400 3.608 1.00 0.00 C ATOM 266 O THR A 17 -9.622 9.673 2.458 1.00 0.00 O ATOM 267 CB THR A 17 -11.343 10.861 5.187 1.00 0.00 C ATOM 268 OG1 THR A 17 -10.621 10.278 6.268 1.00 0.00 O ATOM 269 CG2 THR A 17 -12.733 11.127 5.768 1.00 0.00 C ATOM 0 H THR A 17 -12.554 8.780 5.520 1.00 0.00 H new ATOM 0 HA THR A 17 -11.894 10.151 3.247 1.00 0.00 H new ATOM 0 HB THR A 17 -10.945 11.782 4.762 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.563 10.920 7.007 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.668 11.910 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.405 11.446 4.972 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.118 10.214 6.223 1.00 0.00 H new ATOM 277 N SER A 18 -9.187 8.785 4.491 1.00 0.00 N ATOM 278 CA SER A 18 -7.836 8.376 4.146 1.00 0.00 C ATOM 279 C SER A 18 -7.874 7.325 3.035 1.00 0.00 C ATOM 280 O SER A 18 -7.228 7.487 2.001 1.00 0.00 O ATOM 281 CB SER A 18 -7.098 7.827 5.370 1.00 0.00 C ATOM 282 OG SER A 18 -6.810 8.848 6.321 1.00 0.00 O ATOM 0 H SER A 18 -9.470 8.560 5.445 1.00 0.00 H new ATOM 0 HA SER A 18 -7.294 9.252 3.790 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.703 7.053 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.168 7.355 5.052 1.00 0.00 H new ATOM 0 HG SER A 18 -6.341 8.458 7.088 1.00 0.00 H new ATOM 288 N ARG A 19 -8.639 6.273 3.285 1.00 0.00 N ATOM 289 CA ARG A 19 -8.771 5.196 2.319 1.00 0.00 C ATOM 290 C ARG A 19 -9.434 5.709 1.039 1.00 0.00 C ATOM 291 O ARG A 19 -8.781 5.837 0.005 1.00 0.00 O ATOM 292 CB ARG A 19 -9.601 4.043 2.887 1.00 0.00 C ATOM 293 CG ARG A 19 -9.448 2.784 2.032 1.00 0.00 C ATOM 294 CD ARG A 19 -10.408 2.810 0.840 1.00 0.00 C ATOM 295 NE ARG A 19 -11.799 2.621 1.307 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.755 2.011 0.593 1.00 0.00 C ATOM 297 NH1 ARG A 19 -12.476 1.529 -0.626 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.990 1.885 1.097 1.00 0.00 N ATOM 0 H ARG A 19 -9.174 6.143 4.144 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.769 4.830 2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.287 3.833 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.651 4.333 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.421 2.705 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.642 1.901 2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.319 3.759 0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.143 2.025 0.132 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.046 2.977 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.536 1.626 -1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.204 1.065 -1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.203 2.253 2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.718 1.421 0.554 1.00 0.00 H new ATOM 312 N LEU A 20 -10.723 5.992 1.151 1.00 0.00 N ATOM 313 CA LEU A 20 -11.482 6.489 0.016 1.00 0.00 C ATOM 314 C LEU A 20 -10.618 7.469 -0.780 1.00 0.00 C ATOM 315 O LEU A 20 -10.750 7.571 -1.999 1.00 0.00 O ATOM 316 CB LEU A 20 -12.815 7.080 0.480 1.00 0.00 C ATOM 317 CG LEU A 20 -13.034 8.563 0.173 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.424 9.016 0.620 1.00 0.00 C ATOM 319 CD2 LEU A 20 -11.926 9.420 0.791 1.00 0.00 C ATOM 0 H LEU A 20 -11.262 5.887 2.011 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.740 5.672 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.622 6.511 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -12.898 6.936 1.557 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.983 8.699 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.553 10.074 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.182 8.435 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.529 8.863 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.105 10.470 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.921 9.284 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.962 9.117 0.383 1.00 0.00 H new ATOM 331 N LEU A 21 -9.753 8.166 -0.058 1.00 0.00 N ATOM 332 CA LEU A 21 -8.868 9.135 -0.681 1.00 0.00 C ATOM 333 C LEU A 21 -7.888 8.405 -1.602 1.00 0.00 C ATOM 334 O LEU A 21 -7.747 8.760 -2.772 1.00 0.00 O ATOM 335 CB LEU A 21 -8.186 9.999 0.381 1.00 0.00 C ATOM 336 CG LEU A 21 -8.918 11.284 0.773 1.00 0.00 C ATOM 337 CD1 LEU A 21 -8.444 11.790 2.137 1.00 0.00 C ATOM 338 CD2 LEU A 21 -8.777 12.349 -0.316 1.00 0.00 C ATOM 0 H LEU A 21 -9.646 8.079 0.953 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.437 9.826 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.048 9.395 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.193 10.266 0.020 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.980 11.058 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.980 12.704 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.640 11.031 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.374 11.995 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.306 13.252 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.722 12.579 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.202 11.975 -1.248 1.00 0.00 H new ATOM 350 N LEU A 22 -7.235 7.398 -1.041 1.00 0.00 N ATOM 351 CA LEU A 22 -6.272 6.615 -1.797 1.00 0.00 C ATOM 352 C LEU A 22 -7.014 5.759 -2.826 1.00 0.00 C ATOM 353 O LEU A 22 -6.621 5.704 -3.990 1.00 0.00 O ATOM 354 CB LEU A 22 -5.381 5.806 -0.853 1.00 0.00 C ATOM 355 CG LEU A 22 -6.107 4.936 0.174 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.776 3.736 -0.498 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.160 4.509 1.298 1.00 0.00 C ATOM 0 H LEU A 22 -7.354 7.106 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.599 7.270 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.738 5.163 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.730 6.498 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.898 5.533 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.285 3.134 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.501 4.088 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.020 3.130 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.701 3.891 2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.332 3.937 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.771 5.394 1.802 1.00 0.00 H new ATOM 369 N GLY A 23 -8.074 5.115 -2.360 1.00 0.00 N ATOM 370 CA GLY A 23 -8.874 4.265 -3.227 1.00 0.00 C ATOM 371 C GLY A 23 -9.400 5.049 -4.429 1.00 0.00 C ATOM 372 O GLY A 23 -9.585 4.489 -5.509 1.00 0.00 O ATOM 0 H GLY A 23 -8.398 5.164 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.273 3.423 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.710 3.850 -2.664 1.00 0.00 H new ATOM 376 N ASP A 24 -9.629 6.335 -4.202 1.00 0.00 N ATOM 377 CA ASP A 24 -10.131 7.203 -5.255 1.00 0.00 C ATOM 378 C ASP A 24 -8.999 7.518 -6.235 1.00 0.00 C ATOM 379 O ASP A 24 -9.165 7.379 -7.446 1.00 0.00 O ATOM 380 CB ASP A 24 -10.641 8.526 -4.680 1.00 0.00 C ATOM 381 CG ASP A 24 -12.137 8.561 -4.366 1.00 0.00 C ATOM 382 OD1 ASP A 24 -12.773 7.493 -4.511 1.00 0.00 O ATOM 383 OD2 ASP A 24 -12.613 9.652 -3.986 1.00 0.00 O ATOM 0 H ASP A 24 -9.476 6.796 -3.305 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.950 6.687 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.088 8.745 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.415 9.323 -5.388 1.00 0.00 H new ATOM 388 N ALA A 25 -7.873 7.935 -5.674 1.00 0.00 N ATOM 389 CA ALA A 25 -6.714 8.270 -6.484 1.00 0.00 C ATOM 390 C ALA A 25 -6.189 7.005 -7.165 1.00 0.00 C ATOM 391 O ALA A 25 -5.876 7.020 -8.354 1.00 0.00 O ATOM 392 CB ALA A 25 -5.655 8.941 -5.607 1.00 0.00 C ATOM 0 H ALA A 25 -7.739 8.048 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.986 8.977 -7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.786 9.192 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.067 9.850 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.356 8.259 -4.811 1.00 0.00 H new ATOM 398 N LEU A 26 -6.109 5.939 -6.381 1.00 0.00 N ATOM 399 CA LEU A 26 -5.629 4.668 -6.895 1.00 0.00 C ATOM 400 C LEU A 26 -6.473 4.257 -8.103 1.00 0.00 C ATOM 401 O LEU A 26 -5.935 3.894 -9.147 1.00 0.00 O ATOM 402 CB LEU A 26 -5.598 3.618 -5.782 1.00 0.00 C ATOM 403 CG LEU A 26 -4.323 3.575 -4.936 1.00 0.00 C ATOM 404 CD1 LEU A 26 -3.075 3.602 -5.823 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.314 4.702 -3.901 1.00 0.00 C ATOM 0 H LEU A 26 -6.368 5.930 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.600 4.763 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.445 3.795 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.745 2.636 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.308 2.633 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.183 3.571 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.082 2.738 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.070 4.516 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.398 4.649 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.363 5.664 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.175 4.597 -3.241 1.00 0.00 H new ATOM 417 N GLN A 27 -7.784 4.329 -7.920 1.00 0.00 N ATOM 418 CA GLN A 27 -8.709 3.969 -8.982 1.00 0.00 C ATOM 419 C GLN A 27 -8.479 4.857 -10.208 1.00 0.00 C ATOM 420 O GLN A 27 -8.677 4.420 -11.340 1.00 0.00 O ATOM 421 CB GLN A 27 -10.157 4.061 -8.502 1.00 0.00 C ATOM 422 CG GLN A 27 -10.637 5.515 -8.479 1.00 0.00 C ATOM 423 CD GLN A 27 -12.016 5.647 -9.128 1.00 0.00 C ATOM 424 OE1 GLN A 27 -12.668 4.673 -9.465 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.422 6.904 -9.283 1.00 0.00 N ATOM 0 H GLN A 27 -8.227 4.631 -7.052 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.521 2.934 -9.267 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.799 3.473 -9.158 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.241 3.631 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.680 5.871 -7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.921 6.146 -9.005 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.826 7.674 -8.978 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.329 7.098 -9.706 1.00 0.00 H new ATOM 434 N GLN A 28 -8.067 6.087 -9.939 1.00 0.00 N ATOM 435 CA GLN A 28 -7.809 7.039 -11.006 1.00 0.00 C ATOM 436 C GLN A 28 -6.507 6.689 -11.728 1.00 0.00 C ATOM 437 O GLN A 28 -6.215 7.237 -12.790 1.00 0.00 O ATOM 438 CB GLN A 28 -7.768 8.470 -10.465 1.00 0.00 C ATOM 439 CG GLN A 28 -8.345 9.457 -11.482 1.00 0.00 C ATOM 440 CD GLN A 28 -8.164 10.901 -11.008 1.00 0.00 C ATOM 441 OE1 GLN A 28 -8.000 11.180 -9.832 1.00 0.00 O ATOM 442 NE2 GLN A 28 -8.203 11.800 -11.987 1.00 0.00 N ATOM 0 H GLN A 28 -7.905 6.446 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.626 6.979 -11.725 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.334 8.528 -9.535 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.740 8.744 -10.230 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.852 9.322 -12.445 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.404 9.250 -11.634 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.344 11.498 -12.951 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.092 12.791 -11.774 1.00 0.00 H new ATOM 451 N LEU A 29 -5.760 5.777 -11.123 1.00 0.00 N ATOM 452 CA LEU A 29 -4.495 5.346 -11.696 1.00 0.00 C ATOM 453 C LEU A 29 -4.754 4.236 -12.716 1.00 0.00 C ATOM 454 O LEU A 29 -4.246 4.286 -13.835 1.00 0.00 O ATOM 455 CB LEU A 29 -3.515 4.948 -10.590 1.00 0.00 C ATOM 456 CG LEU A 29 -3.393 3.449 -10.309 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.555 2.757 -11.385 1.00 0.00 C ATOM 458 CD2 LEU A 29 -2.843 3.198 -8.904 1.00 0.00 C ATOM 0 H LEU A 29 -6.006 5.325 -10.242 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.020 6.167 -12.232 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.528 5.330 -10.852 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.816 5.447 -9.669 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.391 3.011 -10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.484 1.692 -11.162 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.028 2.893 -12.358 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.556 3.192 -11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.766 2.125 -8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.856 3.652 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.514 3.638 -8.167 1.00 0.00 H new ATOM 470 N GLY A 30 -5.545 3.261 -12.294 1.00 0.00 N ATOM 471 CA GLY A 30 -5.878 2.140 -13.158 1.00 0.00 C ATOM 472 C GLY A 30 -5.413 0.818 -12.544 1.00 0.00 C ATOM 473 O GLY A 30 -4.584 0.118 -13.124 1.00 0.00 O ATOM 0 H GLY A 30 -5.965 3.223 -11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.955 2.110 -13.322 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.411 2.276 -14.133 1.00 0.00 H new ATOM 477 N PHE A 31 -5.966 0.516 -11.379 1.00 0.00 N ATOM 478 CA PHE A 31 -5.619 -0.710 -10.681 1.00 0.00 C ATOM 479 C PHE A 31 -6.307 -1.918 -11.319 1.00 0.00 C ATOM 480 O PHE A 31 -7.159 -1.763 -12.190 1.00 0.00 O ATOM 481 CB PHE A 31 -6.111 -0.559 -9.240 1.00 0.00 C ATOM 482 CG PHE A 31 -7.630 -0.429 -9.112 1.00 0.00 C ATOM 483 CD1 PHE A 31 -8.435 -1.460 -9.483 1.00 0.00 C ATOM 484 CD2 PHE A 31 -8.176 0.720 -8.628 1.00 0.00 C ATOM 485 CE1 PHE A 31 -9.844 -1.339 -9.364 1.00 0.00 C ATOM 486 CE2 PHE A 31 -9.586 0.841 -8.509 1.00 0.00 C ATOM 487 CZ PHE A 31 -10.391 -0.192 -8.880 1.00 0.00 C ATOM 0 H PHE A 31 -6.652 1.099 -10.901 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.542 -0.873 -10.728 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.780 -1.422 -8.662 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.643 0.320 -8.797 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.002 -2.371 -9.868 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.537 1.540 -8.334 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.483 -2.159 -9.658 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.019 1.752 -8.124 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.463 -0.101 -8.790 1.00 0.00 H new ATOM 497 N LYS A 32 -5.910 -3.096 -10.858 1.00 0.00 N ATOM 498 CA LYS A 32 -6.478 -4.330 -11.373 1.00 0.00 C ATOM 499 C LYS A 32 -7.772 -4.643 -10.619 1.00 0.00 C ATOM 500 O LYS A 32 -8.848 -4.675 -11.215 1.00 0.00 O ATOM 501 CB LYS A 32 -5.446 -5.459 -11.318 1.00 0.00 C ATOM 502 CG LYS A 32 -5.348 -6.178 -12.665 1.00 0.00 C ATOM 503 CD LYS A 32 -4.241 -5.573 -13.530 1.00 0.00 C ATOM 504 CE LYS A 32 -4.420 -5.963 -14.999 1.00 0.00 C ATOM 505 NZ LYS A 32 -3.616 -5.077 -15.871 1.00 0.00 N ATOM 0 H LYS A 32 -5.202 -3.221 -10.134 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.740 -4.219 -12.425 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.472 -5.053 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.722 -6.171 -10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.149 -7.237 -12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.302 -6.109 -13.188 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.252 -4.487 -13.434 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.269 -5.915 -13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.118 -7.000 -15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.473 -5.896 -15.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.748 -5.355 -16.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.924 -4.092 -15.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.611 -5.161 -15.619 1.00 0.00 H new ATOM 519 N GLN A 33 -7.625 -4.868 -9.322 1.00 0.00 N ATOM 520 CA GLN A 33 -8.769 -5.178 -8.483 1.00 0.00 C ATOM 521 C GLN A 33 -8.606 -4.535 -7.104 1.00 0.00 C ATOM 522 O GLN A 33 -7.931 -5.083 -6.235 1.00 0.00 O ATOM 523 CB GLN A 33 -8.966 -6.690 -8.361 1.00 0.00 C ATOM 524 CG GLN A 33 -10.359 -7.102 -8.845 1.00 0.00 C ATOM 525 CD GLN A 33 -10.371 -8.562 -9.301 1.00 0.00 C ATOM 526 OE1 GLN A 33 -9.355 -9.239 -9.332 1.00 0.00 O ATOM 527 NE2 GLN A 33 -11.573 -9.008 -9.654 1.00 0.00 N ATOM 0 H GLN A 33 -6.731 -4.842 -8.832 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.661 -4.764 -8.953 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.206 -7.208 -8.946 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.833 -6.995 -7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.083 -6.962 -8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.667 -6.458 -9.668 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.382 -8.388 -9.604 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.686 -9.970 -9.975 1.00 0.00 H new ATOM 536 N ILE A 34 -9.234 -3.379 -6.947 1.00 0.00 N ATOM 537 CA ILE A 34 -9.167 -2.655 -5.689 1.00 0.00 C ATOM 538 C ILE A 34 -10.008 -3.384 -4.640 1.00 0.00 C ATOM 539 O ILE A 34 -11.094 -3.876 -4.941 1.00 0.00 O ATOM 540 CB ILE A 34 -9.570 -1.193 -5.891 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.347 -0.275 -5.838 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.643 -0.775 -4.883 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.766 1.197 -5.810 1.00 0.00 C ATOM 0 H ILE A 34 -9.792 -2.926 -7.671 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.143 -2.632 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.006 -1.094 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.754 -0.505 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.712 -0.459 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.911 0.268 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.526 -1.401 -5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.257 -0.894 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.878 1.828 -5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.338 1.430 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.381 1.384 -4.930 1.00 0.00 H new ATOM 555 N THR A 35 -9.473 -3.433 -3.428 1.00 0.00 N ATOM 556 CA THR A 35 -10.160 -4.095 -2.333 1.00 0.00 C ATOM 557 C THR A 35 -9.971 -3.310 -1.033 1.00 0.00 C ATOM 558 O THR A 35 -8.853 -3.188 -0.535 1.00 0.00 O ATOM 559 CB THR A 35 -9.648 -5.534 -2.253 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.816 -6.305 -1.986 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.757 -5.773 -1.033 1.00 0.00 C ATOM 0 H THR A 35 -8.571 -3.025 -3.181 1.00 0.00 H new ATOM 0 HA THR A 35 -11.236 -4.127 -2.504 1.00 0.00 H new ATOM 0 HB THR A 35 -9.092 -5.771 -3.160 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.575 -7.253 -1.920 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.421 -6.810 -1.025 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.892 -5.112 -1.079 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.322 -5.568 -0.124 1.00 0.00 H new ATOM 569 N ALA A 36 -11.080 -2.799 -0.521 1.00 0.00 N ATOM 570 CA ALA A 36 -11.051 -2.030 0.711 1.00 0.00 C ATOM 571 C ALA A 36 -11.436 -2.934 1.882 1.00 0.00 C ATOM 572 O ALA A 36 -12.234 -3.857 1.721 1.00 0.00 O ATOM 573 CB ALA A 36 -11.977 -0.819 0.580 1.00 0.00 C ATOM 0 H ALA A 36 -12.005 -2.902 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.047 -1.653 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.955 -0.242 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.642 -0.192 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.995 -1.158 0.388 1.00 0.00 H new ATOM 579 N ALA A 37 -10.852 -2.641 3.034 1.00 0.00 N ATOM 580 CA ALA A 37 -11.126 -3.416 4.232 1.00 0.00 C ATOM 581 C ALA A 37 -11.381 -2.466 5.403 1.00 0.00 C ATOM 582 O ALA A 37 -11.390 -1.248 5.229 1.00 0.00 O ATOM 583 CB ALA A 37 -9.960 -4.371 4.499 1.00 0.00 C ATOM 0 H ALA A 37 -10.189 -1.877 3.163 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.022 -4.023 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.165 -4.953 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.840 -5.044 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.044 -3.797 4.639 1.00 0.00 H new ATOM 589 N GLY A 38 -11.582 -3.058 6.572 1.00 0.00 N ATOM 590 CA GLY A 38 -11.836 -2.279 7.771 1.00 0.00 C ATOM 591 C GLY A 38 -10.650 -1.369 8.096 1.00 0.00 C ATOM 592 O GLY A 38 -10.804 -0.151 8.188 1.00 0.00 O ATOM 0 H GLY A 38 -11.574 -4.068 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.734 -1.677 7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.026 -2.948 8.610 1.00 0.00 H new ATOM 596 N ASP A 39 -9.493 -1.992 8.260 1.00 0.00 N ATOM 597 CA ASP A 39 -8.283 -1.254 8.573 1.00 0.00 C ATOM 598 C ASP A 39 -7.119 -2.235 8.735 1.00 0.00 C ATOM 599 O ASP A 39 -7.329 -3.444 8.809 1.00 0.00 O ATOM 600 CB ASP A 39 -8.432 -0.478 9.882 1.00 0.00 C ATOM 601 CG ASP A 39 -9.523 -0.998 10.821 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.197 -1.896 11.627 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.658 -0.486 10.711 1.00 0.00 O ATOM 0 H ASP A 39 -9.368 -3.001 8.182 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.097 -0.554 7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.479 -0.499 10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.643 0.565 9.647 1.00 0.00 H new ATOM 608 N GLY A 40 -5.919 -1.677 8.783 1.00 0.00 N ATOM 609 CA GLY A 40 -4.722 -2.486 8.935 1.00 0.00 C ATOM 610 C GLY A 40 -5.004 -3.951 8.589 1.00 0.00 C ATOM 611 O GLY A 40 -5.259 -4.281 7.433 1.00 0.00 O ATOM 0 H GLY A 40 -5.750 -0.673 8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.934 -2.101 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.357 -2.414 9.960 1.00 0.00 H new ATOM 615 N GLU A 41 -4.948 -4.789 9.614 1.00 0.00 N ATOM 616 CA GLU A 41 -5.193 -6.209 9.433 1.00 0.00 C ATOM 617 C GLU A 41 -6.511 -6.429 8.686 1.00 0.00 C ATOM 618 O GLU A 41 -6.546 -7.131 7.676 1.00 0.00 O ATOM 619 CB GLU A 41 -5.196 -6.941 10.777 1.00 0.00 C ATOM 620 CG GLU A 41 -6.523 -6.735 11.510 1.00 0.00 C ATOM 621 CD GLU A 41 -6.537 -7.492 12.840 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.468 -8.032 13.197 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.616 -7.511 13.471 1.00 0.00 O ATOM 0 H GLU A 41 -4.737 -4.511 10.572 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.383 -6.624 8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.027 -8.006 10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.375 -6.578 11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.682 -5.672 11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.346 -7.078 10.883 1.00 0.00 H new ATOM 630 N GLN A 42 -7.562 -5.816 9.212 1.00 0.00 N ATOM 631 CA GLN A 42 -8.878 -5.937 8.608 1.00 0.00 C ATOM 632 C GLN A 42 -8.762 -5.949 7.082 1.00 0.00 C ATOM 633 O GLN A 42 -9.592 -6.547 6.399 1.00 0.00 O ATOM 634 CB GLN A 42 -9.801 -4.813 9.079 1.00 0.00 C ATOM 635 CG GLN A 42 -10.860 -5.342 10.049 1.00 0.00 C ATOM 636 CD GLN A 42 -12.139 -5.733 9.306 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.148 -5.951 8.106 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.215 -5.807 10.084 1.00 0.00 N ATOM 0 H GLN A 42 -7.529 -5.234 10.049 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.318 -6.882 8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.213 -4.035 9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.288 -4.353 8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.468 -6.207 10.585 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.087 -4.581 10.795 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.137 -5.612 11.082 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.118 -6.059 9.683 1.00 0.00 H new ATOM 647 N GLY A 43 -7.727 -5.281 6.594 1.00 0.00 N ATOM 648 CA GLY A 43 -7.492 -5.208 5.162 1.00 0.00 C ATOM 649 C GLY A 43 -6.278 -6.049 4.761 1.00 0.00 C ATOM 650 O GLY A 43 -6.326 -6.784 3.777 1.00 0.00 O ATOM 0 H GLY A 43 -7.042 -4.786 7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.374 -5.559 4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.333 -4.170 4.869 1.00 0.00 H new ATOM 654 N MET A 44 -5.218 -5.910 5.545 1.00 0.00 N ATOM 655 CA MET A 44 -3.994 -6.648 5.284 1.00 0.00 C ATOM 656 C MET A 44 -4.265 -8.152 5.214 1.00 0.00 C ATOM 657 O MET A 44 -3.854 -8.817 4.263 1.00 0.00 O ATOM 658 CB MET A 44 -2.980 -6.363 6.393 1.00 0.00 C ATOM 659 CG MET A 44 -2.160 -7.612 6.721 1.00 0.00 C ATOM 660 SD MET A 44 -1.316 -8.189 5.257 1.00 0.00 S ATOM 661 CE MET A 44 0.346 -7.650 5.625 1.00 0.00 C ATOM 0 H MET A 44 -5.182 -5.298 6.360 1.00 0.00 H new ATOM 0 HA MET A 44 -3.595 -6.325 4.323 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.314 -5.558 6.083 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.501 -6.020 7.287 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.436 -7.386 7.504 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.813 -8.395 7.107 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.787 -7.198 4.737 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.321 -6.916 6.431 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.946 -8.506 5.933 1.00 0.00 H new ATOM 671 N LYS A 45 -4.954 -8.645 6.232 1.00 0.00 N ATOM 672 CA LYS A 45 -5.285 -10.059 6.298 1.00 0.00 C ATOM 673 C LYS A 45 -6.049 -10.458 5.034 1.00 0.00 C ATOM 674 O LYS A 45 -5.856 -11.554 4.509 1.00 0.00 O ATOM 675 CB LYS A 45 -6.031 -10.374 7.595 1.00 0.00 C ATOM 676 CG LYS A 45 -5.289 -9.810 8.807 1.00 0.00 C ATOM 677 CD LYS A 45 -4.659 -10.932 9.636 1.00 0.00 C ATOM 678 CE LYS A 45 -5.735 -11.810 10.277 1.00 0.00 C ATOM 679 NZ LYS A 45 -5.116 -12.851 11.127 1.00 0.00 N ATOM 0 H LYS A 45 -5.293 -8.091 7.018 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.378 -10.663 6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.036 -9.954 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.141 -11.453 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.514 -9.120 8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.980 -9.239 9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.017 -11.542 9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.024 -10.504 10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.406 -11.194 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.340 -12.278 9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.860 -13.438 11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.494 -13.449 10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.558 -12.399 11.879 1.00 0.00 H new ATOM 693 N ILE A 46 -6.900 -9.549 4.584 1.00 0.00 N ATOM 694 CA ILE A 46 -7.694 -9.793 3.392 1.00 0.00 C ATOM 695 C ILE A 46 -6.762 -10.062 2.209 1.00 0.00 C ATOM 696 O ILE A 46 -6.990 -10.988 1.432 1.00 0.00 O ATOM 697 CB ILE A 46 -8.673 -8.642 3.155 1.00 0.00 C ATOM 698 CG1 ILE A 46 -10.026 -8.929 3.810 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.813 -8.339 1.661 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.844 -9.602 5.172 1.00 0.00 C ATOM 0 H ILE A 46 -7.057 -8.642 5.023 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.310 -10.683 3.521 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.269 -7.747 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.580 -7.998 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.620 -9.571 3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.515 -7.517 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.841 -8.060 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.183 -9.224 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.821 -9.795 5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.311 -10.544 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.270 -8.947 5.828 1.00 0.00 H new ATOM 712 N MET A 47 -5.732 -9.234 2.110 1.00 0.00 N ATOM 713 CA MET A 47 -4.764 -9.370 1.035 1.00 0.00 C ATOM 714 C MET A 47 -3.954 -10.659 1.185 1.00 0.00 C ATOM 715 O MET A 47 -3.546 -11.261 0.193 1.00 0.00 O ATOM 716 CB MET A 47 -3.817 -8.168 1.045 1.00 0.00 C ATOM 717 CG MET A 47 -4.511 -6.919 0.499 1.00 0.00 C ATOM 718 SD MET A 47 -4.657 -7.028 -1.277 1.00 0.00 S ATOM 719 CE MET A 47 -3.110 -6.281 -1.761 1.00 0.00 C ATOM 0 H MET A 47 -5.547 -8.467 2.756 1.00 0.00 H new ATOM 0 HA MET A 47 -5.304 -9.411 0.089 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.471 -7.981 2.062 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.935 -8.390 0.444 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.499 -6.817 0.948 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.943 -6.029 0.771 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.894 -6.532 -2.800 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.180 -5.198 -1.656 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.310 -6.656 -1.123 1.00 0.00 H new ATOM 729 N ALA A 48 -3.745 -11.046 2.435 1.00 0.00 N ATOM 730 CA ALA A 48 -2.991 -12.253 2.729 1.00 0.00 C ATOM 731 C ALA A 48 -3.736 -13.465 2.166 1.00 0.00 C ATOM 732 O ALA A 48 -3.138 -14.314 1.507 1.00 0.00 O ATOM 733 CB ALA A 48 -2.763 -12.359 4.239 1.00 0.00 C ATOM 0 H ALA A 48 -4.085 -10.545 3.256 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.011 -12.218 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.197 -13.264 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.204 -11.489 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.725 -12.399 4.750 1.00 0.00 H new ATOM 739 N GLN A 49 -5.030 -13.506 2.446 1.00 0.00 N ATOM 740 CA GLN A 49 -5.864 -14.599 1.976 1.00 0.00 C ATOM 741 C GLN A 49 -5.947 -14.584 0.447 1.00 0.00 C ATOM 742 O GLN A 49 -5.517 -15.530 -0.211 1.00 0.00 O ATOM 743 CB GLN A 49 -7.258 -14.534 2.601 1.00 0.00 C ATOM 744 CG GLN A 49 -7.172 -14.319 4.113 1.00 0.00 C ATOM 745 CD GLN A 49 -7.513 -15.604 4.870 1.00 0.00 C ATOM 746 OE1 GLN A 49 -7.220 -16.706 4.438 1.00 0.00 O ATOM 747 NE2 GLN A 49 -8.146 -15.401 6.022 1.00 0.00 N ATOM 0 H GLN A 49 -5.522 -12.799 2.993 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.407 -15.538 2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.827 -13.723 2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.798 -15.458 2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.168 -13.991 4.381 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.857 -13.525 4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.361 -14.451 6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.416 -16.195 6.602 1.00 0.00 H new ATOM 756 N ASN A 50 -6.502 -13.499 -0.073 1.00 0.00 N ATOM 757 CA ASN A 50 -6.646 -13.348 -1.510 1.00 0.00 C ATOM 758 C ASN A 50 -5.315 -12.883 -2.106 1.00 0.00 C ATOM 759 O ASN A 50 -4.327 -12.739 -1.389 1.00 0.00 O ATOM 760 CB ASN A 50 -7.708 -12.301 -1.850 1.00 0.00 C ATOM 761 CG ASN A 50 -8.648 -12.068 -0.666 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.907 -12.951 0.136 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.144 -10.836 -0.602 1.00 0.00 N ATOM 0 H ASN A 50 -6.857 -12.716 0.476 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.945 -14.312 -1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.224 -11.364 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.283 -12.629 -2.716 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.783 -10.582 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.886 -10.145 -1.306 1.00 0.00 H new ATOM 770 N PRO A 51 -5.334 -12.658 -3.447 1.00 0.00 N ATOM 771 CA PRO A 51 -4.142 -12.212 -4.147 1.00 0.00 C ATOM 772 C PRO A 51 -3.861 -10.734 -3.867 1.00 0.00 C ATOM 773 O PRO A 51 -4.786 -9.931 -3.764 1.00 0.00 O ATOM 774 CB PRO A 51 -4.418 -12.496 -5.615 1.00 0.00 C ATOM 775 CG PRO A 51 -5.925 -12.656 -5.732 1.00 0.00 C ATOM 776 CD PRO A 51 -6.487 -12.818 -4.328 1.00 0.00 C ATOM 0 HA PRO A 51 -3.242 -12.731 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.062 -11.680 -6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.903 -13.399 -5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.364 -11.787 -6.221 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.170 -13.524 -6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.252 -12.070 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.952 -13.795 -4.198 1.00 0.00 H new ATOM 784 N HIS A 52 -2.578 -10.421 -3.751 1.00 0.00 N ATOM 785 CA HIS A 52 -2.163 -9.054 -3.485 1.00 0.00 C ATOM 786 C HIS A 52 -0.969 -8.698 -4.373 1.00 0.00 C ATOM 787 O HIS A 52 -0.148 -9.558 -4.689 1.00 0.00 O ATOM 788 CB HIS A 52 -1.876 -8.854 -1.995 1.00 0.00 C ATOM 789 CG HIS A 52 -1.074 -9.970 -1.369 1.00 0.00 C ATOM 790 ND1 HIS A 52 -1.398 -11.307 -1.530 1.00 0.00 N ATOM 791 CD2 HIS A 52 0.040 -9.936 -0.584 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.512 -12.034 -0.865 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.378 -11.182 -0.279 1.00 0.00 N ATOM 0 H HIS A 52 -1.813 -11.090 -3.836 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.973 -8.369 -3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.338 -7.915 -1.862 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.822 -8.758 -1.463 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.184 -11.670 -2.069 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.560 -9.045 -0.264 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.497 -13.112 -0.799 1.00 0.00 H new ATOM 802 N HIS A 53 -0.911 -7.429 -4.750 1.00 0.00 N ATOM 803 CA HIS A 53 0.170 -6.949 -5.595 1.00 0.00 C ATOM 804 C HIS A 53 0.609 -5.560 -5.126 1.00 0.00 C ATOM 805 O HIS A 53 1.802 -5.259 -5.097 1.00 0.00 O ATOM 806 CB HIS A 53 -0.240 -6.974 -7.068 1.00 0.00 C ATOM 807 CG HIS A 53 0.924 -6.946 -8.031 1.00 0.00 C ATOM 808 ND1 HIS A 53 1.167 -5.881 -8.880 1.00 0.00 N ATOM 809 CD2 HIS A 53 1.907 -7.860 -8.267 1.00 0.00 C ATOM 810 CE1 HIS A 53 2.250 -6.153 -9.592 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.707 -7.381 -9.211 1.00 0.00 N ATOM 0 H HIS A 53 -1.594 -6.719 -4.486 1.00 0.00 H new ATOM 0 HA HIS A 53 1.029 -7.614 -5.506 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.831 -7.871 -7.255 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.885 -6.119 -7.269 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.016 -8.813 -7.770 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.693 -5.515 -10.342 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.528 -7.853 -9.589 1.00 0.00 H new ATOM 820 N LEU A 54 -0.377 -4.752 -4.769 1.00 0.00 N ATOM 821 CA LEU A 54 -0.108 -3.402 -4.303 1.00 0.00 C ATOM 822 C LEU A 54 -1.041 -3.074 -3.136 1.00 0.00 C ATOM 823 O LEU A 54 -2.251 -2.948 -3.320 1.00 0.00 O ATOM 824 CB LEU A 54 -0.198 -2.407 -5.461 1.00 0.00 C ATOM 825 CG LEU A 54 -0.167 -0.926 -5.077 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.271 -0.439 -4.889 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.930 -0.079 -6.097 1.00 0.00 C ATOM 0 H LEU A 54 -1.365 -5.006 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 54 0.912 -3.326 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.627 -2.602 -6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.120 -2.601 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.674 -0.811 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.265 0.616 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.750 -1.015 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.824 -0.571 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.892 0.969 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.474 -0.195 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.969 -0.407 -6.138 1.00 0.00 H new ATOM 839 N VAL A 55 -0.444 -2.945 -1.960 1.00 0.00 N ATOM 840 CA VAL A 55 -1.206 -2.635 -0.764 1.00 0.00 C ATOM 841 C VAL A 55 -1.148 -1.128 -0.502 1.00 0.00 C ATOM 842 O VAL A 55 -0.084 -0.518 -0.604 1.00 0.00 O ATOM 843 CB VAL A 55 -0.694 -3.465 0.415 1.00 0.00 C ATOM 844 CG1 VAL A 55 -0.993 -2.772 1.746 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.284 -4.877 0.387 1.00 0.00 C ATOM 0 H VAL A 55 0.560 -3.050 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.254 -2.902 -0.902 1.00 0.00 H new ATOM 0 HB VAL A 55 0.388 -3.551 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.618 -3.384 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.504 -1.798 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.070 -2.640 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.905 -5.447 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.371 -4.818 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.997 -5.373 -0.540 1.00 0.00 H new ATOM 855 N ILE A 56 -2.303 -0.571 -0.172 1.00 0.00 N ATOM 856 CA ILE A 56 -2.396 0.853 0.104 1.00 0.00 C ATOM 857 C ILE A 56 -3.288 1.074 1.327 1.00 0.00 C ATOM 858 O ILE A 56 -4.456 0.692 1.325 1.00 0.00 O ATOM 859 CB ILE A 56 -2.862 1.611 -1.141 1.00 0.00 C ATOM 860 CG1 ILE A 56 -3.937 0.824 -1.892 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.676 1.965 -2.042 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.336 -0.396 -2.592 1.00 0.00 C ATOM 0 H ILE A 56 -3.183 -1.080 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.414 1.258 0.347 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.315 2.549 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.711 0.503 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.418 1.469 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.034 2.503 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.976 2.593 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.173 1.051 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.122 -0.938 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.580 -0.070 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.877 -1.051 -1.851 1.00 0.00 H new ATOM 874 N SER A 57 -2.702 1.690 2.343 1.00 0.00 N ATOM 875 CA SER A 57 -3.429 1.967 3.571 1.00 0.00 C ATOM 876 C SER A 57 -3.006 3.325 4.134 1.00 0.00 C ATOM 877 O SER A 57 -2.227 4.045 3.511 1.00 0.00 O ATOM 878 CB SER A 57 -3.196 0.866 4.608 1.00 0.00 C ATOM 879 OG SER A 57 -3.382 1.339 5.939 1.00 0.00 O ATOM 0 H SER A 57 -1.732 2.005 2.341 1.00 0.00 H new ATOM 0 HA SER A 57 -4.494 1.993 3.341 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.880 0.039 4.418 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.184 0.475 4.500 1.00 0.00 H new ATOM 0 HG SER A 57 -3.226 0.607 6.571 1.00 0.00 H new ATOM 885 N ASP A 58 -3.538 3.634 5.308 1.00 0.00 N ATOM 886 CA ASP A 58 -3.224 4.893 5.963 1.00 0.00 C ATOM 887 C ASP A 58 -1.953 4.727 6.797 1.00 0.00 C ATOM 888 O ASP A 58 -1.495 3.608 7.021 1.00 0.00 O ATOM 889 CB ASP A 58 -4.354 5.320 6.903 1.00 0.00 C ATOM 890 CG ASP A 58 -4.773 4.266 7.931 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.265 3.130 7.818 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.592 4.622 8.806 1.00 0.00 O ATOM 0 H ASP A 58 -4.184 3.035 5.822 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.090 5.651 5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.044 6.220 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.224 5.587 6.303 1.00 0.00 H new ATOM 897 N PHE A 59 -1.418 5.858 7.234 1.00 0.00 N ATOM 898 CA PHE A 59 -0.209 5.852 8.038 1.00 0.00 C ATOM 899 C PHE A 59 -0.529 5.580 9.509 1.00 0.00 C ATOM 900 O PHE A 59 0.365 5.272 10.296 1.00 0.00 O ATOM 901 CB PHE A 59 0.418 7.242 7.914 1.00 0.00 C ATOM 902 CG PHE A 59 1.747 7.261 7.156 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.665 6.280 7.369 1.00 0.00 C ATOM 904 CD2 PHE A 59 2.011 8.258 6.270 1.00 0.00 C ATOM 905 CE1 PHE A 59 3.898 6.297 6.666 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.245 8.275 5.566 1.00 0.00 C ATOM 907 CZ PHE A 59 4.162 7.294 5.779 1.00 0.00 C ATOM 0 H PHE A 59 -1.800 6.785 7.046 1.00 0.00 H new ATOM 0 HA PHE A 59 0.464 5.069 7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.286 7.903 7.408 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.576 7.648 8.913 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.456 5.488 8.073 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.282 9.037 6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.627 5.518 6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.455 9.067 4.862 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.100 7.306 5.244 1.00 0.00 H new ATOM 917 N ASN A 60 -1.807 5.704 9.836 1.00 0.00 N ATOM 918 CA ASN A 60 -2.257 5.475 11.199 1.00 0.00 C ATOM 919 C ASN A 60 -1.580 4.218 11.750 1.00 0.00 C ATOM 920 O ASN A 60 -0.872 3.521 11.025 1.00 0.00 O ATOM 921 CB ASN A 60 -3.771 5.258 11.250 1.00 0.00 C ATOM 922 CG ASN A 60 -4.517 6.594 11.237 1.00 0.00 C ATOM 923 OD1 ASN A 60 -4.191 7.523 11.957 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.532 6.637 10.380 1.00 0.00 N ATOM 0 H ASN A 60 -2.545 5.960 9.181 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.998 6.352 11.792 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.084 4.654 10.398 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.032 4.700 12.149 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.093 7.485 10.295 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.750 5.822 9.807 1.00 0.00 H new ATOM 931 N MET A 61 -1.822 3.967 13.028 1.00 0.00 N ATOM 932 CA MET A 61 -1.245 2.807 13.686 1.00 0.00 C ATOM 933 C MET A 61 -2.314 1.749 13.968 1.00 0.00 C ATOM 934 O MET A 61 -2.643 1.487 15.124 1.00 0.00 O ATOM 935 CB MET A 61 -0.591 3.237 15.000 1.00 0.00 C ATOM 936 CG MET A 61 -1.649 3.616 16.040 1.00 0.00 C ATOM 937 SD MET A 61 -1.091 5.020 16.992 1.00 0.00 S ATOM 938 CE MET A 61 -1.113 4.310 18.630 1.00 0.00 C ATOM 0 H MET A 61 -2.410 4.547 13.626 1.00 0.00 H new ATOM 0 HA MET A 61 -0.496 2.372 13.024 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.028 2.427 15.385 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.069 4.086 14.821 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.590 3.853 15.544 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.841 2.771 16.701 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.789 5.057 19.355 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.125 3.984 18.872 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.438 3.455 18.665 1.00 0.00 H new ATOM 948 N PRO A 62 -2.840 1.154 12.864 1.00 0.00 N ATOM 949 CA PRO A 62 -3.864 0.130 12.982 1.00 0.00 C ATOM 950 C PRO A 62 -3.264 -1.195 13.454 1.00 0.00 C ATOM 951 O PRO A 62 -2.178 -1.218 14.031 1.00 0.00 O ATOM 952 CB PRO A 62 -4.492 0.041 11.601 1.00 0.00 C ATOM 953 CG PRO A 62 -3.494 0.678 10.648 1.00 0.00 C ATOM 954 CD PRO A 62 -2.475 1.439 11.480 1.00 0.00 C ATOM 0 HA PRO A 62 -4.617 0.372 13.732 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.687 -0.996 11.327 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.448 0.564 11.572 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.001 -0.085 10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.002 1.351 9.957 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.459 1.108 11.262 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.513 2.508 11.272 1.00 0.00 H new ATOM 962 N LYS A 63 -3.996 -2.268 13.188 1.00 0.00 N ATOM 963 CA LYS A 63 -3.549 -3.594 13.578 1.00 0.00 C ATOM 964 C LYS A 63 -2.227 -3.909 12.874 1.00 0.00 C ATOM 965 O LYS A 63 -1.385 -4.621 13.418 1.00 0.00 O ATOM 966 CB LYS A 63 -4.647 -4.627 13.317 1.00 0.00 C ATOM 967 CG LYS A 63 -5.600 -4.728 14.510 1.00 0.00 C ATOM 968 CD LYS A 63 -5.303 -5.974 15.346 1.00 0.00 C ATOM 969 CE LYS A 63 -3.820 -6.342 15.274 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.385 -6.984 16.534 1.00 0.00 N ATOM 0 H LYS A 63 -4.895 -2.245 12.707 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.356 -3.632 14.650 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.206 -4.351 12.423 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.197 -5.601 13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.505 -3.838 15.132 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.630 -4.761 14.155 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.587 -5.797 16.383 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.906 -6.808 14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.647 -7.017 14.436 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.225 -5.447 15.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.376 -7.228 16.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.532 -6.327 17.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.940 -7.849 16.693 1.00 0.00 H new ATOM 984 N MET A 64 -2.089 -3.365 11.674 1.00 0.00 N ATOM 985 CA MET A 64 -0.885 -3.579 10.889 1.00 0.00 C ATOM 986 C MET A 64 -0.617 -2.394 9.959 1.00 0.00 C ATOM 987 O MET A 64 -1.465 -2.041 9.140 1.00 0.00 O ATOM 988 CB MET A 64 -1.036 -4.857 10.060 1.00 0.00 C ATOM 989 CG MET A 64 -1.573 -6.006 10.915 1.00 0.00 C ATOM 990 SD MET A 64 -1.426 -7.547 10.028 1.00 0.00 S ATOM 991 CE MET A 64 0.016 -8.230 10.830 1.00 0.00 C ATOM 0 H MET A 64 -2.791 -2.776 11.226 1.00 0.00 H new ATOM 0 HA MET A 64 -0.041 -3.676 11.572 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.712 -4.675 9.224 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.071 -5.135 9.635 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.020 -6.062 11.852 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.616 -5.823 11.171 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.250 -9.201 10.393 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.862 -7.557 10.692 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.182 -8.349 11.895 1.00 0.00 H new ATOM 1001 N ASP A 65 0.563 -1.814 10.117 1.00 0.00 N ATOM 1002 CA ASP A 65 0.952 -0.676 9.301 1.00 0.00 C ATOM 1003 C ASP A 65 2.286 -0.978 8.615 1.00 0.00 C ATOM 1004 O ASP A 65 2.928 -1.985 8.913 1.00 0.00 O ATOM 1005 CB ASP A 65 1.134 0.579 10.157 1.00 0.00 C ATOM 1006 CG ASP A 65 1.062 1.901 9.391 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.014 2.161 8.809 1.00 0.00 O ATOM 1008 OD2 ASP A 65 2.083 2.621 9.403 1.00 0.00 O ATOM 0 H ASP A 65 1.263 -2.110 10.798 1.00 0.00 H new ATOM 0 HA ASP A 65 0.164 -0.502 8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.369 0.585 10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.099 0.520 10.660 1.00 0.00 H new ATOM 1013 N GLY A 66 2.664 -0.088 7.709 1.00 0.00 N ATOM 1014 CA GLY A 66 3.909 -0.247 6.978 1.00 0.00 C ATOM 1015 C GLY A 66 4.925 -1.050 7.794 1.00 0.00 C ATOM 1016 O GLY A 66 5.676 -1.851 7.241 1.00 0.00 O ATOM 0 H GLY A 66 2.130 0.746 7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.717 -0.752 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.322 0.733 6.739 1.00 0.00 H new ATOM 1020 N LEU A 67 4.916 -0.806 9.096 1.00 0.00 N ATOM 1021 CA LEU A 67 5.827 -1.496 9.993 1.00 0.00 C ATOM 1022 C LEU A 67 5.371 -2.947 10.158 1.00 0.00 C ATOM 1023 O LEU A 67 6.080 -3.872 9.766 1.00 0.00 O ATOM 1024 CB LEU A 67 5.953 -0.737 11.316 1.00 0.00 C ATOM 1025 CG LEU A 67 6.439 0.711 11.215 1.00 0.00 C ATOM 1026 CD1 LEU A 67 7.843 0.778 10.613 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.440 1.571 10.436 1.00 0.00 C ATOM 0 H LEU A 67 4.292 -0.140 9.551 1.00 0.00 H new ATOM 0 HA LEU A 67 6.831 -1.523 9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.980 -0.739 11.807 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.638 -1.285 11.963 1.00 0.00 H new ATOM 0 HG LEU A 67 6.501 1.121 12.223 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.164 1.818 10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.536 0.220 11.243 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.831 0.343 9.613 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.809 2.595 10.379 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.323 1.171 9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.476 1.560 10.945 1.00 0.00 H new ATOM 1039 N GLY A 68 4.190 -3.101 10.740 1.00 0.00 N ATOM 1040 CA GLY A 68 3.633 -4.424 10.962 1.00 0.00 C ATOM 1041 C GLY A 68 3.432 -5.164 9.639 1.00 0.00 C ATOM 1042 O GLY A 68 3.684 -6.365 9.549 1.00 0.00 O ATOM 0 H GLY A 68 3.604 -2.331 11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.298 -4.999 11.607 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.679 -4.338 11.483 1.00 0.00 H new ATOM 1046 N LEU A 69 2.980 -4.415 8.642 1.00 0.00 N ATOM 1047 CA LEU A 69 2.743 -4.985 7.327 1.00 0.00 C ATOM 1048 C LEU A 69 4.030 -5.641 6.820 1.00 0.00 C ATOM 1049 O LEU A 69 4.006 -6.772 6.338 1.00 0.00 O ATOM 1050 CB LEU A 69 2.178 -3.927 6.378 1.00 0.00 C ATOM 1051 CG LEU A 69 0.741 -4.152 5.900 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.233 -4.162 7.079 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.349 -3.123 4.839 1.00 0.00 C ATOM 0 H LEU A 69 2.772 -3.419 8.719 1.00 0.00 H new ATOM 0 HA LEU A 69 1.986 -5.767 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.227 -2.958 6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.826 -3.869 5.503 1.00 0.00 H new ATOM 0 HG LEU A 69 0.686 -5.134 5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.247 -4.323 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.036 -4.964 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.184 -3.206 7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.676 -3.305 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.424 -2.120 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.019 -3.209 3.984 1.00 0.00 H new ATOM 1065 N LEU A 70 5.121 -4.901 6.945 1.00 0.00 N ATOM 1066 CA LEU A 70 6.416 -5.396 6.505 1.00 0.00 C ATOM 1067 C LEU A 70 6.720 -6.716 7.216 1.00 0.00 C ATOM 1068 O LEU A 70 6.720 -7.776 6.591 1.00 0.00 O ATOM 1069 CB LEU A 70 7.493 -4.329 6.704 1.00 0.00 C ATOM 1070 CG LEU A 70 8.887 -4.676 6.175 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.916 -3.636 6.620 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.290 -6.094 6.585 1.00 0.00 C ATOM 0 H LEU A 70 5.136 -3.963 7.344 1.00 0.00 H new ATOM 0 HA LEU A 70 6.401 -5.605 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.161 -3.411 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.573 -4.116 7.770 1.00 0.00 H new ATOM 0 HG LEU A 70 8.856 -4.652 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.898 -3.906 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.631 -2.656 6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.953 -3.604 7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.284 -6.316 6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.300 -6.169 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.574 -6.808 6.178 1.00 0.00 H new ATOM 1084 N GLN A 71 6.972 -6.610 8.513 1.00 0.00 N ATOM 1085 CA GLN A 71 7.276 -7.783 9.315 1.00 0.00 C ATOM 1086 C GLN A 71 6.322 -8.926 8.967 1.00 0.00 C ATOM 1087 O GLN A 71 6.699 -10.095 9.030 1.00 0.00 O ATOM 1088 CB GLN A 71 7.219 -7.455 10.808 1.00 0.00 C ATOM 1089 CG GLN A 71 8.061 -6.218 11.130 1.00 0.00 C ATOM 1090 CD GLN A 71 8.547 -6.249 12.581 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.150 -7.205 13.041 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.252 -5.153 13.274 1.00 0.00 N ATOM 0 H GLN A 71 6.972 -5.730 9.028 1.00 0.00 H new ATOM 0 HA GLN A 71 8.292 -8.103 9.086 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.185 -7.283 11.107 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.581 -8.306 11.385 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.917 -6.171 10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.471 -5.317 10.959 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.745 -4.389 12.828 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.533 -5.077 14.251 1.00 0.00 H new ATOM 1101 N ALA A 72 5.103 -8.549 8.608 1.00 0.00 N ATOM 1102 CA ALA A 72 4.092 -9.528 8.251 1.00 0.00 C ATOM 1103 C ALA A 72 4.526 -10.265 6.982 1.00 0.00 C ATOM 1104 O ALA A 72 4.511 -11.493 6.937 1.00 0.00 O ATOM 1105 CB ALA A 72 2.740 -8.830 8.087 1.00 0.00 C ATOM 0 H ALA A 72 4.794 -7.578 8.557 1.00 0.00 H new ATOM 0 HA ALA A 72 3.982 -10.271 9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.981 -9.565 7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.463 -8.348 9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.811 -8.079 7.300 1.00 0.00 H new ATOM 1111 N VAL A 73 4.902 -9.481 5.982 1.00 0.00 N ATOM 1112 CA VAL A 73 5.341 -10.043 4.716 1.00 0.00 C ATOM 1113 C VAL A 73 6.548 -10.951 4.956 1.00 0.00 C ATOM 1114 O VAL A 73 6.564 -12.098 4.512 1.00 0.00 O ATOM 1115 CB VAL A 73 5.626 -8.921 3.716 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.740 -7.703 3.990 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.107 -8.535 3.732 1.00 0.00 C ATOM 0 H VAL A 73 4.912 -8.462 6.023 1.00 0.00 H new ATOM 0 HA VAL A 73 4.554 -10.658 4.279 1.00 0.00 H new ATOM 0 HB VAL A 73 5.387 -9.292 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.963 -6.920 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.692 -7.989 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.934 -7.331 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.282 -7.735 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.383 -8.192 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.712 -9.402 3.466 1.00 0.00 H new ATOM 1127 N ARG A 74 7.530 -10.403 5.657 1.00 0.00 N ATOM 1128 CA ARG A 74 8.739 -11.150 5.961 1.00 0.00 C ATOM 1129 C ARG A 74 8.399 -12.613 6.255 1.00 0.00 C ATOM 1130 O ARG A 74 9.206 -13.505 6.000 1.00 0.00 O ATOM 1131 CB ARG A 74 9.468 -10.550 7.165 1.00 0.00 C ATOM 1132 CG ARG A 74 9.813 -9.080 6.920 1.00 0.00 C ATOM 1133 CD ARG A 74 10.140 -8.831 5.446 1.00 0.00 C ATOM 1134 NE ARG A 74 11.263 -9.698 5.023 1.00 0.00 N ATOM 1135 CZ ARG A 74 11.822 -9.662 3.806 1.00 0.00 C ATOM 1136 NH1 ARG A 74 11.366 -8.802 2.885 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.837 -10.485 3.510 1.00 0.00 N ATOM 0 H ARG A 74 7.513 -9.451 6.023 1.00 0.00 H new ATOM 0 HA ARG A 74 9.392 -11.094 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.843 -10.637 8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.380 -11.114 7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.975 -8.451 7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.664 -8.795 7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.263 -9.032 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.401 -7.784 5.295 1.00 0.00 H new ATOM 0 HE ARG A 74 11.634 -10.364 5.700 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.594 -8.175 3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.791 -8.774 1.958 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.184 -11.139 4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.262 -10.457 2.583 1.00 0.00 H new ATOM 1151 N ALA A 75 7.204 -12.814 6.790 1.00 0.00 N ATOM 1152 CA ALA A 75 6.747 -14.152 7.123 1.00 0.00 C ATOM 1153 C ALA A 75 6.136 -14.801 5.879 1.00 0.00 C ATOM 1154 O ALA A 75 6.482 -15.929 5.530 1.00 0.00 O ATOM 1155 CB ALA A 75 5.759 -14.080 8.289 1.00 0.00 C ATOM 0 H ALA A 75 6.538 -12.071 7.001 1.00 0.00 H new ATOM 0 HA ALA A 75 7.583 -14.774 7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.417 -15.084 8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.251 -13.639 9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.905 -13.466 8.005 1.00 0.00 H new ATOM 1161 N ASN A 76 5.238 -14.062 5.245 1.00 0.00 N ATOM 1162 CA ASN A 76 4.576 -14.551 4.048 1.00 0.00 C ATOM 1163 C ASN A 76 5.243 -13.938 2.815 1.00 0.00 C ATOM 1164 O ASN A 76 5.317 -12.718 2.686 1.00 0.00 O ATOM 1165 CB ASN A 76 3.099 -14.152 4.034 1.00 0.00 C ATOM 1166 CG ASN A 76 2.196 -15.387 4.082 1.00 0.00 C ATOM 1167 OD1 ASN A 76 2.624 -16.508 3.859 1.00 0.00 O ATOM 1168 ND2 ASN A 76 0.929 -15.120 4.383 1.00 0.00 N ATOM 0 H ASN A 76 4.953 -13.127 5.538 1.00 0.00 H new ATOM 0 HA ASN A 76 4.656 -15.638 4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.885 -13.507 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.883 -13.574 3.135 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.248 -15.877 4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.638 -14.158 4.558 1.00 0.00 H new ATOM 1175 N PRO A 77 5.724 -14.839 1.915 1.00 0.00 N ATOM 1176 CA PRO A 77 6.382 -14.399 0.698 1.00 0.00 C ATOM 1177 C PRO A 77 5.365 -13.877 -0.319 1.00 0.00 C ATOM 1178 O PRO A 77 5.730 -13.192 -1.273 1.00 0.00 O ATOM 1179 CB PRO A 77 7.145 -15.618 0.202 1.00 0.00 C ATOM 1180 CG PRO A 77 6.517 -16.814 0.897 1.00 0.00 C ATOM 1181 CD PRO A 77 5.655 -16.292 2.034 1.00 0.00 C ATOM 0 HA PRO A 77 7.059 -13.561 0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.069 -15.712 -0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.205 -15.539 0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.915 -17.391 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.289 -17.482 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.628 -16.648 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.029 -16.628 3.001 1.00 0.00 H new ATOM 1189 N ALA A 78 4.107 -14.220 -0.078 1.00 0.00 N ATOM 1190 CA ALA A 78 3.035 -13.794 -0.961 1.00 0.00 C ATOM 1191 C ALA A 78 2.960 -12.266 -0.965 1.00 0.00 C ATOM 1192 O ALA A 78 2.876 -11.649 -2.027 1.00 0.00 O ATOM 1193 CB ALA A 78 1.720 -14.440 -0.516 1.00 0.00 C ATOM 0 H ALA A 78 3.807 -14.787 0.715 1.00 0.00 H new ATOM 0 HA ALA A 78 3.229 -14.118 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.915 -14.121 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.815 -15.525 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.492 -14.135 0.505 1.00 0.00 H new ATOM 1199 N THR A 79 2.994 -11.701 0.232 1.00 0.00 N ATOM 1200 CA THR A 79 2.932 -10.256 0.379 1.00 0.00 C ATOM 1201 C THR A 79 4.338 -9.654 0.331 1.00 0.00 C ATOM 1202 O THR A 79 4.503 -8.479 0.006 1.00 0.00 O ATOM 1203 CB THR A 79 2.183 -9.944 1.675 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.709 -8.686 2.088 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.558 -10.896 2.813 1.00 0.00 C ATOM 0 H THR A 79 3.064 -12.217 1.109 1.00 0.00 H new ATOM 0 HA THR A 79 2.387 -9.798 -0.447 1.00 0.00 H new ATOM 0 HB THR A 79 1.110 -9.999 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.085 -8.259 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.998 -10.630 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.318 -11.920 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.626 -10.817 3.016 1.00 0.00 H new ATOM 1213 N LYS A 80 5.315 -10.487 0.658 1.00 0.00 N ATOM 1214 CA LYS A 80 6.701 -10.051 0.655 1.00 0.00 C ATOM 1215 C LYS A 80 7.084 -9.586 -0.751 1.00 0.00 C ATOM 1216 O LYS A 80 8.055 -8.853 -0.923 1.00 0.00 O ATOM 1217 CB LYS A 80 7.609 -11.153 1.206 1.00 0.00 C ATOM 1218 CG LYS A 80 8.352 -11.868 0.075 1.00 0.00 C ATOM 1219 CD LYS A 80 9.503 -11.011 -0.455 1.00 0.00 C ATOM 1220 CE LYS A 80 10.802 -11.815 -0.519 1.00 0.00 C ATOM 1221 NZ LYS A 80 11.543 -11.506 -1.761 1.00 0.00 N ATOM 0 H LYS A 80 5.174 -11.461 0.927 1.00 0.00 H new ATOM 0 HA LYS A 80 6.832 -9.197 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.328 -10.722 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.013 -11.873 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.740 -12.821 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.658 -12.092 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.254 -10.636 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.640 -10.142 0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.422 -11.585 0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.579 -12.881 -0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.422 -12.061 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.956 -11.748 -2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.773 -10.492 -1.785 1.00 0.00 H new ATOM 1235 N LYS A 81 6.298 -10.031 -1.721 1.00 0.00 N ATOM 1236 CA LYS A 81 6.542 -9.670 -3.107 1.00 0.00 C ATOM 1237 C LYS A 81 5.621 -8.512 -3.496 1.00 0.00 C ATOM 1238 O LYS A 81 5.739 -7.960 -4.589 1.00 0.00 O ATOM 1239 CB LYS A 81 6.406 -10.895 -4.013 1.00 0.00 C ATOM 1240 CG LYS A 81 4.955 -11.377 -4.070 1.00 0.00 C ATOM 1241 CD LYS A 81 4.721 -12.270 -5.289 1.00 0.00 C ATOM 1242 CE LYS A 81 3.497 -13.165 -5.086 1.00 0.00 C ATOM 1243 NZ LYS A 81 2.754 -13.324 -6.356 1.00 0.00 N ATOM 0 H LYS A 81 5.492 -10.638 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 81 7.567 -9.321 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.751 -10.649 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.045 -11.697 -3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.715 -11.927 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.284 -10.519 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.581 -11.652 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.602 -12.887 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.811 -14.141 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.844 -12.732 -4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.926 -13.934 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.438 -12.392 -6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.374 -13.758 -7.069 1.00 0.00 H new ATOM 1257 N ALA A 82 4.723 -8.177 -2.581 1.00 0.00 N ATOM 1258 CA ALA A 82 3.783 -7.095 -2.815 1.00 0.00 C ATOM 1259 C ALA A 82 4.295 -5.823 -2.135 1.00 0.00 C ATOM 1260 O ALA A 82 5.057 -5.894 -1.172 1.00 0.00 O ATOM 1261 CB ALA A 82 2.397 -7.506 -2.313 1.00 0.00 C ATOM 0 H ALA A 82 4.627 -8.637 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 82 3.696 -6.886 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.691 -6.694 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.066 -8.397 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.446 -7.720 -1.245 1.00 0.00 H new ATOM 1267 N ALA A 83 3.856 -4.691 -2.664 1.00 0.00 N ATOM 1268 CA ALA A 83 4.262 -3.405 -2.121 1.00 0.00 C ATOM 1269 C ALA A 83 3.169 -2.885 -1.186 1.00 0.00 C ATOM 1270 O ALA A 83 2.086 -3.464 -1.107 1.00 0.00 O ATOM 1271 CB ALA A 83 4.557 -2.436 -3.268 1.00 0.00 C ATOM 0 H ALA A 83 3.224 -4.637 -3.462 1.00 0.00 H new ATOM 0 HA ALA A 83 5.177 -3.506 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.861 -1.472 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.359 -2.838 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.661 -2.307 -3.875 1.00 0.00 H new ATOM 1277 N PHE A 84 3.490 -1.798 -0.499 1.00 0.00 N ATOM 1278 CA PHE A 84 2.550 -1.193 0.428 1.00 0.00 C ATOM 1279 C PHE A 84 2.757 0.321 0.510 1.00 0.00 C ATOM 1280 O PHE A 84 3.891 0.793 0.584 1.00 0.00 O ATOM 1281 CB PHE A 84 2.819 -1.808 1.804 1.00 0.00 C ATOM 1282 CG PHE A 84 3.712 -3.050 1.765 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.212 -4.233 1.321 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.005 -2.969 2.176 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.040 -5.386 1.285 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.834 -4.122 2.142 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.334 -5.306 1.696 1.00 0.00 C ATOM 0 H PHE A 84 4.389 -1.321 -0.566 1.00 0.00 H new ATOM 0 HA PHE A 84 1.529 -1.375 0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.286 -1.057 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.867 -2.071 2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.184 -4.296 0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.402 -2.028 2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.642 -6.326 0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.861 -4.059 2.470 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.965 -6.182 1.668 1.00 0.00 H new ATOM 1297 N ILE A 85 1.644 1.040 0.496 1.00 0.00 N ATOM 1298 CA ILE A 85 1.690 2.491 0.568 1.00 0.00 C ATOM 1299 C ILE A 85 1.115 2.949 1.910 1.00 0.00 C ATOM 1300 O ILE A 85 0.050 2.491 2.322 1.00 0.00 O ATOM 1301 CB ILE A 85 0.990 3.110 -0.644 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.512 2.501 -1.948 1.00 0.00 C ATOM 1303 CG2 ILE A 85 1.117 4.634 -0.632 1.00 0.00 C ATOM 1304 CD1 ILE A 85 1.086 3.342 -3.153 1.00 0.00 C ATOM 0 H ILE A 85 0.705 0.645 0.436 1.00 0.00 H new ATOM 0 HA ILE A 85 2.721 2.842 0.526 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.073 2.876 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.599 2.434 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.133 1.485 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.611 5.048 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.660 5.030 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.171 4.912 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.469 2.888 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.002 3.387 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.487 4.351 -3.053 1.00 0.00 H new ATOM 1316 N ILE A 86 1.846 3.847 2.554 1.00 0.00 N ATOM 1317 CA ILE A 86 1.422 4.372 3.842 1.00 0.00 C ATOM 1318 C ILE A 86 1.428 5.901 3.791 1.00 0.00 C ATOM 1319 O ILE A 86 2.490 6.519 3.746 1.00 0.00 O ATOM 1320 CB ILE A 86 2.280 3.790 4.966 1.00 0.00 C ATOM 1321 CG1 ILE A 86 3.061 2.566 4.483 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.430 3.478 6.200 1.00 0.00 C ATOM 1323 CD1 ILE A 86 4.436 2.494 5.151 1.00 0.00 C ATOM 0 H ILE A 86 2.728 4.224 2.209 1.00 0.00 H new ATOM 0 HA ILE A 86 0.400 4.064 4.062 1.00 0.00 H new ATOM 0 HB ILE A 86 3.012 4.542 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.497 1.660 4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.181 2.610 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.065 3.065 6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.959 4.393 6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.660 2.753 5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.970 1.615 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.006 3.390 4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.312 2.425 6.232 1.00 0.00 H new ATOM 1335 N LEU A 87 0.230 6.466 3.799 1.00 0.00 N ATOM 1336 CA LEU A 87 0.084 7.911 3.754 1.00 0.00 C ATOM 1337 C LEU A 87 -0.786 8.368 4.926 1.00 0.00 C ATOM 1338 O LEU A 87 -1.424 7.550 5.587 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.441 8.355 2.387 1.00 0.00 C ATOM 1340 CG LEU A 87 -1.963 8.423 2.244 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.607 7.076 2.581 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.543 9.562 3.088 1.00 0.00 C ATOM 0 H LEU A 87 -0.649 5.949 3.836 1.00 0.00 H new ATOM 0 HA LEU A 87 1.054 8.396 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.030 9.340 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.055 7.671 1.632 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.198 8.641 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.689 7.152 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.227 6.311 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.365 6.804 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.626 9.588 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.298 9.399 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.119 10.511 2.760 1.00 0.00 H new ATOM 1354 N THR A 88 -0.785 9.675 5.149 1.00 0.00 N ATOM 1355 CA THR A 88 -1.567 10.251 6.229 1.00 0.00 C ATOM 1356 C THR A 88 -2.245 11.542 5.768 1.00 0.00 C ATOM 1357 O THR A 88 -2.012 12.005 4.652 1.00 0.00 O ATOM 1358 CB THR A 88 -0.640 10.447 7.431 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.337 11.373 8.259 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.652 11.178 7.061 1.00 0.00 C ATOM 0 H THR A 88 -0.255 10.351 4.599 1.00 0.00 H new ATOM 0 HA THR A 88 -2.377 9.586 6.529 1.00 0.00 H new ATOM 0 HB THR A 88 -0.397 9.477 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.808 11.556 9.063 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.273 11.291 7.949 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.193 10.602 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.411 12.162 6.659 1.00 0.00 H new ATOM 1368 N ALA A 89 -3.070 12.087 6.649 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.785 13.315 6.346 1.00 0.00 C ATOM 1370 C ALA A 89 -2.777 14.416 6.010 1.00 0.00 C ATOM 1371 O ALA A 89 -3.142 15.445 5.444 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.684 13.687 7.526 1.00 0.00 C ATOM 0 H ALA A 89 -3.260 11.701 7.574 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.429 13.181 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.220 14.608 7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.400 12.885 7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.073 13.833 8.417 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.529 14.162 6.374 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.465 15.119 6.119 1.00 0.00 C ATOM 1380 C GLN A 90 0.594 14.504 5.203 1.00 0.00 C ATOM 1381 O GLN A 90 0.533 14.661 3.985 1.00 0.00 O ATOM 1382 CB GLN A 90 0.159 15.607 7.428 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.749 16.623 8.124 1.00 0.00 C ATOM 1384 CD GLN A 90 0.016 17.905 8.458 1.00 0.00 C ATOM 1385 OE1 GLN A 90 0.832 17.954 9.362 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -0.292 18.937 7.677 1.00 0.00 N ATOM 0 H GLN A 90 -1.230 13.307 6.844 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.895 15.984 5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.335 14.759 8.089 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.129 16.060 7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.597 16.859 7.481 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.153 16.188 9.038 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.985 18.828 6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.165 19.838 7.818 1.00 0.00 H new ATOM 1395 N GLY A 91 1.541 13.816 5.824 1.00 0.00 N ATOM 1396 CA GLY A 91 2.611 13.176 5.078 1.00 0.00 C ATOM 1397 C GLY A 91 3.775 12.805 6.000 1.00 0.00 C ATOM 1398 O GLY A 91 4.183 13.603 6.843 1.00 0.00 O ATOM 0 H GLY A 91 1.589 13.688 6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.231 12.280 4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.963 13.845 4.293 1.00 0.00 H new ATOM 1402 N ASP A 92 4.277 11.594 5.809 1.00 0.00 N ATOM 1403 CA ASP A 92 5.385 11.108 6.614 1.00 0.00 C ATOM 1404 C ASP A 92 6.341 10.308 5.726 1.00 0.00 C ATOM 1405 O ASP A 92 6.324 9.078 5.739 1.00 0.00 O ATOM 1406 CB ASP A 92 4.893 10.185 7.730 1.00 0.00 C ATOM 1407 CG ASP A 92 3.845 10.797 8.661 1.00 0.00 C ATOM 1408 OD1 ASP A 92 3.907 12.032 8.850 1.00 0.00 O ATOM 1409 OD2 ASP A 92 3.007 10.019 9.163 1.00 0.00 O ATOM 0 H ASP A 92 3.937 10.935 5.109 1.00 0.00 H new ATOM 0 HA ASP A 92 5.885 11.970 7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.475 9.285 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.750 9.873 8.327 1.00 0.00 H new ATOM 1414 N ARG A 93 7.152 11.038 4.975 1.00 0.00 N ATOM 1415 CA ARG A 93 8.113 10.414 4.083 1.00 0.00 C ATOM 1416 C ARG A 93 9.097 9.554 4.880 1.00 0.00 C ATOM 1417 O ARG A 93 9.505 8.487 4.425 1.00 0.00 O ATOM 1418 CB ARG A 93 8.892 11.463 3.289 1.00 0.00 C ATOM 1419 CG ARG A 93 8.239 11.717 1.928 1.00 0.00 C ATOM 1420 CD ARG A 93 8.001 13.211 1.703 1.00 0.00 C ATOM 1421 NE ARG A 93 9.259 13.866 1.280 1.00 0.00 N ATOM 1422 CZ ARG A 93 9.443 15.193 1.253 1.00 0.00 C ATOM 1423 NH1 ARG A 93 8.453 16.015 1.626 1.00 0.00 N ATOM 1424 NH2 ARG A 93 10.618 15.698 0.855 1.00 0.00 N ATOM 0 H ARG A 93 7.163 12.058 4.966 1.00 0.00 H new ATOM 0 HA ARG A 93 7.558 9.787 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.936 12.394 3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.919 11.128 3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.876 11.324 1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.291 11.182 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.233 13.355 0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.632 13.671 2.620 1.00 0.00 H new ATOM 0 HE ARG A 93 10.035 13.270 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.559 15.631 1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.594 17.025 1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.373 15.072 0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.758 16.708 0.834 1.00 0.00 H new ATOM 1438 N ALA A 94 9.448 10.052 6.057 1.00 0.00 N ATOM 1439 CA ALA A 94 10.375 9.343 6.921 1.00 0.00 C ATOM 1440 C ALA A 94 9.747 8.019 7.361 1.00 0.00 C ATOM 1441 O ALA A 94 10.449 7.025 7.543 1.00 0.00 O ATOM 1442 CB ALA A 94 10.750 10.233 8.109 1.00 0.00 C ATOM 0 H ALA A 94 9.107 10.937 6.432 1.00 0.00 H new ATOM 0 HA ALA A 94 11.295 9.109 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.446 9.700 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.220 11.147 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.852 10.486 8.672 1.00 0.00 H new ATOM 1448 N LEU A 95 8.432 8.048 7.518 1.00 0.00 N ATOM 1449 CA LEU A 95 7.701 6.863 7.932 1.00 0.00 C ATOM 1450 C LEU A 95 7.757 5.819 6.816 1.00 0.00 C ATOM 1451 O LEU A 95 8.050 4.650 7.067 1.00 0.00 O ATOM 1452 CB LEU A 95 6.279 7.232 8.358 1.00 0.00 C ATOM 1453 CG LEU A 95 6.116 7.726 9.797 1.00 0.00 C ATOM 1454 CD1 LEU A 95 6.219 6.567 10.790 1.00 0.00 C ATOM 1455 CD2 LEU A 95 7.119 8.839 10.112 1.00 0.00 C ATOM 0 H LEU A 95 7.854 8.874 7.366 1.00 0.00 H new ATOM 0 HA LEU A 95 8.166 6.416 8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.909 8.006 7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.642 6.358 8.221 1.00 0.00 H new ATOM 0 HG LEU A 95 5.118 8.152 9.900 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.100 6.946 11.805 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.436 5.838 10.581 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.194 6.090 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.982 9.172 11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.134 8.461 9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.957 9.677 9.435 1.00 0.00 H new ATOM 1467 N VAL A 96 7.471 6.276 5.606 1.00 0.00 N ATOM 1468 CA VAL A 96 7.485 5.396 4.450 1.00 0.00 C ATOM 1469 C VAL A 96 8.899 4.849 4.249 1.00 0.00 C ATOM 1470 O VAL A 96 9.111 3.637 4.285 1.00 0.00 O ATOM 1471 CB VAL A 96 6.951 6.137 3.222 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.727 5.744 1.964 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.452 5.888 3.042 1.00 0.00 C ATOM 0 H VAL A 96 7.228 7.245 5.401 1.00 0.00 H new ATOM 0 HA VAL A 96 6.826 4.543 4.611 1.00 0.00 H new ATOM 0 HB VAL A 96 7.097 7.205 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.327 6.285 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.780 5.995 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.628 4.672 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.097 6.425 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.274 4.821 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.916 6.240 3.923 1.00 0.00 H new ATOM 1483 N GLN A 97 9.831 5.767 4.041 1.00 0.00 N ATOM 1484 CA GLN A 97 11.219 5.391 3.833 1.00 0.00 C ATOM 1485 C GLN A 97 11.682 4.439 4.939 1.00 0.00 C ATOM 1486 O GLN A 97 12.578 3.624 4.726 1.00 0.00 O ATOM 1487 CB GLN A 97 12.117 6.627 3.763 1.00 0.00 C ATOM 1488 CG GLN A 97 11.789 7.474 2.532 1.00 0.00 C ATOM 1489 CD GLN A 97 13.045 7.742 1.699 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.439 8.873 1.469 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.649 6.640 1.262 1.00 0.00 N ATOM 0 H GLN A 97 9.652 6.771 4.012 1.00 0.00 H new ATOM 0 HA GLN A 97 11.296 4.872 2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.989 7.225 4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.162 6.320 3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.046 6.961 1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.347 8.420 2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.265 5.723 1.491 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.496 6.712 0.698 1.00 0.00 H new ATOM 1500 N LYS A 98 11.049 4.574 6.094 1.00 0.00 N ATOM 1501 CA LYS A 98 11.385 3.737 7.234 1.00 0.00 C ATOM 1502 C LYS A 98 10.945 2.299 6.951 1.00 0.00 C ATOM 1503 O LYS A 98 11.718 1.360 7.137 1.00 0.00 O ATOM 1504 CB LYS A 98 10.794 4.319 8.519 1.00 0.00 C ATOM 1505 CG LYS A 98 11.841 5.134 9.283 1.00 0.00 C ATOM 1506 CD LYS A 98 12.103 4.534 10.665 1.00 0.00 C ATOM 1507 CE LYS A 98 13.600 4.514 10.979 1.00 0.00 C ATOM 1508 NZ LYS A 98 13.822 4.302 12.427 1.00 0.00 N ATOM 0 H LYS A 98 10.305 5.250 6.266 1.00 0.00 H new ATOM 0 HA LYS A 98 12.464 3.717 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.940 4.952 8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.423 3.512 9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.770 5.164 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 98 11.499 6.164 9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.577 5.114 11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.705 3.520 10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.086 3.721 10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.055 5.454 10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.843 4.291 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.374 5.072 12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.405 3.393 12.713 1.00 0.00 H new ATOM 1522 N ALA A 99 9.703 2.170 6.506 1.00 0.00 N ATOM 1523 CA ALA A 99 9.151 0.863 6.196 1.00 0.00 C ATOM 1524 C ALA A 99 10.038 0.171 5.159 1.00 0.00 C ATOM 1525 O ALA A 99 10.453 -0.970 5.354 1.00 0.00 O ATOM 1526 CB ALA A 99 7.707 1.019 5.716 1.00 0.00 C ATOM 0 H ALA A 99 9.064 2.950 6.353 1.00 0.00 H new ATOM 0 HA ALA A 99 9.133 0.234 7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.293 0.038 5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.112 1.488 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.686 1.643 4.822 1.00 0.00 H new ATOM 1532 N ALA A 100 10.303 0.892 4.080 1.00 0.00 N ATOM 1533 CA ALA A 100 11.134 0.362 3.012 1.00 0.00 C ATOM 1534 C ALA A 100 12.475 -0.092 3.591 1.00 0.00 C ATOM 1535 O ALA A 100 12.930 -1.201 3.317 1.00 0.00 O ATOM 1536 CB ALA A 100 11.299 1.422 1.921 1.00 0.00 C ATOM 0 H ALA A 100 9.957 1.839 3.922 1.00 0.00 H new ATOM 0 HA ALA A 100 10.662 -0.508 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.922 1.025 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.320 1.689 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.772 2.308 2.344 1.00 0.00 H new ATOM 1542 N ALA A 101 13.069 0.788 4.383 1.00 0.00 N ATOM 1543 CA ALA A 101 14.348 0.491 5.005 1.00 0.00 C ATOM 1544 C ALA A 101 14.184 -0.690 5.962 1.00 0.00 C ATOM 1545 O ALA A 101 15.006 -1.605 5.973 1.00 0.00 O ATOM 1546 CB ALA A 101 14.877 1.743 5.709 1.00 0.00 C ATOM 0 H ALA A 101 12.688 1.707 4.608 1.00 0.00 H new ATOM 0 HA ALA A 101 15.083 0.205 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.837 1.520 6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.005 2.543 4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.167 2.058 6.473 1.00 0.00 H new ATOM 1552 N LEU A 102 13.115 -0.633 6.744 1.00 0.00 N ATOM 1553 CA LEU A 102 12.832 -1.687 7.703 1.00 0.00 C ATOM 1554 C LEU A 102 13.125 -3.045 7.063 1.00 0.00 C ATOM 1555 O LEU A 102 13.865 -3.852 7.622 1.00 0.00 O ATOM 1556 CB LEU A 102 11.405 -1.555 8.239 1.00 0.00 C ATOM 1557 CG LEU A 102 11.136 -0.348 9.139 1.00 0.00 C ATOM 1558 CD1 LEU A 102 10.428 -0.771 10.427 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.426 0.425 9.422 1.00 0.00 C ATOM 0 H LEU A 102 12.435 0.127 6.733 1.00 0.00 H new ATOM 0 HA LEU A 102 13.484 -1.596 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.722 -1.510 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.162 -2.460 8.796 1.00 0.00 H new ATOM 0 HG LEU A 102 10.465 0.329 8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.249 0.106 11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.476 -1.242 10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.054 -1.479 10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.206 1.278 10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.141 -0.230 9.921 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.852 0.778 8.483 1.00 0.00 H new ATOM 1571 N GLY A 103 12.529 -3.256 5.898 1.00 0.00 N ATOM 1572 CA GLY A 103 12.717 -4.502 5.176 1.00 0.00 C ATOM 1573 C GLY A 103 11.481 -4.845 4.343 1.00 0.00 C ATOM 1574 O GLY A 103 11.086 -6.007 4.259 1.00 0.00 O ATOM 0 H GLY A 103 11.916 -2.584 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.588 -4.421 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.920 -5.308 5.881 1.00 0.00 H new ATOM 1578 N ALA A 104 10.902 -3.811 3.748 1.00 0.00 N ATOM 1579 CA ALA A 104 9.719 -3.988 2.923 1.00 0.00 C ATOM 1580 C ALA A 104 10.140 -4.147 1.460 1.00 0.00 C ATOM 1581 O ALA A 104 11.228 -3.723 1.074 1.00 0.00 O ATOM 1582 CB ALA A 104 8.770 -2.806 3.132 1.00 0.00 C ATOM 0 H ALA A 104 11.231 -2.848 3.821 1.00 0.00 H new ATOM 0 HA ALA A 104 9.183 -4.892 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.882 -2.938 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.477 -2.756 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.274 -1.881 2.851 1.00 0.00 H new ATOM 1588 N ASN A 105 9.255 -4.759 0.687 1.00 0.00 N ATOM 1589 CA ASN A 105 9.521 -4.979 -0.725 1.00 0.00 C ATOM 1590 C ASN A 105 9.470 -3.640 -1.463 1.00 0.00 C ATOM 1591 O ASN A 105 10.375 -3.315 -2.231 1.00 0.00 O ATOM 1592 CB ASN A 105 8.471 -5.902 -1.345 1.00 0.00 C ATOM 1593 CG ASN A 105 8.982 -6.512 -2.653 1.00 0.00 C ATOM 1594 OD1 ASN A 105 9.727 -7.479 -2.667 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.542 -5.896 -3.746 1.00 0.00 N ATOM 0 H ASN A 105 8.354 -5.109 1.011 1.00 0.00 H new ATOM 0 HA ASN A 105 10.505 -5.440 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.220 -6.697 -0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.555 -5.342 -1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.826 -6.228 -4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.920 -5.092 -3.663 1.00 0.00 H new ATOM 1602 N ASN A 106 8.403 -2.899 -1.205 1.00 0.00 N ATOM 1603 CA ASN A 106 8.222 -1.602 -1.837 1.00 0.00 C ATOM 1604 C ASN A 106 7.122 -0.832 -1.104 1.00 0.00 C ATOM 1605 O ASN A 106 5.963 -1.244 -1.107 1.00 0.00 O ATOM 1606 CB ASN A 106 7.799 -1.756 -3.298 1.00 0.00 C ATOM 1607 CG ASN A 106 8.898 -1.265 -4.243 1.00 0.00 C ATOM 1608 OD1 ASN A 106 8.797 -0.221 -4.864 1.00 0.00 O ATOM 1609 ND2 ASN A 106 9.950 -2.075 -4.315 1.00 0.00 N ATOM 0 H ASN A 106 7.655 -3.171 -0.567 1.00 0.00 H new ATOM 0 HA ASN A 106 9.172 -1.069 -1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.576 -2.802 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.883 -1.193 -3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.737 -1.836 -4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.970 -2.935 -3.767 1.00 0.00 H new ATOM 1616 N VAL A 107 7.524 0.274 -0.493 1.00 0.00 N ATOM 1617 CA VAL A 107 6.586 1.105 0.243 1.00 0.00 C ATOM 1618 C VAL A 107 6.668 2.541 -0.279 1.00 0.00 C ATOM 1619 O VAL A 107 7.753 3.113 -0.367 1.00 0.00 O ATOM 1620 CB VAL A 107 6.857 0.998 1.744 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.282 1.444 2.077 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.830 1.798 2.546 1.00 0.00 C ATOM 0 H VAL A 107 8.486 0.613 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 107 5.564 0.759 0.087 1.00 0.00 H new ATOM 0 HB VAL A 107 6.759 -0.050 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.449 1.358 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.994 0.811 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.420 2.481 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.046 1.704 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.880 2.848 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.830 1.413 2.344 1.00 0.00 H new ATOM 1632 N LEU A 108 5.505 3.084 -0.611 1.00 0.00 N ATOM 1633 CA LEU A 108 5.431 4.441 -1.120 1.00 0.00 C ATOM 1634 C LEU A 108 4.523 5.274 -0.212 1.00 0.00 C ATOM 1635 O LEU A 108 3.571 4.751 0.366 1.00 0.00 O ATOM 1636 CB LEU A 108 4.999 4.441 -2.588 1.00 0.00 C ATOM 1637 CG LEU A 108 6.092 4.118 -3.609 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.402 4.825 -3.251 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.278 2.607 -3.754 1.00 0.00 C ATOM 0 H LEU A 108 4.606 2.607 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 108 6.416 4.908 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.192 3.718 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.587 5.422 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 108 5.775 4.498 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.163 4.579 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.242 5.903 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.735 4.497 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.060 2.405 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.562 2.181 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.344 2.156 -4.088 1.00 0.00 H new ATOM 1651 N ALA A 109 4.848 6.555 -0.117 1.00 0.00 N ATOM 1652 CA ALA A 109 4.074 7.464 0.710 1.00 0.00 C ATOM 1653 C ALA A 109 3.173 8.319 -0.184 1.00 0.00 C ATOM 1654 O ALA A 109 3.292 8.281 -1.408 1.00 0.00 O ATOM 1655 CB ALA A 109 5.020 8.311 1.564 1.00 0.00 C ATOM 0 H ALA A 109 5.637 6.985 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 109 3.430 6.908 1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.438 8.993 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.616 7.659 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.681 8.885 0.915 1.00 0.00 H new ATOM 1661 N LYS A 110 2.291 9.069 0.462 1.00 0.00 N ATOM 1662 CA LYS A 110 1.371 9.930 -0.260 1.00 0.00 C ATOM 1663 C LYS A 110 1.290 11.286 0.445 1.00 0.00 C ATOM 1664 O LYS A 110 0.227 11.680 0.921 1.00 0.00 O ATOM 1665 CB LYS A 110 0.015 9.243 -0.430 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.588 9.551 -1.802 1.00 0.00 C ATOM 1667 CD LYS A 110 -0.474 11.041 -2.129 1.00 0.00 C ATOM 1668 CE LYS A 110 -1.607 11.488 -3.055 1.00 0.00 C ATOM 1669 NZ LYS A 110 -1.172 12.624 -3.897 1.00 0.00 N ATOM 0 H LYS A 110 2.195 9.098 1.477 1.00 0.00 H new ATOM 0 HA LYS A 110 1.736 10.116 -1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.132 8.166 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.666 9.576 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.077 8.967 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.636 9.251 -1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.502 11.622 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.487 11.240 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.916 10.656 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.475 11.778 -2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.005 13.086 -4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.651 13.309 -3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.553 12.276 -4.657 1.00 0.00 H new ATOM 1683 N PRO A 111 2.458 11.981 0.491 1.00 0.00 N ATOM 1684 CA PRO A 111 2.530 13.284 1.130 1.00 0.00 C ATOM 1685 C PRO A 111 1.885 14.360 0.254 1.00 0.00 C ATOM 1686 O PRO A 111 1.093 14.049 -0.636 1.00 0.00 O ATOM 1687 CB PRO A 111 4.011 13.524 1.370 1.00 0.00 C ATOM 1688 CG PRO A 111 4.744 12.566 0.445 1.00 0.00 C ATOM 1689 CD PRO A 111 3.738 11.546 -0.062 1.00 0.00 C ATOM 0 HA PRO A 111 1.977 13.323 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.279 14.558 1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.273 13.338 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.192 13.108 -0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.556 12.070 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.712 11.524 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.992 10.540 0.271 1.00 0.00 H new ATOM 1697 N PHE A 112 2.245 15.603 0.536 1.00 0.00 N ATOM 1698 CA PHE A 112 1.711 16.726 -0.214 1.00 0.00 C ATOM 1699 C PHE A 112 2.643 17.110 -1.365 1.00 0.00 C ATOM 1700 O PHE A 112 2.565 18.220 -1.889 1.00 0.00 O ATOM 1701 CB PHE A 112 1.607 17.904 0.757 1.00 0.00 C ATOM 1702 CG PHE A 112 0.211 18.100 1.351 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -0.839 18.393 0.538 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.020 17.979 2.692 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -2.135 18.574 1.090 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -1.277 18.160 3.244 1.00 0.00 C ATOM 1707 CZ PHE A 112 -2.327 18.454 2.431 1.00 0.00 C ATOM 0 H PHE A 112 2.901 15.857 1.275 1.00 0.00 H new ATOM 0 HA PHE A 112 0.742 16.462 -0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.319 17.756 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.901 18.816 0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.687 18.488 -0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.854 17.745 3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.969 18.807 0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.429 18.064 4.309 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.313 18.592 2.850 1.00 0.00 H new ATOM 1717 N THR A 113 3.506 16.170 -1.724 1.00 0.00 N ATOM 1718 CA THR A 113 4.453 16.396 -2.803 1.00 0.00 C ATOM 1719 C THR A 113 4.241 15.372 -3.920 1.00 0.00 C ATOM 1720 O THR A 113 4.746 14.253 -3.845 1.00 0.00 O ATOM 1721 CB THR A 113 5.862 16.365 -2.209 1.00 0.00 C ATOM 1722 OG1 THR A 113 6.711 16.183 -3.339 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.110 15.123 -1.352 1.00 0.00 C ATOM 0 H THR A 113 3.569 15.251 -1.287 1.00 0.00 H new ATOM 0 HA THR A 113 4.302 17.371 -3.266 1.00 0.00 H new ATOM 0 HB THR A 113 6.021 17.259 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.645 16.153 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.125 15.151 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.398 15.102 -0.527 1.00 0.00 H new ATOM 0 HG23 THR A 113 5.984 14.229 -1.962 1.00 0.00 H new ATOM 1731 N ILE A 114 3.496 15.792 -4.932 1.00 0.00 N ATOM 1732 CA ILE A 114 3.212 14.926 -6.063 1.00 0.00 C ATOM 1733 C ILE A 114 4.523 14.346 -6.597 1.00 0.00 C ATOM 1734 O ILE A 114 4.535 13.262 -7.179 1.00 0.00 O ATOM 1735 CB ILE A 114 2.396 15.674 -7.119 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.214 16.806 -7.745 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.074 16.178 -6.536 1.00 0.00 C ATOM 1738 CD1 ILE A 114 3.533 16.506 -9.211 1.00 0.00 C ATOM 0 H ILE A 114 3.080 16.721 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 114 2.593 14.084 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 114 2.150 14.974 -7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.660 17.742 -7.674 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.141 16.941 -7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.514 16.706 -7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.488 15.332 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.277 16.856 -5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.115 17.326 -9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.108 15.582 -9.277 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.604 16.396 -9.770 1.00 0.00 H new ATOM 1750 N GLU A 115 5.596 15.093 -6.380 1.00 0.00 N ATOM 1751 CA GLU A 115 6.909 14.666 -6.832 1.00 0.00 C ATOM 1752 C GLU A 115 7.326 13.381 -6.114 1.00 0.00 C ATOM 1753 O GLU A 115 7.892 12.478 -6.728 1.00 0.00 O ATOM 1754 CB GLU A 115 7.946 15.772 -6.624 1.00 0.00 C ATOM 1755 CG GLU A 115 8.250 16.493 -7.939 1.00 0.00 C ATOM 1756 CD GLU A 115 8.430 17.996 -7.711 1.00 0.00 C ATOM 1757 OE1 GLU A 115 9.495 18.364 -7.170 1.00 0.00 O ATOM 1758 OE2 GLU A 115 7.499 18.742 -8.083 1.00 0.00 O ATOM 0 H GLU A 115 5.583 15.991 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 115 6.855 14.460 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.577 16.488 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.863 15.344 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.154 16.078 -8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.439 16.323 -8.647 1.00 0.00 H new ATOM 1765 N LYS A 116 7.029 13.340 -4.824 1.00 0.00 N ATOM 1766 CA LYS A 116 7.367 12.180 -4.015 1.00 0.00 C ATOM 1767 C LYS A 116 6.391 11.044 -4.329 1.00 0.00 C ATOM 1768 O LYS A 116 6.806 9.958 -4.729 1.00 0.00 O ATOM 1769 CB LYS A 116 7.417 12.556 -2.533 1.00 0.00 C ATOM 1770 CG LYS A 116 8.505 11.766 -1.803 1.00 0.00 C ATOM 1771 CD LYS A 116 9.891 12.110 -2.350 1.00 0.00 C ATOM 1772 CE LYS A 116 10.749 12.792 -1.282 1.00 0.00 C ATOM 1773 NZ LYS A 116 12.064 13.178 -1.841 1.00 0.00 N ATOM 0 H LYS A 116 6.558 14.090 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 116 8.366 11.821 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.608 13.624 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.449 12.360 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.466 11.986 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.321 10.698 -1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.386 11.202 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.792 12.766 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.235 13.675 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.890 12.119 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.633 13.639 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.560 12.329 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.924 13.837 -2.633 1.00 0.00 H new ATOM 1787 N MET A 117 5.113 11.334 -4.136 1.00 0.00 N ATOM 1788 CA MET A 117 4.074 10.351 -4.393 1.00 0.00 C ATOM 1789 C MET A 117 4.171 9.812 -5.821 1.00 0.00 C ATOM 1790 O MET A 117 4.245 8.603 -6.029 1.00 0.00 O ATOM 1791 CB MET A 117 2.701 10.991 -4.180 1.00 0.00 C ATOM 1792 CG MET A 117 1.593 10.119 -4.773 1.00 0.00 C ATOM 1793 SD MET A 117 0.823 10.960 -6.146 1.00 0.00 S ATOM 1794 CE MET A 117 -0.019 9.588 -6.917 1.00 0.00 C ATOM 0 H MET A 117 4.773 12.237 -3.804 1.00 0.00 H new ATOM 0 HA MET A 117 4.207 9.519 -3.701 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.524 11.135 -3.114 1.00 0.00 H new ATOM 0 HB3 MET A 117 2.680 11.978 -4.643 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.007 9.167 -5.105 1.00 0.00 H new ATOM 0 HG3 MET A 117 0.848 9.894 -4.010 1.00 0.00 H new ATOM 0 HE1 MET A 117 -0.892 9.954 -7.457 1.00 0.00 H new ATOM 0 HE2 MET A 117 0.657 9.091 -7.613 1.00 0.00 H new ATOM 0 HE3 MET A 117 -0.337 8.880 -6.152 1.00 0.00 H new ATOM 1804 N LYS A 118 4.167 10.738 -6.770 1.00 0.00 N ATOM 1805 CA LYS A 118 4.253 10.371 -8.172 1.00 0.00 C ATOM 1806 C LYS A 118 5.526 9.553 -8.405 1.00 0.00 C ATOM 1807 O LYS A 118 5.460 8.415 -8.866 1.00 0.00 O ATOM 1808 CB LYS A 118 4.153 11.615 -9.058 1.00 0.00 C ATOM 1809 CG LYS A 118 3.881 11.231 -10.514 1.00 0.00 C ATOM 1810 CD LYS A 118 4.431 12.289 -11.472 1.00 0.00 C ATOM 1811 CE LYS A 118 4.406 11.787 -12.917 1.00 0.00 C ATOM 1812 NZ LYS A 118 4.209 12.915 -13.856 1.00 0.00 N ATOM 0 H LYS A 118 4.106 11.741 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 118 3.411 9.738 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.355 12.262 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.080 12.186 -8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.339 10.266 -10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 118 2.808 11.117 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 118 3.840 13.201 -11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.452 12.544 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.340 11.275 -13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 118 3.604 11.059 -13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 4.195 12.556 -14.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 3.306 13.387 -13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.988 13.596 -13.749 1.00 0.00 H new ATOM 1826 N ALA A 119 6.653 10.165 -8.074 1.00 0.00 N ATOM 1827 CA ALA A 119 7.938 9.507 -8.241 1.00 0.00 C ATOM 1828 C ALA A 119 7.929 8.179 -7.481 1.00 0.00 C ATOM 1829 O ALA A 119 8.529 7.202 -7.925 1.00 0.00 O ATOM 1830 CB ALA A 119 9.054 10.440 -7.767 1.00 0.00 C ATOM 0 H ALA A 119 6.703 11.109 -7.691 1.00 0.00 H new ATOM 0 HA ALA A 119 8.121 9.285 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.018 9.947 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.036 11.357 -8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.904 10.682 -6.715 1.00 0.00 H new ATOM 1836 N ALA A 120 7.239 8.185 -6.350 1.00 0.00 N ATOM 1837 CA ALA A 120 7.144 6.993 -5.525 1.00 0.00 C ATOM 1838 C ALA A 120 6.529 5.858 -6.346 1.00 0.00 C ATOM 1839 O ALA A 120 7.128 4.794 -6.488 1.00 0.00 O ATOM 1840 CB ALA A 120 6.333 7.307 -4.266 1.00 0.00 C ATOM 0 H ALA A 120 6.740 8.997 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 120 8.134 6.669 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.262 6.413 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.827 8.099 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.332 7.633 -4.550 1.00 0.00 H new ATOM 1846 N ILE A 121 5.340 6.124 -6.866 1.00 0.00 N ATOM 1847 CA ILE A 121 4.637 5.138 -7.670 1.00 0.00 C ATOM 1848 C ILE A 121 5.510 4.742 -8.861 1.00 0.00 C ATOM 1849 O ILE A 121 5.601 3.564 -9.204 1.00 0.00 O ATOM 1850 CB ILE A 121 3.254 5.659 -8.068 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.265 6.210 -9.495 1.00 0.00 C ATOM 1852 CG2 ILE A 121 2.745 6.691 -7.058 1.00 0.00 C ATOM 1853 CD1 ILE A 121 1.851 6.565 -9.957 1.00 0.00 C ATOM 0 H ILE A 121 4.845 7.008 -6.746 1.00 0.00 H new ATOM 0 HA ILE A 121 4.457 4.232 -7.091 1.00 0.00 H new ATOM 0 HB ILE A 121 2.556 4.822 -8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.900 7.095 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.697 5.472 -10.170 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.761 7.045 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.675 6.231 -6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.437 7.532 -7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.888 6.954 -10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.225 5.673 -9.932 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.431 7.321 -9.294 1.00 0.00 H new ATOM 1865 N GLU A 122 6.131 5.748 -9.460 1.00 0.00 N ATOM 1866 CA GLU A 122 6.995 5.518 -10.606 1.00 0.00 C ATOM 1867 C GLU A 122 8.088 4.508 -10.253 1.00 0.00 C ATOM 1868 O GLU A 122 8.695 3.908 -11.140 1.00 0.00 O ATOM 1869 CB GLU A 122 7.602 6.830 -11.107 1.00 0.00 C ATOM 1870 CG GLU A 122 6.521 7.754 -11.671 1.00 0.00 C ATOM 1871 CD GLU A 122 7.032 8.508 -12.901 1.00 0.00 C ATOM 1872 OE1 GLU A 122 7.837 9.443 -12.699 1.00 0.00 O ATOM 1873 OE2 GLU A 122 6.606 8.132 -14.015 1.00 0.00 O ATOM 0 H GLU A 122 6.053 6.724 -9.173 1.00 0.00 H new ATOM 0 HA GLU A 122 6.392 5.103 -11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.122 7.330 -10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.345 6.621 -11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.641 7.169 -11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.211 8.466 -10.906 1.00 0.00 H new ATOM 1880 N ALA A 123 8.306 4.349 -8.955 1.00 0.00 N ATOM 1881 CA ALA A 123 9.316 3.422 -8.474 1.00 0.00 C ATOM 1882 C ALA A 123 8.689 2.037 -8.300 1.00 0.00 C ATOM 1883 O ALA A 123 9.237 1.040 -8.769 1.00 0.00 O ATOM 1884 CB ALA A 123 9.922 3.955 -7.175 1.00 0.00 C ATOM 0 H ALA A 123 7.800 4.847 -8.222 1.00 0.00 H new ATOM 0 HA ALA A 123 10.126 3.329 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.680 3.259 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.380 4.927 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.139 4.059 -6.424 1.00 0.00 H new ATOM 1890 N VAL A 124 7.549 2.020 -7.625 1.00 0.00 N ATOM 1891 CA VAL A 124 6.841 0.774 -7.382 1.00 0.00 C ATOM 1892 C VAL A 124 6.442 0.150 -8.722 1.00 0.00 C ATOM 1893 O VAL A 124 6.345 -1.070 -8.837 1.00 0.00 O ATOM 1894 CB VAL A 124 5.647 1.021 -6.459 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.340 1.063 -7.252 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.583 -0.032 -5.351 1.00 0.00 C ATOM 0 H VAL A 124 7.098 2.849 -7.239 1.00 0.00 H new ATOM 0 HA VAL A 124 7.488 0.061 -6.870 1.00 0.00 H new ATOM 0 HB VAL A 124 5.784 1.994 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.507 1.240 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.386 1.867 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.194 0.112 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.725 0.167 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.482 -1.022 -5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.497 0.008 -4.758 1.00 0.00 H new ATOM 1906 N PHE A 125 6.223 1.017 -9.700 1.00 0.00 N ATOM 1907 CA PHE A 125 5.836 0.567 -11.026 1.00 0.00 C ATOM 1908 C PHE A 125 7.065 0.366 -11.916 1.00 0.00 C ATOM 1909 O PHE A 125 6.974 -0.249 -12.977 1.00 0.00 O ATOM 1910 CB PHE A 125 4.956 1.661 -11.631 1.00 0.00 C ATOM 1911 CG PHE A 125 3.696 1.966 -10.819 1.00 0.00 C ATOM 1912 CD1 PHE A 125 3.275 1.095 -9.862 1.00 0.00 C ATOM 1913 CD2 PHE A 125 2.996 3.109 -11.052 1.00 0.00 C ATOM 1914 CE1 PHE A 125 2.106 1.378 -9.108 1.00 0.00 C ATOM 1915 CE2 PHE A 125 1.827 3.392 -10.297 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.407 2.521 -9.342 1.00 0.00 C ATOM 0 H PHE A 125 6.306 2.029 -9.600 1.00 0.00 H new ATOM 0 HA PHE A 125 5.310 -0.385 -10.957 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.544 2.574 -11.727 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.664 1.363 -12.638 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.831 0.188 -9.676 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.329 3.801 -11.811 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.772 0.686 -8.349 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.272 4.300 -10.482 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.518 2.737 -8.769 1.00 0.00 H new