USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 57 SER OG : rot -110:sc= -0.479 USER MOD Set 1.2: A 59 MET CE :methyl 136:sc= -1.88 (180deg=-2.64) USER MOD Set 2.1: A 40 MET CE :methyl -114:sc= -4 (180deg=-12.2!) USER MOD Set 2.2: A 47 THR OG1 : rot -160:sc= -1.26 USER MOD Set 3.1: A 23 ASN : amide:sc= -6.78! C(o=-9.8!,f=-22!) USER MOD Set 3.2: A 24 GLN : amide:sc= -3.03! C(o=-9.8!,f=-10!) USER MOD Single : A 10 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-2.8) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -2:sc= 0.564 USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= -0.0546 (180deg=-0.304) USER MOD Single : A 27 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.7!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 167:sc= -0.135 (180deg=-0.564) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 81:sc= 0.47 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.0237 K(o=-0.024,f=-3.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0198 K(o=-0.02,f=-0.88) USER MOD Single : A 62 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.219 -0.965 -7.477 1.00 0.00 N ATOM 60 CA GLY A 7 -2.343 0.142 -7.823 1.00 0.00 C ATOM 61 C GLY A 7 -1.289 0.367 -6.736 1.00 0.00 C ATOM 62 O GLY A 7 -0.945 1.506 -6.427 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.852 -0.062 -8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.932 1.049 -7.956 1.00 0.00 H new ATOM 66 N LEU A 8 -0.806 -0.738 -6.188 1.00 0.00 N ATOM 67 CA LEU A 8 0.201 -0.676 -5.142 1.00 0.00 C ATOM 68 C LEU A 8 1.307 -1.690 -5.444 1.00 0.00 C ATOM 69 O LEU A 8 2.490 -1.364 -5.368 1.00 0.00 O ATOM 70 CB LEU A 8 -0.442 -0.860 -3.766 1.00 0.00 C ATOM 71 CG LEU A 8 -1.757 -0.113 -3.536 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.605 -0.811 -2.471 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.501 1.356 -3.193 1.00 0.00 C ATOM 0 H LEU A 8 -1.093 -1.681 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 8 0.667 0.309 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.619 -1.924 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.272 -0.540 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.327 -0.132 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.534 -0.260 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.832 -1.827 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.054 -0.845 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.452 1.864 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.901 1.418 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.967 1.834 -4.015 1.00 0.00 H new ATOM 85 N ASP A 9 0.881 -2.899 -5.781 1.00 0.00 N ATOM 86 CA ASP A 9 1.820 -3.962 -6.095 1.00 0.00 C ATOM 87 C ASP A 9 2.809 -3.467 -7.153 1.00 0.00 C ATOM 88 O ASP A 9 3.917 -3.991 -7.265 1.00 0.00 O ATOM 89 CB ASP A 9 1.097 -5.186 -6.660 1.00 0.00 C ATOM 90 CG ASP A 9 -0.150 -5.615 -5.885 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.671 -4.764 -5.131 1.00 0.00 O ATOM 92 OD2 ASP A 9 -0.555 -6.784 -6.063 1.00 0.00 O ATOM 0 H ASP A 9 -0.102 -3.165 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 9 2.335 -4.240 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.812 -4.977 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.796 -6.022 -6.686 1.00 0.00 H new ATOM 97 N HIS A 10 2.373 -2.465 -7.902 1.00 0.00 N ATOM 98 CA HIS A 10 3.206 -1.894 -8.947 1.00 0.00 C ATOM 99 C HIS A 10 4.041 -0.749 -8.369 1.00 0.00 C ATOM 100 O HIS A 10 5.189 -0.553 -8.764 1.00 0.00 O ATOM 101 CB HIS A 10 2.357 -1.463 -10.144 1.00 0.00 C ATOM 102 CG HIS A 10 1.717 -0.105 -9.985 1.00 0.00 C ATOM 103 ND1 HIS A 10 0.759 0.165 -9.023 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.907 1.056 -10.676 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.396 1.434 -9.139 1.00 0.00 C ATOM 106 NE2 HIS A 10 1.108 1.984 -10.164 1.00 0.00 N ATOM 0 H HIS A 10 1.454 -2.034 -7.806 1.00 0.00 H new ATOM 0 HA HIS A 10 3.897 -2.650 -9.320 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.983 -1.456 -11.037 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.575 -2.205 -10.308 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.591 1.196 -11.500 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.335 1.943 -8.529 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.038 2.950 -10.484 1.00 0.00 H new ATOM 114 N ILE A 11 3.432 -0.024 -7.443 1.00 0.00 N ATOM 115 CA ILE A 11 4.104 1.096 -6.807 1.00 0.00 C ATOM 116 C ILE A 11 5.515 0.671 -6.395 1.00 0.00 C ATOM 117 O ILE A 11 5.764 -0.507 -6.144 1.00 0.00 O ATOM 118 CB ILE A 11 3.263 1.640 -5.650 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.980 2.296 -6.166 1.00 0.00 C ATOM 120 CG2 ILE A 11 4.082 2.592 -4.777 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.244 3.022 -5.038 1.00 0.00 C ATOM 0 H ILE A 11 2.480 -0.190 -7.118 1.00 0.00 H new ATOM 0 HA ILE A 11 4.211 1.923 -7.508 1.00 0.00 H new ATOM 0 HB ILE A 11 2.965 0.802 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.222 3.002 -6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.329 1.538 -6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.461 2.964 -3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.940 2.061 -4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.430 3.431 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.336 3.479 -5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.982 2.309 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.889 3.796 -4.622 1.00 0.00 H new ATOM 133 N THR A 12 6.402 1.654 -6.337 1.00 0.00 N ATOM 134 CA THR A 12 7.781 1.396 -5.959 1.00 0.00 C ATOM 135 C THR A 12 8.097 2.054 -4.615 1.00 0.00 C ATOM 136 O THR A 12 7.630 3.156 -4.334 1.00 0.00 O ATOM 137 CB THR A 12 8.681 1.878 -7.099 1.00 0.00 C ATOM 138 OG1 THR A 12 7.951 1.554 -8.279 1.00 0.00 O ATOM 139 CG2 THR A 12 9.966 1.056 -7.218 1.00 0.00 C ATOM 0 H THR A 12 6.192 2.630 -6.545 1.00 0.00 H new ATOM 0 HA THR A 12 7.959 0.331 -5.813 1.00 0.00 H new ATOM 0 HB THR A 12 8.934 2.927 -6.943 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.462 1.834 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.568 1.439 -8.042 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.532 1.130 -6.290 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.714 0.013 -7.408 1.00 0.00 H new ATOM 147 N VAL A 13 8.889 1.350 -3.819 1.00 0.00 N ATOM 148 CA VAL A 13 9.274 1.852 -2.511 1.00 0.00 C ATOM 149 C VAL A 13 10.781 2.113 -2.493 1.00 0.00 C ATOM 150 O VAL A 13 11.573 1.221 -2.793 1.00 0.00 O ATOM 151 CB VAL A 13 8.823 0.875 -1.423 1.00 0.00 C ATOM 152 CG1 VAL A 13 9.221 1.380 -0.034 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.316 0.622 -1.504 1.00 0.00 C ATOM 0 H VAL A 13 9.275 0.436 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 13 8.778 2.800 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 13 9.331 -0.074 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.889 0.668 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.305 1.485 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.753 2.347 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.022 -0.076 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.782 1.563 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.070 0.198 -2.478 1.00 0.00 H new ATOM 163 N VAL A 14 11.133 3.340 -2.137 1.00 0.00 N ATOM 164 CA VAL A 14 12.531 3.729 -2.076 1.00 0.00 C ATOM 165 C VAL A 14 13.171 3.121 -0.827 1.00 0.00 C ATOM 166 O VAL A 14 12.852 3.516 0.294 1.00 0.00 O ATOM 167 CB VAL A 14 12.652 5.254 -2.128 1.00 0.00 C ATOM 168 CG1 VAL A 14 14.024 5.712 -1.629 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.379 5.778 -3.539 1.00 0.00 C ATOM 0 H VAL A 14 10.474 4.077 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 14 13.073 3.343 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 14 11.896 5.673 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.084 6.799 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.164 5.385 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.803 5.278 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.471 6.864 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.100 5.347 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.370 5.497 -3.843 1.00 0.00 H new ATOM 179 N THR A 15 14.063 2.169 -1.061 1.00 0.00 N ATOM 180 CA THR A 15 14.750 1.502 0.031 1.00 0.00 C ATOM 181 C THR A 15 16.154 2.084 0.213 1.00 0.00 C ATOM 182 O THR A 15 16.679 2.739 -0.686 1.00 0.00 O ATOM 183 CB THR A 15 14.748 0.000 -0.256 1.00 0.00 C ATOM 184 OG1 THR A 15 15.397 -0.113 -1.519 1.00 0.00 O ATOM 185 CG2 THR A 15 13.342 -0.546 -0.509 1.00 0.00 C ATOM 0 H THR A 15 14.325 1.844 -1.992 1.00 0.00 H new ATOM 0 HA THR A 15 14.238 1.667 0.979 1.00 0.00 H new ATOM 0 HB THR A 15 15.197 -0.530 0.584 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.620 0.781 -1.853 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.398 -1.616 -0.708 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.720 -0.372 0.369 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.904 -0.040 -1.369 1.00 0.00 H new ATOM 193 N ALA A 16 16.721 1.824 1.381 1.00 0.00 N ATOM 194 CA ALA A 16 18.053 2.314 1.692 1.00 0.00 C ATOM 195 C ALA A 16 19.089 1.464 0.954 1.00 0.00 C ATOM 196 O ALA A 16 19.877 0.756 1.580 1.00 0.00 O ATOM 197 CB ALA A 16 18.262 2.301 3.208 1.00 0.00 C ATOM 0 H ALA A 16 16.282 1.280 2.124 1.00 0.00 H new ATOM 0 HA ALA A 16 18.171 3.344 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.261 2.669 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.520 2.942 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.154 1.283 3.581 1.00 0.00 H new ATOM 203 N ASP A 17 19.056 1.563 -0.367 1.00 0.00 N ATOM 204 CA ASP A 17 19.982 0.812 -1.197 1.00 0.00 C ATOM 205 C ASP A 17 19.556 0.927 -2.662 1.00 0.00 C ATOM 206 O ASP A 17 20.399 0.943 -3.558 1.00 0.00 O ATOM 207 CB ASP A 17 19.982 -0.671 -0.820 1.00 0.00 C ATOM 208 CG ASP A 17 20.603 -1.603 -1.863 1.00 0.00 C ATOM 209 OD1 ASP A 17 21.796 -1.395 -2.172 1.00 0.00 O ATOM 210 OD2 ASP A 17 19.869 -2.503 -2.327 1.00 0.00 O ATOM 0 H ASP A 17 18.402 2.152 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 17 20.980 1.223 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 17 20.521 -0.792 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.954 -0.985 -0.640 1.00 0.00 H new ATOM 215 N GLY A 18 18.248 1.005 -2.860 1.00 0.00 N ATOM 216 CA GLY A 18 17.700 1.118 -4.201 1.00 0.00 C ATOM 217 C GLY A 18 16.175 1.237 -4.162 1.00 0.00 C ATOM 218 O GLY A 18 15.614 1.753 -3.197 1.00 0.00 O ATOM 0 H GLY A 18 17.552 0.992 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 18 18.124 1.990 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.985 0.246 -4.789 1.00 0.00 H new ATOM 222 N LYS A 19 15.548 0.750 -5.223 1.00 0.00 N ATOM 223 CA LYS A 19 14.099 0.795 -5.322 1.00 0.00 C ATOM 224 C LYS A 19 13.562 -0.623 -5.526 1.00 0.00 C ATOM 225 O LYS A 19 14.228 -1.462 -6.131 1.00 0.00 O ATOM 226 CB LYS A 19 13.667 1.779 -6.411 1.00 0.00 C ATOM 227 CG LYS A 19 12.895 2.956 -5.812 1.00 0.00 C ATOM 228 CD LYS A 19 12.763 4.097 -6.823 1.00 0.00 C ATOM 229 CE LYS A 19 11.521 4.943 -6.536 1.00 0.00 C ATOM 230 NZ LYS A 19 11.845 6.384 -6.618 1.00 0.00 N ATOM 0 H LYS A 19 16.017 0.322 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 19 13.665 1.170 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.545 2.148 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.044 1.266 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.904 2.625 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.407 3.314 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.652 4.726 -6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.704 3.689 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.735 4.700 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.134 4.707 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.073 6.938 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.728 6.571 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.963 6.657 -7.615 1.00 0.00 H new ATOM 244 N VAL A 20 12.363 -0.847 -5.008 1.00 0.00 N ATOM 245 CA VAL A 20 11.729 -2.149 -5.126 1.00 0.00 C ATOM 246 C VAL A 20 10.213 -1.967 -5.222 1.00 0.00 C ATOM 247 O VAL A 20 9.698 -0.879 -4.969 1.00 0.00 O ATOM 248 CB VAL A 20 12.150 -3.044 -3.958 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.667 -3.244 -3.940 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.657 -2.475 -2.626 1.00 0.00 C ATOM 0 H VAL A 20 11.814 -0.149 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 20 12.055 -2.651 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 20 11.685 -4.020 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.940 -3.884 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.983 -3.713 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.160 -2.278 -3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.970 -3.130 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.081 -1.482 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.569 -2.407 -2.640 1.00 0.00 H new ATOM 260 N ALA A 21 9.541 -3.048 -5.589 1.00 0.00 N ATOM 261 CA ALA A 21 8.095 -3.021 -5.722 1.00 0.00 C ATOM 262 C ALA A 21 7.456 -3.277 -4.356 1.00 0.00 C ATOM 263 O ALA A 21 7.995 -4.030 -3.546 1.00 0.00 O ATOM 264 CB ALA A 21 7.659 -4.046 -6.771 1.00 0.00 C ATOM 0 H ALA A 21 9.972 -3.949 -5.798 1.00 0.00 H new ATOM 0 HA ALA A 21 7.760 -2.042 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.574 -4.026 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.116 -3.802 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.976 -5.042 -6.461 1.00 0.00 H new ATOM 270 N LEU A 22 6.316 -2.637 -4.141 1.00 0.00 N ATOM 271 CA LEU A 22 5.598 -2.787 -2.887 1.00 0.00 C ATOM 272 C LEU A 22 5.335 -4.272 -2.629 1.00 0.00 C ATOM 273 O LEU A 22 5.077 -4.672 -1.495 1.00 0.00 O ATOM 274 CB LEU A 22 4.331 -1.929 -2.889 1.00 0.00 C ATOM 275 CG LEU A 22 4.158 -0.985 -1.697 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.748 -0.392 -1.667 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.512 -1.688 -0.385 1.00 0.00 C ATOM 0 H LEU A 22 5.872 -2.013 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 22 6.202 -2.421 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.320 -1.334 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.467 -2.592 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 22 4.854 -0.155 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.652 0.275 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.569 0.168 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.017 -1.196 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.381 -0.995 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.859 -2.549 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.549 -2.021 -0.419 1.00 0.00 H new ATOM 289 N ASN A 23 5.408 -5.048 -3.700 1.00 0.00 N ATOM 290 CA ASN A 23 5.181 -6.480 -3.604 1.00 0.00 C ATOM 291 C ASN A 23 6.521 -7.192 -3.411 1.00 0.00 C ATOM 292 O ASN A 23 6.692 -8.328 -3.850 1.00 0.00 O ATOM 293 CB ASN A 23 4.536 -7.022 -4.881 1.00 0.00 C ATOM 294 CG ASN A 23 5.453 -6.814 -6.088 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.633 -6.531 -5.963 1.00 0.00 O ATOM 296 ND2 ASN A 23 4.845 -6.970 -7.261 1.00 0.00 N ATOM 0 H ASN A 23 5.621 -4.712 -4.639 1.00 0.00 H new ATOM 0 HA ASN A 23 4.516 -6.661 -2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.321 -8.084 -4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.583 -6.521 -5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.370 -6.852 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.854 -7.207 -7.294 1.00 0.00 H new ATOM 303 N GLN A 24 7.436 -6.496 -2.753 1.00 0.00 N ATOM 304 CA GLN A 24 8.755 -7.048 -2.496 1.00 0.00 C ATOM 305 C GLN A 24 9.096 -6.937 -1.009 1.00 0.00 C ATOM 306 O GLN A 24 9.424 -7.935 -0.367 1.00 0.00 O ATOM 307 CB GLN A 24 9.815 -6.356 -3.355 1.00 0.00 C ATOM 308 CG GLN A 24 9.407 -6.349 -4.829 1.00 0.00 C ATOM 309 CD GLN A 24 9.235 -7.774 -5.358 1.00 0.00 C ATOM 310 OE1 GLN A 24 9.586 -8.749 -4.714 1.00 0.00 O ATOM 311 NE2 GLN A 24 8.678 -7.840 -6.564 1.00 0.00 N ATOM 0 H GLN A 24 7.290 -5.554 -2.390 1.00 0.00 H new ATOM 0 HA GLN A 24 8.746 -8.103 -2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.957 -5.332 -3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.771 -6.867 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.474 -5.798 -4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.163 -5.828 -5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.407 -6.984 -7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.521 -8.747 -7.004 1.00 0.00 H new ATOM 320 N ILE A 25 9.008 -5.716 -0.503 1.00 0.00 N ATOM 321 CA ILE A 25 9.304 -5.462 0.897 1.00 0.00 C ATOM 322 C ILE A 25 8.171 -6.019 1.762 1.00 0.00 C ATOM 323 O ILE A 25 8.414 -6.534 2.852 1.00 0.00 O ATOM 324 CB ILE A 25 9.578 -3.974 1.125 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.296 -3.152 0.980 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.689 -3.473 0.200 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.568 -1.665 1.218 1.00 0.00 C ATOM 0 H ILE A 25 8.736 -4.891 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 25 10.216 -5.979 1.194 1.00 0.00 H new ATOM 0 HB ILE A 25 9.929 -3.844 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.880 -3.294 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.550 -3.507 1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.864 -2.413 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.605 -4.031 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.391 -3.618 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.640 -1.103 1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.962 -1.524 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.296 -1.307 0.490 1.00 0.00 H new ATOM 339 N GLY A 26 6.958 -5.895 1.243 1.00 0.00 N ATOM 340 CA GLY A 26 5.788 -6.380 1.954 1.00 0.00 C ATOM 341 C GLY A 26 4.975 -7.339 1.083 1.00 0.00 C ATOM 342 O GLY A 26 5.053 -7.288 -0.143 1.00 0.00 O ATOM 0 H GLY A 26 6.761 -5.466 0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.098 -6.887 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.165 -5.537 2.253 1.00 0.00 H new ATOM 346 N GLN A 27 4.212 -8.193 1.751 1.00 0.00 N ATOM 347 CA GLN A 27 3.386 -9.163 1.053 1.00 0.00 C ATOM 348 C GLN A 27 1.948 -8.653 0.942 1.00 0.00 C ATOM 349 O GLN A 27 1.241 -8.554 1.944 1.00 0.00 O ATOM 350 CB GLN A 27 3.432 -10.524 1.749 1.00 0.00 C ATOM 351 CG GLN A 27 3.965 -11.605 0.806 1.00 0.00 C ATOM 352 CD GLN A 27 2.827 -12.478 0.274 1.00 0.00 C ATOM 353 OE1 GLN A 27 1.724 -12.490 0.795 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.155 -13.206 -0.790 1.00 0.00 N ATOM 0 H GLN A 27 4.149 -8.233 2.768 1.00 0.00 H new ATOM 0 HA GLN A 27 3.784 -9.293 0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.066 -10.463 2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.433 -10.795 2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.491 -11.139 -0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.690 -12.227 1.332 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.097 -13.149 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.464 -13.822 -1.219 1.00 0.00 H new ATOM 363 N ILE A 28 1.557 -8.342 -0.285 1.00 0.00 N ATOM 364 CA ILE A 28 0.216 -7.844 -0.540 1.00 0.00 C ATOM 365 C ILE A 28 -0.762 -9.020 -0.570 1.00 0.00 C ATOM 366 O ILE A 28 -0.587 -9.958 -1.346 1.00 0.00 O ATOM 367 CB ILE A 28 0.193 -6.993 -1.811 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.053 -5.738 -1.646 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.242 -6.654 -2.219 1.00 0.00 C ATOM 370 CD1 ILE A 28 1.714 -5.348 -2.970 1.00 0.00 C ATOM 0 H ILE A 28 2.146 -8.425 -1.114 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.104 -7.182 0.265 1.00 0.00 H new ATOM 0 HB ILE A 28 0.628 -7.578 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.436 -4.914 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.819 -5.915 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.229 -6.049 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.794 -7.575 -2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.726 -6.097 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.319 -4.453 -2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.350 -6.164 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.945 -5.148 -3.716 1.00 0.00 H new ATOM 382 N SER A 29 -1.771 -8.931 0.284 1.00 0.00 N ATOM 383 CA SER A 29 -2.778 -9.975 0.365 1.00 0.00 C ATOM 384 C SER A 29 -4.129 -9.371 0.752 1.00 0.00 C ATOM 385 O SER A 29 -4.288 -8.852 1.856 1.00 0.00 O ATOM 386 CB SER A 29 -2.371 -11.055 1.371 1.00 0.00 C ATOM 387 OG SER A 29 -3.135 -12.247 1.212 1.00 0.00 O ATOM 0 H SER A 29 -1.913 -8.151 0.926 1.00 0.00 H new ATOM 0 HA SER A 29 -2.865 -10.443 -0.615 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.312 -11.284 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.500 -10.674 2.384 1.00 0.00 H new ATOM 0 HG SER A 29 -2.844 -12.912 1.871 1.00 0.00 H new ATOM 393 N MET A 30 -5.069 -9.460 -0.178 1.00 0.00 N ATOM 394 CA MET A 30 -6.401 -8.928 0.052 1.00 0.00 C ATOM 395 C MET A 30 -7.181 -9.808 1.031 1.00 0.00 C ATOM 396 O MET A 30 -7.941 -10.682 0.616 1.00 0.00 O ATOM 397 CB MET A 30 -7.156 -8.849 -1.277 1.00 0.00 C ATOM 398 CG MET A 30 -7.292 -7.399 -1.745 1.00 0.00 C ATOM 399 SD MET A 30 -8.948 -7.104 -2.343 1.00 0.00 S ATOM 400 CE MET A 30 -9.308 -5.565 -1.513 1.00 0.00 C ATOM 0 H MET A 30 -4.934 -9.893 -1.092 1.00 0.00 H new ATOM 0 HA MET A 30 -6.305 -7.932 0.485 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.630 -9.431 -2.033 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.145 -9.293 -1.164 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.067 -6.720 -0.923 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.569 -7.194 -2.535 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.203 -5.119 -1.946 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.474 -5.754 -0.452 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.467 -4.882 -1.633 1.00 0.00 H new ATOM 410 N LYS A 31 -6.967 -9.547 2.312 1.00 0.00 N ATOM 411 CA LYS A 31 -7.640 -10.304 3.353 1.00 0.00 C ATOM 412 C LYS A 31 -8.990 -9.653 3.659 1.00 0.00 C ATOM 413 O LYS A 31 -9.891 -10.303 4.187 1.00 0.00 O ATOM 414 CB LYS A 31 -6.736 -10.450 4.579 1.00 0.00 C ATOM 415 CG LYS A 31 -7.454 -11.200 5.703 1.00 0.00 C ATOM 416 CD LYS A 31 -7.438 -12.709 5.452 1.00 0.00 C ATOM 417 CE LYS A 31 -6.062 -13.302 5.764 1.00 0.00 C ATOM 418 NZ LYS A 31 -6.121 -14.137 6.984 1.00 0.00 N ATOM 0 H LYS A 31 -6.336 -8.821 2.653 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.845 -11.319 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.827 -10.984 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.432 -9.464 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.973 -10.981 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.484 -10.851 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.195 -13.192 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.698 -12.911 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.719 -13.903 4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.336 -12.500 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.179 -14.531 7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.428 -13.554 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.798 -14.913 6.841 1.00 0.00 H new ATOM 432 N SER A 32 -9.088 -8.377 3.314 1.00 0.00 N ATOM 433 CA SER A 32 -10.313 -7.631 3.546 1.00 0.00 C ATOM 434 C SER A 32 -11.055 -7.422 2.224 1.00 0.00 C ATOM 435 O SER A 32 -10.563 -7.804 1.164 1.00 0.00 O ATOM 436 CB SER A 32 -10.021 -6.284 4.209 1.00 0.00 C ATOM 437 OG SER A 32 -8.627 -6.092 4.437 1.00 0.00 O ATOM 0 H SER A 32 -8.339 -7.841 2.876 1.00 0.00 H new ATOM 0 HA SER A 32 -10.943 -8.209 4.223 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.399 -5.480 3.578 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.555 -6.223 5.157 1.00 0.00 H new ATOM 0 HG SER A 32 -8.197 -5.798 3.607 1.00 0.00 H new ATOM 443 N PRO A 33 -12.260 -6.799 2.334 1.00 0.00 N ATOM 444 CA PRO A 33 -13.075 -6.535 1.161 1.00 0.00 C ATOM 445 C PRO A 33 -12.507 -5.368 0.350 1.00 0.00 C ATOM 446 O PRO A 33 -12.442 -5.432 -0.876 1.00 0.00 O ATOM 447 CB PRO A 33 -14.468 -6.258 1.703 1.00 0.00 C ATOM 448 CG PRO A 33 -14.283 -5.921 3.174 1.00 0.00 C ATOM 449 CD PRO A 33 -12.875 -6.333 3.573 1.00 0.00 C ATOM 0 HA PRO A 33 -13.092 -7.373 0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.938 -5.432 1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.115 -7.126 1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.431 -4.854 3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.021 -6.445 3.781 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.323 -5.495 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.891 -7.120 4.327 1.00 0.00 H new ATOM 457 N GLN A 34 -12.110 -4.328 1.069 1.00 0.00 N ATOM 458 CA GLN A 34 -11.549 -3.148 0.432 1.00 0.00 C ATOM 459 C GLN A 34 -10.372 -2.612 1.250 1.00 0.00 C ATOM 460 O GLN A 34 -10.288 -1.413 1.510 1.00 0.00 O ATOM 461 CB GLN A 34 -12.618 -2.070 0.237 1.00 0.00 C ATOM 462 CG GLN A 34 -13.419 -2.318 -1.043 1.00 0.00 C ATOM 463 CD GLN A 34 -14.923 -2.241 -0.772 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.646 -3.220 -0.857 1.00 0.00 O ATOM 465 NE2 GLN A 34 -15.351 -1.026 -0.442 1.00 0.00 N ATOM 0 H GLN A 34 -12.166 -4.278 2.086 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.181 -3.431 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.290 -2.060 1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.146 -1.089 0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.144 -1.581 -1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.169 -3.298 -1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.691 -0.250 -0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.339 -0.870 -0.242 1.00 0.00 H new ATOM 474 N VAL A 35 -9.493 -3.527 1.632 1.00 0.00 N ATOM 475 CA VAL A 35 -8.325 -3.161 2.415 1.00 0.00 C ATOM 476 C VAL A 35 -7.177 -4.116 2.086 1.00 0.00 C ATOM 477 O VAL A 35 -7.199 -5.280 2.483 1.00 0.00 O ATOM 478 CB VAL A 35 -8.678 -3.140 3.903 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.429 -3.329 4.766 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.412 -1.850 4.275 1.00 0.00 C ATOM 0 H VAL A 35 -9.566 -4.521 1.414 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.994 -2.154 2.160 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.350 -3.976 4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.708 -3.310 5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.966 -4.287 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.722 -2.525 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.651 -1.861 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.776 -0.993 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.333 -1.776 3.697 1.00 0.00 H new ATOM 490 N ILE A 36 -6.199 -3.589 1.363 1.00 0.00 N ATOM 491 CA ILE A 36 -5.044 -4.381 0.976 1.00 0.00 C ATOM 492 C ILE A 36 -4.038 -4.405 2.129 1.00 0.00 C ATOM 493 O ILE A 36 -3.495 -3.368 2.506 1.00 0.00 O ATOM 494 CB ILE A 36 -4.458 -3.865 -0.340 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.346 -4.251 -1.524 1.00 0.00 C ATOM 496 CG2 ILE A 36 -3.017 -4.347 -0.524 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.592 -3.050 -2.439 1.00 0.00 C ATOM 0 H ILE A 36 -6.183 -2.623 1.035 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.336 -5.414 0.786 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.431 -2.776 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.874 -5.054 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.298 -4.636 -1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.624 -3.967 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.403 -3.981 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.997 -5.437 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.226 -3.352 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.086 -2.258 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.640 -2.683 -2.822 1.00 0.00 H new ATOM 509 N LEU A 37 -3.822 -5.600 2.658 1.00 0.00 N ATOM 510 CA LEU A 37 -2.892 -5.774 3.761 1.00 0.00 C ATOM 511 C LEU A 37 -1.511 -6.128 3.206 1.00 0.00 C ATOM 512 O LEU A 37 -1.384 -7.022 2.371 1.00 0.00 O ATOM 513 CB LEU A 37 -3.433 -6.795 4.763 1.00 0.00 C ATOM 514 CG LEU A 37 -4.543 -6.300 5.692 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.068 -7.436 6.573 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.072 -5.103 6.520 1.00 0.00 C ATOM 0 H LEU A 37 -4.275 -6.458 2.343 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.783 -4.844 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.807 -7.655 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.604 -7.147 5.376 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.376 -5.958 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.856 -7.057 7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.468 -8.230 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.254 -7.831 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.880 -4.771 7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.214 -5.395 7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.786 -4.289 5.853 1.00 0.00 H new ATOM 528 N VAL A 38 -0.510 -5.409 3.693 1.00 0.00 N ATOM 529 CA VAL A 38 0.857 -5.636 3.257 1.00 0.00 C ATOM 530 C VAL A 38 1.721 -5.998 4.467 1.00 0.00 C ATOM 531 O VAL A 38 2.098 -5.125 5.248 1.00 0.00 O ATOM 532 CB VAL A 38 1.374 -4.413 2.497 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.792 -4.652 1.974 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.426 -4.034 1.358 1.00 0.00 C ATOM 0 H VAL A 38 -0.619 -4.668 4.386 1.00 0.00 H new ATOM 0 HA VAL A 38 0.902 -6.476 2.563 1.00 0.00 H new ATOM 0 HB VAL A 38 1.411 -3.576 3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.136 -3.768 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.460 -4.851 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.791 -5.508 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.817 -3.162 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.342 -4.868 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.558 -3.802 1.766 1.00 0.00 H new ATOM 544 N ASN A 39 2.009 -7.286 4.585 1.00 0.00 N ATOM 545 CA ASN A 39 2.821 -7.773 5.686 1.00 0.00 C ATOM 546 C ASN A 39 4.283 -7.391 5.445 1.00 0.00 C ATOM 547 O ASN A 39 4.881 -7.806 4.453 1.00 0.00 O ATOM 548 CB ASN A 39 2.743 -9.297 5.796 1.00 0.00 C ATOM 549 CG ASN A 39 3.496 -9.797 7.031 1.00 0.00 C ATOM 550 OD1 ASN A 39 3.726 -9.073 7.985 1.00 0.00 O ATOM 551 ND2 ASN A 39 3.865 -11.073 6.959 1.00 0.00 N ATOM 0 H ASN A 39 1.694 -8.007 3.936 1.00 0.00 H new ATOM 0 HA ASN A 39 2.445 -7.325 6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.700 -9.608 5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.165 -9.752 4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.373 -11.501 7.733 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.640 -11.623 6.130 1.00 0.00 H new ATOM 558 N MET A 40 4.816 -6.604 6.368 1.00 0.00 N ATOM 559 CA MET A 40 6.196 -6.162 6.268 1.00 0.00 C ATOM 560 C MET A 40 7.082 -6.893 7.279 1.00 0.00 C ATOM 561 O MET A 40 8.044 -6.325 7.792 1.00 0.00 O ATOM 562 CB MET A 40 6.269 -4.655 6.522 1.00 0.00 C ATOM 563 CG MET A 40 5.410 -3.887 5.515 1.00 0.00 C ATOM 564 SD MET A 40 6.277 -3.736 3.962 1.00 0.00 S ATOM 565 CE MET A 40 7.656 -2.725 4.475 1.00 0.00 C ATOM 0 H MET A 40 4.317 -6.261 7.189 1.00 0.00 H new ATOM 0 HA MET A 40 6.558 -6.389 5.265 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.931 -4.437 7.535 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.304 -4.321 6.452 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.463 -4.405 5.363 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.173 -2.898 5.906 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.594 -1.751 3.989 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.628 -2.594 5.557 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.589 -3.212 4.192 1.00 0.00 H new ATOM 575 N ALA A 41 6.724 -8.143 7.535 1.00 0.00 N ATOM 576 CA ALA A 41 7.474 -8.958 8.475 1.00 0.00 C ATOM 577 C ALA A 41 8.885 -9.188 7.932 1.00 0.00 C ATOM 578 O ALA A 41 9.772 -9.629 8.662 1.00 0.00 O ATOM 579 CB ALA A 41 6.725 -10.268 8.726 1.00 0.00 C ATOM 0 H ALA A 41 5.925 -8.611 7.108 1.00 0.00 H new ATOM 0 HA ALA A 41 7.569 -8.448 9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.288 -10.880 9.431 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.740 -10.051 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.613 -10.809 7.786 1.00 0.00 H new ATOM 585 N SER A 42 9.050 -8.880 6.654 1.00 0.00 N ATOM 586 CA SER A 42 10.339 -9.047 6.004 1.00 0.00 C ATOM 587 C SER A 42 11.075 -7.707 5.946 1.00 0.00 C ATOM 588 O SER A 42 12.277 -7.665 5.691 1.00 0.00 O ATOM 589 CB SER A 42 10.175 -9.624 4.596 1.00 0.00 C ATOM 590 OG SER A 42 10.317 -11.041 4.580 1.00 0.00 O ATOM 0 H SER A 42 8.312 -8.516 6.051 1.00 0.00 H new ATOM 0 HA SER A 42 10.928 -9.752 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.194 -9.354 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.916 -9.178 3.933 1.00 0.00 H new ATOM 0 HG SER A 42 10.204 -11.371 3.664 1.00 0.00 H new ATOM 596 N PHE A 43 10.321 -6.644 6.189 1.00 0.00 N ATOM 597 CA PHE A 43 10.887 -5.306 6.167 1.00 0.00 C ATOM 598 C PHE A 43 10.073 -4.353 7.046 1.00 0.00 C ATOM 599 O PHE A 43 9.405 -3.454 6.538 1.00 0.00 O ATOM 600 CB PHE A 43 10.830 -4.819 4.718 1.00 0.00 C ATOM 601 CG PHE A 43 11.687 -5.639 3.752 1.00 0.00 C ATOM 602 CD1 PHE A 43 11.261 -6.861 3.335 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.875 -5.146 3.311 1.00 0.00 C ATOM 604 CE1 PHE A 43 12.057 -7.622 2.438 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.671 -5.907 2.414 1.00 0.00 C ATOM 606 CZ PHE A 43 13.245 -7.129 1.996 1.00 0.00 C ATOM 0 H PHE A 43 9.324 -6.683 6.402 1.00 0.00 H new ATOM 0 HA PHE A 43 11.908 -5.327 6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.795 -4.842 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.154 -3.779 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.318 -7.253 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.213 -4.176 3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.719 -8.593 2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.615 -5.515 2.064 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.850 -7.708 1.313 1.00 0.00 H new ATOM 616 N PRO A 44 10.159 -4.589 8.382 1.00 0.00 N ATOM 617 CA PRO A 44 9.438 -3.762 9.336 1.00 0.00 C ATOM 618 C PRO A 44 10.113 -2.399 9.498 1.00 0.00 C ATOM 619 O PRO A 44 9.519 -1.469 10.043 1.00 0.00 O ATOM 620 CB PRO A 44 9.418 -4.572 10.622 1.00 0.00 C ATOM 621 CG PRO A 44 10.521 -5.609 10.479 1.00 0.00 C ATOM 622 CD PRO A 44 10.940 -5.645 9.019 1.00 0.00 C ATOM 0 HA PRO A 44 8.424 -3.531 9.011 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.592 -3.934 11.488 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.449 -5.050 10.768 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.370 -5.354 11.114 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.167 -6.589 10.799 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.010 -5.467 8.910 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.731 -6.617 8.571 1.00 0.00 H new ATOM 630 N GLU A 45 11.344 -2.322 9.016 1.00 0.00 N ATOM 631 CA GLU A 45 12.106 -1.087 9.101 1.00 0.00 C ATOM 632 C GLU A 45 11.833 -0.210 7.877 1.00 0.00 C ATOM 633 O GLU A 45 12.232 0.953 7.842 1.00 0.00 O ATOM 634 CB GLU A 45 13.601 -1.375 9.246 1.00 0.00 C ATOM 635 CG GLU A 45 14.214 -1.786 7.906 1.00 0.00 C ATOM 636 CD GLU A 45 15.096 -3.026 8.064 1.00 0.00 C ATOM 637 OE1 GLU A 45 14.624 -3.977 8.724 1.00 0.00 O ATOM 638 OE2 GLU A 45 16.221 -2.996 7.520 1.00 0.00 O ATOM 0 H GLU A 45 11.834 -3.095 8.565 1.00 0.00 H new ATOM 0 HA GLU A 45 11.786 -0.545 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.110 -0.489 9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.753 -2.169 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.421 -1.989 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.806 -0.963 7.505 1.00 0.00 H new ATOM 645 N CYS A 46 11.154 -0.800 6.905 1.00 0.00 N ATOM 646 CA CYS A 46 10.822 -0.087 5.683 1.00 0.00 C ATOM 647 C CYS A 46 9.303 0.079 5.621 1.00 0.00 C ATOM 648 O CYS A 46 8.756 0.438 4.579 1.00 0.00 O ATOM 649 CB CYS A 46 11.369 -0.801 4.446 1.00 0.00 C ATOM 650 SG CYS A 46 12.868 0.057 3.840 1.00 0.00 S ATOM 0 H CYS A 46 10.824 -1.765 6.939 1.00 0.00 H new ATOM 0 HA CYS A 46 11.293 0.896 5.693 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.606 -1.837 4.689 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.611 -0.823 3.663 1.00 0.00 H new ATOM 0 HG CYS A 46 13.326 -0.559 2.791 1.00 0.00 H new ATOM 656 N THR A 47 8.663 -0.190 6.750 1.00 0.00 N ATOM 657 CA THR A 47 7.217 -0.074 6.837 1.00 0.00 C ATOM 658 C THR A 47 6.764 1.312 6.375 1.00 0.00 C ATOM 659 O THR A 47 5.962 1.431 5.450 1.00 0.00 O ATOM 660 CB THR A 47 6.803 -0.402 8.273 1.00 0.00 C ATOM 661 OG1 THR A 47 7.288 -1.726 8.481 1.00 0.00 O ATOM 662 CG2 THR A 47 5.286 -0.532 8.429 1.00 0.00 C ATOM 0 H THR A 47 9.120 -0.488 7.612 1.00 0.00 H new ATOM 0 HA THR A 47 6.722 -0.781 6.171 1.00 0.00 H new ATOM 0 HB THR A 47 7.172 0.374 8.943 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.810 -2.135 9.232 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.046 -0.765 9.466 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.810 0.407 8.148 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.921 -1.331 7.784 1.00 0.00 H new ATOM 670 N ALA A 48 7.298 2.326 7.041 1.00 0.00 N ATOM 671 CA ALA A 48 6.958 3.700 6.710 1.00 0.00 C ATOM 672 C ALA A 48 7.292 3.963 5.240 1.00 0.00 C ATOM 673 O ALA A 48 6.457 4.470 4.492 1.00 0.00 O ATOM 674 CB ALA A 48 7.696 4.650 7.654 1.00 0.00 C ATOM 0 H ALA A 48 7.963 2.224 7.808 1.00 0.00 H new ATOM 0 HA ALA A 48 5.890 3.874 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.441 5.680 7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.403 4.441 8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.771 4.506 7.547 1.00 0.00 H new ATOM 680 N ALA A 49 8.513 3.606 4.870 1.00 0.00 N ATOM 681 CA ALA A 49 8.967 3.798 3.503 1.00 0.00 C ATOM 682 C ALA A 49 7.829 3.455 2.540 1.00 0.00 C ATOM 683 O ALA A 49 7.476 4.260 1.679 1.00 0.00 O ATOM 684 CB ALA A 49 10.215 2.948 3.256 1.00 0.00 C ATOM 0 H ALA A 49 9.202 3.185 5.493 1.00 0.00 H new ATOM 0 HA ALA A 49 9.242 4.839 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.556 3.092 2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.003 3.250 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.976 1.896 3.415 1.00 0.00 H new ATOM 690 N ALA A 50 7.286 2.260 2.717 1.00 0.00 N ATOM 691 CA ALA A 50 6.195 1.801 1.874 1.00 0.00 C ATOM 692 C ALA A 50 5.062 2.829 1.909 1.00 0.00 C ATOM 693 O ALA A 50 4.741 3.440 0.890 1.00 0.00 O ATOM 694 CB ALA A 50 5.740 0.415 2.336 1.00 0.00 C ATOM 0 H ALA A 50 7.581 1.595 3.432 1.00 0.00 H new ATOM 0 HA ALA A 50 6.523 1.707 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.922 0.071 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.573 -0.284 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.401 0.469 3.370 1.00 0.00 H new ATOM 700 N ILE A 51 4.487 2.988 3.092 1.00 0.00 N ATOM 701 CA ILE A 51 3.397 3.931 3.273 1.00 0.00 C ATOM 702 C ILE A 51 3.660 5.177 2.425 1.00 0.00 C ATOM 703 O ILE A 51 2.791 5.614 1.672 1.00 0.00 O ATOM 704 CB ILE A 51 3.189 4.231 4.759 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.420 3.100 5.444 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.509 5.587 4.955 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.172 2.593 6.677 1.00 0.00 C ATOM 0 H ILE A 51 4.756 2.480 3.934 1.00 0.00 H new ATOM 0 HA ILE A 51 2.459 3.500 2.924 1.00 0.00 H new ATOM 0 HB ILE A 51 4.168 4.290 5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.431 3.453 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.271 2.280 4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.373 5.775 6.020 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.131 6.372 4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.538 5.582 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.603 1.789 7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.151 2.218 6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.298 3.410 7.388 1.00 0.00 H new ATOM 719 N LYS A 52 4.861 5.714 2.577 1.00 0.00 N ATOM 720 CA LYS A 52 5.250 6.901 1.835 1.00 0.00 C ATOM 721 C LYS A 52 5.033 6.657 0.340 1.00 0.00 C ATOM 722 O LYS A 52 4.196 7.307 -0.284 1.00 0.00 O ATOM 723 CB LYS A 52 6.681 7.311 2.189 1.00 0.00 C ATOM 724 CG LYS A 52 6.714 8.713 2.802 1.00 0.00 C ATOM 725 CD LYS A 52 7.736 8.790 3.938 1.00 0.00 C ATOM 726 CE LYS A 52 7.140 9.485 5.164 1.00 0.00 C ATOM 727 NZ LYS A 52 8.025 9.314 6.338 1.00 0.00 N ATOM 0 H LYS A 52 5.578 5.349 3.204 1.00 0.00 H new ATOM 0 HA LYS A 52 4.622 7.747 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.106 6.593 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.302 7.287 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.964 9.444 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.725 8.972 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.062 7.785 4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.619 9.332 3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.002 10.546 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.155 9.072 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.606 9.792 7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.136 8.301 6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.956 9.729 6.134 1.00 0.00 H new ATOM 741 N ALA A 53 5.801 5.717 -0.191 1.00 0.00 N ATOM 742 CA ALA A 53 5.703 5.378 -1.601 1.00 0.00 C ATOM 743 C ALA A 53 4.259 5.569 -2.068 1.00 0.00 C ATOM 744 O ALA A 53 4.006 6.274 -3.044 1.00 0.00 O ATOM 745 CB ALA A 53 6.201 3.948 -1.818 1.00 0.00 C ATOM 0 H ALA A 53 6.494 5.179 0.330 1.00 0.00 H new ATOM 0 HA ALA A 53 6.333 6.037 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.128 3.694 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.240 3.872 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.591 3.258 -1.236 1.00 0.00 H new ATOM 751 N ILE A 54 3.348 4.930 -1.348 1.00 0.00 N ATOM 752 CA ILE A 54 1.936 5.021 -1.677 1.00 0.00 C ATOM 753 C ILE A 54 1.540 6.494 -1.806 1.00 0.00 C ATOM 754 O ILE A 54 1.083 6.927 -2.863 1.00 0.00 O ATOM 755 CB ILE A 54 1.097 4.247 -0.658 1.00 0.00 C ATOM 756 CG1 ILE A 54 1.400 2.748 -0.724 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.394 4.539 -0.839 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.880 2.225 0.631 1.00 0.00 C ATOM 0 H ILE A 54 3.561 4.347 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 54 1.739 4.551 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 54 1.372 4.588 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.506 2.206 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.162 2.560 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.967 3.976 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.575 5.605 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.703 4.244 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.088 1.158 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.788 2.752 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.106 2.392 1.380 1.00 0.00 H new ATOM 770 N ARG A 55 1.731 7.222 -0.716 1.00 0.00 N ATOM 771 CA ARG A 55 1.400 8.637 -0.694 1.00 0.00 C ATOM 772 C ARG A 55 2.232 9.393 -1.733 1.00 0.00 C ATOM 773 O ARG A 55 1.905 10.523 -2.092 1.00 0.00 O ATOM 774 CB ARG A 55 1.654 9.241 0.689 1.00 0.00 C ATOM 775 CG ARG A 55 0.527 8.880 1.659 1.00 0.00 C ATOM 776 CD ARG A 55 1.073 8.139 2.882 1.00 0.00 C ATOM 777 NE ARG A 55 1.974 9.027 3.650 1.00 0.00 N ATOM 778 CZ ARG A 55 1.552 9.984 4.487 1.00 0.00 C ATOM 779 NH1 ARG A 55 0.239 10.185 4.668 1.00 0.00 N ATOM 780 NH2 ARG A 55 2.442 10.742 5.142 1.00 0.00 N ATOM 0 H ARG A 55 2.111 6.859 0.158 1.00 0.00 H new ATOM 0 HA ARG A 55 0.340 8.733 -0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.605 8.878 1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.735 10.325 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.013 9.786 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.210 8.258 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.249 7.808 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.612 7.246 2.566 1.00 0.00 H new ATOM 0 HE ARG A 55 2.980 8.902 3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.439 9.609 4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.082 10.914 5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.441 10.590 5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.120 11.471 5.779 1.00 0.00 H new ATOM 794 N GLU A 56 3.291 8.738 -2.186 1.00 0.00 N ATOM 795 CA GLU A 56 4.171 9.334 -3.176 1.00 0.00 C ATOM 796 C GLU A 56 3.668 9.027 -4.588 1.00 0.00 C ATOM 797 O GLU A 56 3.792 9.855 -5.489 1.00 0.00 O ATOM 798 CB GLU A 56 5.611 8.851 -2.991 1.00 0.00 C ATOM 799 CG GLU A 56 6.247 9.484 -1.752 1.00 0.00 C ATOM 800 CD GLU A 56 7.716 9.830 -2.005 1.00 0.00 C ATOM 801 OE1 GLU A 56 7.948 10.799 -2.761 1.00 0.00 O ATOM 802 OE2 GLU A 56 8.572 9.119 -1.438 1.00 0.00 O ATOM 0 H GLU A 56 3.559 7.801 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 56 4.163 10.415 -3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.625 7.765 -2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.199 9.102 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.699 10.386 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.172 8.797 -0.909 1.00 0.00 H new ATOM 809 N SER A 57 3.109 7.835 -4.736 1.00 0.00 N ATOM 810 CA SER A 57 2.586 7.408 -6.023 1.00 0.00 C ATOM 811 C SER A 57 1.839 8.563 -6.693 1.00 0.00 C ATOM 812 O SER A 57 1.964 8.770 -7.899 1.00 0.00 O ATOM 813 CB SER A 57 1.662 6.198 -5.868 1.00 0.00 C ATOM 814 OG SER A 57 1.758 5.308 -6.978 1.00 0.00 O ATOM 0 H SER A 57 3.007 7.151 -3.986 1.00 0.00 H new ATOM 0 HA SER A 57 3.425 7.112 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.914 5.664 -4.952 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.632 6.539 -5.765 1.00 0.00 H new ATOM 0 HG SER A 57 0.930 5.346 -7.501 1.00 0.00 H new ATOM 820 N GLY A 58 1.080 9.285 -5.882 1.00 0.00 N ATOM 821 CA GLY A 58 0.314 10.414 -6.382 1.00 0.00 C ATOM 822 C GLY A 58 -1.184 10.101 -6.385 1.00 0.00 C ATOM 823 O GLY A 58 -1.884 10.411 -7.347 1.00 0.00 O ATOM 0 H GLY A 58 0.979 9.110 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.505 11.291 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.640 10.660 -7.393 1.00 0.00 H new ATOM 827 N MET A 59 -1.631 9.490 -5.298 1.00 0.00 N ATOM 828 CA MET A 59 -3.033 9.132 -5.163 1.00 0.00 C ATOM 829 C MET A 59 -3.603 9.635 -3.836 1.00 0.00 C ATOM 830 O MET A 59 -2.930 9.581 -2.807 1.00 0.00 O ATOM 831 CB MET A 59 -3.181 7.611 -5.239 1.00 0.00 C ATOM 832 CG MET A 59 -2.737 7.084 -6.605 1.00 0.00 C ATOM 833 SD MET A 59 -3.166 5.358 -6.762 1.00 0.00 S ATOM 834 CE MET A 59 -1.823 4.620 -5.846 1.00 0.00 C ATOM 0 H MET A 59 -1.047 9.234 -4.502 1.00 0.00 H new ATOM 0 HA MET A 59 -3.588 9.601 -5.975 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.585 7.145 -4.454 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.220 7.334 -5.058 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.214 7.659 -7.399 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.661 7.212 -6.721 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.214 3.839 -5.193 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.104 4.186 -6.541 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.330 5.384 -5.244 1.00 0.00 H new ATOM 844 N ASN A 60 -4.836 10.114 -3.901 1.00 0.00 N ATOM 845 CA ASN A 60 -5.504 10.626 -2.717 1.00 0.00 C ATOM 846 C ASN A 60 -5.940 9.455 -1.835 1.00 0.00 C ATOM 847 O ASN A 60 -7.122 9.310 -1.528 1.00 0.00 O ATOM 848 CB ASN A 60 -6.754 11.426 -3.092 1.00 0.00 C ATOM 849 CG ASN A 60 -6.404 12.582 -4.031 1.00 0.00 C ATOM 850 OD1 ASN A 60 -6.102 12.398 -5.199 1.00 0.00 O ATOM 851 ND2 ASN A 60 -6.460 13.781 -3.457 1.00 0.00 N ATOM 0 H ASN A 60 -5.390 10.158 -4.756 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.804 11.275 -2.190 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.480 10.770 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.225 11.816 -2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.243 14.617 -4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.720 13.864 -2.474 1.00 0.00 H new ATOM 858 N LEU A 61 -4.961 8.648 -1.451 1.00 0.00 N ATOM 859 CA LEU A 61 -5.228 7.494 -0.610 1.00 0.00 C ATOM 860 C LEU A 61 -4.663 7.746 0.789 1.00 0.00 C ATOM 861 O LEU A 61 -3.842 8.643 0.979 1.00 0.00 O ATOM 862 CB LEU A 61 -4.697 6.218 -1.267 1.00 0.00 C ATOM 863 CG LEU A 61 -5.357 5.820 -2.589 1.00 0.00 C ATOM 864 CD1 LEU A 61 -4.445 4.900 -3.403 1.00 0.00 C ATOM 865 CD2 LEU A 61 -6.733 5.195 -2.348 1.00 0.00 C ATOM 0 H LEU A 61 -3.981 8.771 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.302 7.345 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.628 6.340 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.814 5.394 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.512 6.724 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.938 4.632 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.510 5.415 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.236 3.996 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.181 4.921 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.625 4.304 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.375 5.914 -1.839 1.00 0.00 H new ATOM 877 N ASN A 62 -5.124 6.938 1.733 1.00 0.00 N ATOM 878 CA ASN A 62 -4.674 7.062 3.109 1.00 0.00 C ATOM 879 C ASN A 62 -4.212 5.695 3.615 1.00 0.00 C ATOM 880 O ASN A 62 -5.003 4.935 4.172 1.00 0.00 O ATOM 881 CB ASN A 62 -5.807 7.544 4.017 1.00 0.00 C ATOM 882 CG ASN A 62 -5.258 8.084 5.339 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.061 8.209 5.540 1.00 0.00 O ATOM 884 ND2 ASN A 62 -6.198 8.394 6.228 1.00 0.00 N ATOM 0 H ASN A 62 -5.804 6.195 1.572 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.859 7.786 3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.377 8.323 3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.495 6.722 4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.934 8.761 7.142 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.183 8.265 5.995 1.00 0.00 H new ATOM 891 N PRO A 63 -2.899 5.415 3.399 1.00 0.00 N ATOM 892 CA PRO A 63 -2.321 4.152 3.826 1.00 0.00 C ATOM 893 C PRO A 63 -2.112 4.131 5.342 1.00 0.00 C ATOM 894 O PRO A 63 -1.653 5.113 5.923 1.00 0.00 O ATOM 895 CB PRO A 63 -1.024 4.028 3.045 1.00 0.00 C ATOM 896 CG PRO A 63 -0.692 5.431 2.562 1.00 0.00 C ATOM 897 CD PRO A 63 -1.932 6.291 2.743 1.00 0.00 C ATOM 0 HA PRO A 63 -2.972 3.301 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.226 3.632 3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.138 3.343 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.144 5.842 3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.389 5.413 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.719 7.170 3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.309 6.649 1.785 1.00 0.00 H new ATOM 905 N GLU A 64 -2.458 3.000 5.939 1.00 0.00 N ATOM 906 CA GLU A 64 -2.314 2.838 7.376 1.00 0.00 C ATOM 907 C GLU A 64 -1.099 1.962 7.692 1.00 0.00 C ATOM 908 O GLU A 64 -0.424 1.481 6.783 1.00 0.00 O ATOM 909 CB GLU A 64 -3.586 2.254 7.992 1.00 0.00 C ATOM 910 CG GLU A 64 -4.306 3.294 8.854 1.00 0.00 C ATOM 911 CD GLU A 64 -5.809 3.295 8.570 1.00 0.00 C ATOM 912 OE1 GLU A 64 -6.180 3.787 7.482 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.553 2.805 9.447 1.00 0.00 O ATOM 0 H GLU A 64 -2.838 2.187 5.454 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.154 3.821 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.252 1.908 7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.334 1.385 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.132 3.081 9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.894 4.284 8.656 1.00 0.00 H new ATOM 920 N VAL A 65 -0.859 1.783 8.982 1.00 0.00 N ATOM 921 CA VAL A 65 0.262 0.974 9.429 1.00 0.00 C ATOM 922 C VAL A 65 -0.072 0.352 10.787 1.00 0.00 C ATOM 923 O VAL A 65 -0.275 1.067 11.767 1.00 0.00 O ATOM 924 CB VAL A 65 1.539 1.817 9.455 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.654 2.596 10.767 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.776 0.947 9.224 1.00 0.00 C ATOM 0 H VAL A 65 -1.422 2.184 9.732 1.00 0.00 H new ATOM 0 HA VAL A 65 0.443 0.155 8.733 1.00 0.00 H new ATOM 0 HB VAL A 65 1.481 2.539 8.640 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.570 3.187 10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.795 3.259 10.873 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.679 1.898 11.604 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.669 1.571 9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.841 0.191 10.007 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.701 0.458 8.253 1.00 0.00 H new ATOM 936 N GLU A 66 -0.118 -0.972 10.800 1.00 0.00 N ATOM 937 CA GLU A 66 -0.424 -1.697 12.021 1.00 0.00 C ATOM 938 C GLU A 66 0.650 -2.752 12.296 1.00 0.00 C ATOM 939 O GLU A 66 0.684 -3.793 11.642 1.00 0.00 O ATOM 940 CB GLU A 66 -1.813 -2.336 11.947 1.00 0.00 C ATOM 941 CG GLU A 66 -2.896 -1.343 12.372 1.00 0.00 C ATOM 942 CD GLU A 66 -4.270 -2.017 12.418 1.00 0.00 C ATOM 943 OE1 GLU A 66 -4.866 -2.163 11.329 1.00 0.00 O ATOM 944 OE2 GLU A 66 -4.692 -2.369 13.540 1.00 0.00 O ATOM 0 H GLU A 66 0.051 -1.561 9.985 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.430 -0.988 12.849 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.006 -2.678 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.848 -3.215 12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.655 -0.934 13.353 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.921 -0.506 11.675 1.00 0.00 H new ATOM 951 N GLY A 67 1.501 -2.445 13.263 1.00 0.00 N ATOM 952 CA GLY A 67 2.574 -3.353 13.632 1.00 0.00 C ATOM 953 C GLY A 67 3.520 -3.592 12.454 1.00 0.00 C ATOM 954 O GLY A 67 4.563 -2.948 12.349 1.00 0.00 O ATOM 0 H GLY A 67 1.470 -1.580 13.803 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.132 -2.940 14.473 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.154 -4.302 13.964 1.00 0.00 H new ATOM 958 N THR A 68 3.122 -4.519 11.595 1.00 0.00 N ATOM 959 CA THR A 68 3.921 -4.851 10.428 1.00 0.00 C ATOM 960 C THR A 68 3.024 -5.030 9.201 1.00 0.00 C ATOM 961 O THR A 68 3.474 -5.517 8.165 1.00 0.00 O ATOM 962 CB THR A 68 4.751 -6.093 10.761 1.00 0.00 C ATOM 963 OG1 THR A 68 3.908 -6.853 11.623 1.00 0.00 O ATOM 964 CG2 THR A 68 5.971 -5.768 11.624 1.00 0.00 C ATOM 0 H THR A 68 2.256 -5.051 11.684 1.00 0.00 H new ATOM 0 HA THR A 68 4.607 -4.043 10.175 1.00 0.00 H new ATOM 0 HB THR A 68 5.077 -6.570 9.837 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.368 -7.678 11.886 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.525 -6.684 11.831 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.615 -5.066 11.094 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.644 -5.322 12.563 1.00 0.00 H new ATOM 972 N LEU A 69 1.772 -4.627 9.359 1.00 0.00 N ATOM 973 CA LEU A 69 0.808 -4.737 8.278 1.00 0.00 C ATOM 974 C LEU A 69 0.308 -3.341 7.902 1.00 0.00 C ATOM 975 O LEU A 69 -0.067 -2.557 8.773 1.00 0.00 O ATOM 976 CB LEU A 69 -0.311 -5.710 8.653 1.00 0.00 C ATOM 977 CG LEU A 69 -0.171 -7.135 8.112 1.00 0.00 C ATOM 978 CD1 LEU A 69 0.716 -7.983 9.025 1.00 0.00 C ATOM 979 CD2 LEU A 69 -1.543 -7.774 7.890 1.00 0.00 C ATOM 0 H LEU A 69 1.403 -4.224 10.220 1.00 0.00 H new ATOM 0 HA LEU A 69 1.280 -5.158 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.373 -5.760 9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.256 -5.299 8.298 1.00 0.00 H new ATOM 0 HG LEU A 69 0.322 -7.085 7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.799 -8.991 8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.707 -7.534 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.275 -8.029 10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.415 -8.786 7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.084 -7.811 8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.108 -7.181 7.171 1.00 0.00 H new ATOM 991 N ILE A 70 0.319 -3.072 6.605 1.00 0.00 N ATOM 992 CA ILE A 70 -0.128 -1.784 6.103 1.00 0.00 C ATOM 993 C ILE A 70 -1.568 -1.909 5.601 1.00 0.00 C ATOM 994 O ILE A 70 -1.887 -2.824 4.843 1.00 0.00 O ATOM 995 CB ILE A 70 0.846 -1.251 5.051 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.264 -1.151 5.616 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.361 0.084 4.481 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.255 -0.713 4.537 1.00 0.00 C ATOM 0 H ILE A 70 0.631 -3.725 5.886 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.132 -1.044 6.903 1.00 0.00 H new ATOM 0 HB ILE A 70 0.878 -1.962 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.281 -0.439 6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.566 -2.116 6.022 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.072 0.441 3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.615 -0.052 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.281 0.815 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.255 -0.650 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.253 -1.440 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.964 0.264 4.150 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.399 -0.977 6.045 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.797 -0.972 5.650 1.00 0.00 C ATOM 1012 C ARG A 71 -4.032 0.055 4.540 1.00 0.00 C ATOM 1013 O ARG A 71 -3.660 1.219 4.678 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.704 -0.645 6.838 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.530 -1.865 7.250 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.558 -1.495 8.321 1.00 0.00 C ATOM 1017 NE ARG A 71 -7.928 -1.650 7.782 1.00 0.00 N ATOM 1018 CZ ARG A 71 -9.017 -1.835 8.541 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -8.903 -1.889 9.875 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -10.220 -1.967 7.966 1.00 0.00 N ATOM 0 H ARG A 71 -2.131 -0.220 6.674 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.041 -1.969 5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.099 -0.310 7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.370 0.178 6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.040 -2.275 6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.869 -2.645 7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.429 -2.131 9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.401 -0.467 8.648 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.051 -1.614 6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.987 -1.789 10.313 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.732 -2.030 10.452 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.307 -1.927 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.049 -2.108 8.544 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.647 -0.414 3.464 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.936 0.449 2.332 1.00 0.00 C ATOM 1036 C VAL A 72 -6.397 0.267 1.916 1.00 0.00 C ATOM 1037 O VAL A 72 -6.727 -0.670 1.190 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.951 0.167 1.195 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.632 0.309 -0.168 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.725 1.078 1.294 1.00 0.00 C ATOM 0 H VAL A 72 -4.953 -1.381 3.353 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.805 1.496 2.607 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.611 -0.864 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.910 0.103 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.458 -0.399 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.014 1.324 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.041 0.857 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.040 2.120 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.220 0.906 2.245 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.255 1.201 2.406 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.673 1.152 2.092 1.00 0.00 C ATOM 1052 C PRO A 73 -8.934 1.614 0.657 1.00 0.00 C ATOM 1053 O PRO A 73 -8.425 2.651 0.233 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.336 2.040 3.132 1.00 0.00 C ATOM 1055 CG PRO A 73 -8.231 2.918 3.697 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.899 2.325 3.267 1.00 0.00 C ATOM 0 HA PRO A 73 -9.078 0.141 2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.124 2.645 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.800 1.443 3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.330 3.940 3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.296 2.962 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.294 3.057 2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.316 1.996 4.127 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.726 0.823 -0.051 1.00 0.00 N ATOM 1065 CA ILE A 74 -10.061 1.138 -1.429 1.00 0.00 C ATOM 1066 C ILE A 74 -11.101 2.260 -1.453 1.00 0.00 C ATOM 1067 O ILE A 74 -12.025 2.273 -0.641 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.499 -0.123 -2.176 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -9.475 -1.247 -2.003 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.774 0.180 -3.650 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -8.425 -1.207 -3.114 1.00 0.00 C ATOM 0 H ILE A 74 -10.146 -0.036 0.304 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.183 1.506 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.435 -0.470 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.987 -1.153 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.983 -2.211 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.084 -0.734 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.567 0.924 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.868 0.566 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.709 -2.016 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.914 -1.325 -4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.902 -0.251 -3.086 1.00 0.00 H new ATOM 1083 N PRO A 75 -10.912 3.199 -2.418 1.00 0.00 N ATOM 1084 CA PRO A 75 -11.822 4.322 -2.559 1.00 0.00 C ATOM 1085 C PRO A 75 -13.141 3.882 -3.198 1.00 0.00 C ATOM 1086 O PRO A 75 -13.267 3.865 -4.421 1.00 0.00 O ATOM 1087 CB PRO A 75 -11.066 5.339 -3.398 1.00 0.00 C ATOM 1088 CG PRO A 75 -9.951 4.567 -4.084 1.00 0.00 C ATOM 1089 CD PRO A 75 -9.829 3.217 -3.398 1.00 0.00 C ATOM 0 HA PRO A 75 -12.110 4.752 -1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.724 5.808 -4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.662 6.137 -2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.172 4.438 -5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.011 5.115 -4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.928 2.400 -4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.858 3.104 -2.917 1.00 0.00 H new