USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 623 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 27 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 50 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.2!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -151:sc= -0.153 (180deg=-0.241) USER MOD Set 2.2: A 30 GLN : amide:sc= 0 X(o=-0.15,f=-0.24) USER MOD Set 3.1: A 14 ASN : amide:sc= -0.0188 K(o=-1.4,f=-2.5) USER MOD Set 3.2: A 16 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.1) USER MOD Single : A 18 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.69) USER MOD Single : A 24 GLN : amide:sc= -0.0905 X(o=-0.09,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.355 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -105:sc= -1.57 (180deg=-5.87!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 79:sc= 1.17 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.0148 K(o=0.015,f=-2.9!) USER MOD Single : A 64 GLN : amide:sc= -0.0523 X(o=-0.052,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.0156 X(o=0.016,f=0) USER MOD Single : A 88 GLN : amide:sc=-0.00985 X(o=-0.0098,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -20.432 -6.285 1.347 1.00 0.00 N ATOM 2 CA ASN A 14 -19.708 -5.200 2.068 1.00 0.00 C ATOM 3 C ASN A 14 -18.918 -4.329 1.095 1.00 0.00 C ATOM 4 O ASN A 14 -18.384 -4.824 0.101 1.00 0.00 O ATOM 5 CB ASN A 14 -18.768 -5.830 3.104 1.00 0.00 C ATOM 6 CG ASN A 14 -18.950 -5.236 4.490 1.00 0.00 C ATOM 7 OD1 ASN A 14 -19.004 -4.018 4.652 1.00 0.00 O ATOM 8 ND2 ASN A 14 -19.043 -6.096 5.501 1.00 0.00 N ATOM 0 HA ASN A 14 -20.434 -4.560 2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.947 -6.904 3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -17.735 -5.691 2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -19.164 -5.752 6.454 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -18.993 -7.099 5.323 1.00 0.00 H new ATOM 17 N ASP A 15 -18.856 -3.030 1.383 1.00 0.00 N ATOM 18 CA ASP A 15 -18.142 -2.084 0.527 1.00 0.00 C ATOM 19 C ASP A 15 -16.700 -1.879 0.996 1.00 0.00 C ATOM 20 O ASP A 15 -16.363 -0.833 1.554 1.00 0.00 O ATOM 21 CB ASP A 15 -18.880 -0.740 0.500 1.00 0.00 C ATOM 22 CG ASP A 15 -19.992 -0.695 -0.535 1.00 0.00 C ATOM 23 OD1 ASP A 15 -19.886 -1.398 -1.563 1.00 0.00 O ATOM 24 OD2 ASP A 15 -20.972 0.047 -0.315 1.00 0.00 O ATOM 0 H ASP A 15 -19.292 -2.608 2.203 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.111 -2.502 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.300 -0.543 1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.166 0.057 0.293 1.00 0.00 H new ATOM 29 N HIS A 16 -15.847 -2.878 0.757 1.00 0.00 N ATOM 30 CA HIS A 16 -14.440 -2.793 1.149 1.00 0.00 C ATOM 31 C HIS A 16 -13.560 -3.607 0.203 1.00 0.00 C ATOM 32 O HIS A 16 -13.842 -4.776 -0.069 1.00 0.00 O ATOM 33 CB HIS A 16 -14.240 -3.287 2.586 1.00 0.00 C ATOM 34 CG HIS A 16 -15.016 -2.520 3.613 1.00 0.00 C ATOM 35 ND1 HIS A 16 -16.324 -2.810 3.941 1.00 0.00 N ATOM 36 CD2 HIS A 16 -14.654 -1.482 4.404 1.00 0.00 C ATOM 37 CE1 HIS A 16 -16.732 -1.986 4.889 1.00 0.00 C ATOM 38 NE2 HIS A 16 -15.739 -1.170 5.186 1.00 0.00 N ATOM 0 H HIS A 16 -16.105 -3.751 0.296 1.00 0.00 H new ATOM 0 HA HIS A 16 -14.147 -1.745 1.091 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.526 -4.337 2.640 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.180 -3.233 2.833 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.692 -0.991 4.417 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.712 -1.981 5.344 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.772 -0.427 5.884 1.00 0.00 H new ATOM 47 N ILE A 17 -12.488 -2.983 -0.288 1.00 0.00 N ATOM 48 CA ILE A 17 -11.560 -3.650 -1.196 1.00 0.00 C ATOM 49 C ILE A 17 -10.491 -4.414 -0.412 1.00 0.00 C ATOM 50 O ILE A 17 -9.830 -3.858 0.468 1.00 0.00 O ATOM 51 CB ILE A 17 -10.889 -2.651 -2.176 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.804 -1.824 -1.475 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.934 -1.730 -2.790 1.00 0.00 C ATOM 54 CD1 ILE A 17 -9.220 -0.724 -2.337 1.00 0.00 C ATOM 0 H ILE A 17 -12.243 -2.017 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.142 -4.357 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.413 -3.230 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.225 -1.381 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.001 -2.490 -1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.449 -1.035 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.667 -2.324 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.435 -1.171 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.460 -0.184 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.768 -1.161 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.011 -0.035 -2.632 1.00 0.00 H new ATOM 66 N ASN A 18 -10.340 -5.695 -0.732 1.00 0.00 N ATOM 67 CA ASN A 18 -9.365 -6.550 -0.058 1.00 0.00 C ATOM 68 C ASN A 18 -7.961 -6.356 -0.637 1.00 0.00 C ATOM 69 O ASN A 18 -7.595 -6.986 -1.632 1.00 0.00 O ATOM 70 CB ASN A 18 -9.787 -8.020 -0.177 1.00 0.00 C ATOM 71 CG ASN A 18 -9.782 -8.737 1.161 1.00 0.00 C ATOM 72 OD1 ASN A 18 -8.926 -8.485 2.011 1.00 0.00 O ATOM 73 ND2 ASN A 18 -10.736 -9.641 1.354 1.00 0.00 N ATOM 0 H ASN A 18 -10.882 -6.167 -1.456 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.336 -6.267 0.994 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.786 -8.074 -0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.113 -8.533 -0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.779 -10.157 2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.425 -9.819 0.624 1.00 0.00 H new ATOM 80 N LEU A 19 -7.179 -5.479 -0.007 1.00 0.00 N ATOM 81 CA LEU A 19 -5.817 -5.201 -0.460 1.00 0.00 C ATOM 82 C LEU A 19 -4.802 -6.087 0.263 1.00 0.00 C ATOM 83 O LEU A 19 -4.830 -6.207 1.490 1.00 0.00 O ATOM 84 CB LEU A 19 -5.470 -3.726 -0.235 1.00 0.00 C ATOM 85 CG LEU A 19 -4.769 -3.035 -1.409 1.00 0.00 C ATOM 86 CD1 LEU A 19 -5.283 -1.614 -1.577 1.00 0.00 C ATOM 87 CD2 LEU A 19 -3.259 -3.040 -1.210 1.00 0.00 C ATOM 0 H LEU A 19 -7.465 -4.950 0.817 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.770 -5.423 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.388 -3.183 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.831 -3.650 0.645 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.996 -3.591 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.773 -1.140 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.356 -1.635 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.089 -1.047 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.779 -2.545 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.011 -2.510 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.904 -4.068 -1.143 1.00 0.00 H new ATOM 99 N LYS A 20 -3.903 -6.697 -0.509 1.00 0.00 N ATOM 100 CA LYS A 20 -2.867 -7.566 0.044 1.00 0.00 C ATOM 101 C LYS A 20 -1.484 -6.948 -0.162 1.00 0.00 C ATOM 102 O LYS A 20 -0.952 -6.957 -1.274 1.00 0.00 O ATOM 103 CB LYS A 20 -2.923 -8.950 -0.614 1.00 0.00 C ATOM 104 CG LYS A 20 -3.879 -9.917 0.068 1.00 0.00 C ATOM 105 CD LYS A 20 -5.139 -10.128 -0.757 1.00 0.00 C ATOM 106 CE LYS A 20 -6.083 -11.120 -0.093 1.00 0.00 C ATOM 107 NZ LYS A 20 -7.198 -10.439 0.622 1.00 0.00 N ATOM 0 H LYS A 20 -3.872 -6.604 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.047 -7.676 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.220 -8.834 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.922 -9.383 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.381 -10.874 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.147 -9.532 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.649 -9.175 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.869 -10.490 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.493 -11.791 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.524 -11.736 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.509 -11.028 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.871 -9.518 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.994 -10.296 -0.032 1.00 0.00 H new ATOM 121 N VAL A 21 -0.910 -6.407 0.914 1.00 0.00 N ATOM 122 CA VAL A 21 0.410 -5.779 0.846 1.00 0.00 C ATOM 123 C VAL A 21 1.522 -6.804 1.073 1.00 0.00 C ATOM 124 O VAL A 21 1.499 -7.552 2.053 1.00 0.00 O ATOM 125 CB VAL A 21 0.552 -4.640 1.883 1.00 0.00 C ATOM 126 CG1 VAL A 21 1.876 -3.908 1.706 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.617 -3.668 1.783 1.00 0.00 C ATOM 0 H VAL A 21 -1.337 -6.391 1.840 1.00 0.00 H new ATOM 0 HA VAL A 21 0.506 -5.359 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 21 0.540 -5.086 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.953 -3.112 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.700 -4.609 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.924 -3.479 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.496 -2.876 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.643 -3.232 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.550 -4.200 1.971 1.00 0.00 H new ATOM 137 N ALA A 22 2.495 -6.829 0.160 1.00 0.00 N ATOM 138 CA ALA A 22 3.620 -7.756 0.254 1.00 0.00 C ATOM 139 C ALA A 22 4.954 -7.017 0.159 1.00 0.00 C ATOM 140 O ALA A 22 5.065 -6.005 -0.535 1.00 0.00 O ATOM 141 CB ALA A 22 3.519 -8.817 -0.834 1.00 0.00 C ATOM 0 H ALA A 22 2.525 -6.215 -0.654 1.00 0.00 H new ATOM 0 HA ALA A 22 3.578 -8.244 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.363 -9.502 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.588 -9.372 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.533 -8.337 -1.813 1.00 0.00 H new ATOM 147 N GLY A 23 5.963 -7.533 0.862 1.00 0.00 N ATOM 148 CA GLY A 23 7.281 -6.917 0.850 1.00 0.00 C ATOM 149 C GLY A 23 8.301 -7.739 0.086 1.00 0.00 C ATOM 150 O GLY A 23 8.123 -8.944 -0.102 1.00 0.00 O ATOM 0 H GLY A 23 5.890 -8.369 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.211 -5.925 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.624 -6.781 1.876 1.00 0.00 H new ATOM 154 N GLN A 24 9.376 -7.085 -0.352 1.00 0.00 N ATOM 155 CA GLN A 24 10.439 -7.754 -1.102 1.00 0.00 C ATOM 156 C GLN A 24 11.137 -8.817 -0.254 1.00 0.00 C ATOM 157 O GLN A 24 11.371 -9.934 -0.717 1.00 0.00 O ATOM 158 CB GLN A 24 11.462 -6.727 -1.594 1.00 0.00 C ATOM 159 CG GLN A 24 12.421 -7.269 -2.643 1.00 0.00 C ATOM 160 CD GLN A 24 13.783 -6.596 -2.603 1.00 0.00 C ATOM 161 OE1 GLN A 24 14.815 -7.256 -2.719 1.00 0.00 O ATOM 162 NE2 GLN A 24 13.796 -5.275 -2.435 1.00 0.00 N ATOM 0 H GLN A 24 9.534 -6.089 -0.200 1.00 0.00 H new ATOM 0 HA GLN A 24 9.982 -8.251 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.932 -5.870 -2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.037 -6.364 -0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.547 -8.341 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.984 -7.134 -3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.918 -4.764 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.684 -4.774 -2.399 1.00 0.00 H new ATOM 171 N ASP A 25 11.464 -8.461 0.989 1.00 0.00 N ATOM 172 CA ASP A 25 12.135 -9.383 1.908 1.00 0.00 C ATOM 173 C ASP A 25 11.289 -10.637 2.155 1.00 0.00 C ATOM 174 O ASP A 25 11.826 -11.709 2.442 1.00 0.00 O ATOM 175 CB ASP A 25 12.428 -8.685 3.244 1.00 0.00 C ATOM 176 CG ASP A 25 13.480 -7.597 3.122 1.00 0.00 C ATOM 177 OD1 ASP A 25 13.270 -6.649 2.334 1.00 0.00 O ATOM 178 OD2 ASP A 25 14.511 -7.689 3.820 1.00 0.00 O ATOM 0 H ASP A 25 11.275 -7.540 1.383 1.00 0.00 H new ATOM 0 HA ASP A 25 13.074 -9.688 1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.506 -8.251 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.761 -9.426 3.970 1.00 0.00 H new ATOM 183 N GLY A 26 9.965 -10.491 2.045 1.00 0.00 N ATOM 184 CA GLY A 26 9.060 -11.609 2.262 1.00 0.00 C ATOM 185 C GLY A 26 7.980 -11.289 3.281 1.00 0.00 C ATOM 186 O GLY A 26 7.766 -12.048 4.227 1.00 0.00 O ATOM 0 H GLY A 26 9.504 -9.612 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.593 -11.884 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.630 -12.474 2.600 1.00 0.00 H new ATOM 190 N SER A 27 7.303 -10.157 3.085 1.00 0.00 N ATOM 191 CA SER A 27 6.242 -9.725 3.992 1.00 0.00 C ATOM 192 C SER A 27 4.866 -10.086 3.440 1.00 0.00 C ATOM 193 O SER A 27 4.678 -10.172 2.224 1.00 0.00 O ATOM 194 CB SER A 27 6.328 -8.215 4.224 1.00 0.00 C ATOM 195 OG SER A 27 7.144 -7.917 5.343 1.00 0.00 O ATOM 0 H SER A 27 7.472 -9.522 2.304 1.00 0.00 H new ATOM 0 HA SER A 27 6.378 -10.244 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.732 -7.730 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.328 -7.810 4.381 1.00 0.00 H new ATOM 0 HG SER A 27 7.184 -6.946 5.469 1.00 0.00 H new ATOM 201 N VAL A 28 3.906 -10.294 4.342 1.00 0.00 N ATOM 202 CA VAL A 28 2.544 -10.645 3.948 1.00 0.00 C ATOM 203 C VAL A 28 1.523 -10.174 4.989 1.00 0.00 C ATOM 204 O VAL A 28 1.478 -10.690 6.109 1.00 0.00 O ATOM 205 CB VAL A 28 2.398 -12.170 3.726 1.00 0.00 C ATOM 206 CG1 VAL A 28 2.731 -12.948 4.995 1.00 0.00 C ATOM 207 CG2 VAL A 28 0.997 -12.508 3.233 1.00 0.00 C ATOM 0 H VAL A 28 4.048 -10.225 5.350 1.00 0.00 H new ATOM 0 HA VAL A 28 2.343 -10.134 3.006 1.00 0.00 H new ATOM 0 HB VAL A 28 3.113 -12.468 2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.619 -14.016 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.758 -12.737 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.054 -12.647 5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.914 -13.584 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.264 -12.187 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.809 -11.995 2.290 1.00 0.00 H new ATOM 217 N VAL A 29 0.706 -9.187 4.612 1.00 0.00 N ATOM 218 CA VAL A 29 -0.315 -8.644 5.510 1.00 0.00 C ATOM 219 C VAL A 29 -1.640 -8.419 4.778 1.00 0.00 C ATOM 220 O VAL A 29 -1.666 -8.262 3.555 1.00 0.00 O ATOM 221 CB VAL A 29 0.135 -7.308 6.138 1.00 0.00 C ATOM 222 CG1 VAL A 29 1.248 -7.531 7.152 1.00 0.00 C ATOM 223 CG2 VAL A 29 0.572 -6.329 5.058 1.00 0.00 C ATOM 0 H VAL A 29 0.732 -8.748 3.692 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.457 -9.383 6.298 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.716 -6.876 6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.547 -6.574 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.891 -8.188 7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.104 -7.991 6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.886 -5.393 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.405 -6.754 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.261 -6.138 4.381 1.00 0.00 H new ATOM 233 N GLN A 30 -2.737 -8.394 5.539 1.00 0.00 N ATOM 234 CA GLN A 30 -4.067 -8.179 4.969 1.00 0.00 C ATOM 235 C GLN A 30 -4.789 -7.039 5.686 1.00 0.00 C ATOM 236 O GLN A 30 -4.884 -7.029 6.915 1.00 0.00 O ATOM 237 CB GLN A 30 -4.902 -9.460 5.060 1.00 0.00 C ATOM 238 CG GLN A 30 -6.103 -9.475 4.125 1.00 0.00 C ATOM 239 CD GLN A 30 -6.729 -10.852 3.997 1.00 0.00 C ATOM 240 OE1 GLN A 30 -6.179 -11.736 3.341 1.00 0.00 O ATOM 241 NE2 GLN A 30 -7.888 -11.040 4.620 1.00 0.00 N ATOM 0 H GLN A 30 -2.729 -8.520 6.551 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.943 -7.908 3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.265 -10.315 4.833 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.250 -9.585 6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.852 -8.773 4.491 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.795 -9.127 3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.309 -10.280 5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.356 -11.945 4.565 1.00 0.00 H new ATOM 250 N PHE A 31 -5.299 -6.082 4.909 1.00 0.00 N ATOM 251 CA PHE A 31 -6.016 -4.937 5.465 1.00 0.00 C ATOM 252 C PHE A 31 -7.264 -4.618 4.642 1.00 0.00 C ATOM 253 O PHE A 31 -7.311 -4.879 3.438 1.00 0.00 O ATOM 254 CB PHE A 31 -5.099 -3.709 5.520 1.00 0.00 C ATOM 255 CG PHE A 31 -4.080 -3.760 6.628 1.00 0.00 C ATOM 256 CD1 PHE A 31 -4.478 -3.816 7.955 1.00 0.00 C ATOM 257 CD2 PHE A 31 -2.723 -3.753 6.340 1.00 0.00 C ATOM 258 CE1 PHE A 31 -3.543 -3.864 8.973 1.00 0.00 C ATOM 259 CE2 PHE A 31 -1.784 -3.800 7.354 1.00 0.00 C ATOM 260 CZ PHE A 31 -2.195 -3.856 8.672 1.00 0.00 C ATOM 0 H PHE A 31 -5.228 -6.079 3.891 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.328 -5.196 6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.580 -3.612 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.711 -2.815 5.643 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.531 -3.822 8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.396 -3.710 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.867 -3.908 10.002 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.731 -3.793 7.116 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.463 -3.893 9.466 1.00 0.00 H new ATOM 270 N LYS A 32 -8.274 -4.048 5.302 1.00 0.00 N ATOM 271 CA LYS A 32 -9.526 -3.686 4.639 1.00 0.00 C ATOM 272 C LYS A 32 -9.598 -2.177 4.407 1.00 0.00 C ATOM 273 O LYS A 32 -9.455 -1.388 5.344 1.00 0.00 O ATOM 274 CB LYS A 32 -10.723 -4.149 5.476 1.00 0.00 C ATOM 275 CG LYS A 32 -11.984 -4.394 4.660 1.00 0.00 C ATOM 276 CD LYS A 32 -12.559 -5.780 4.917 1.00 0.00 C ATOM 277 CE LYS A 32 -14.068 -5.734 5.114 1.00 0.00 C ATOM 278 NZ LYS A 32 -14.751 -6.892 4.473 1.00 0.00 N ATOM 0 H LYS A 32 -8.248 -3.827 6.297 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.558 -4.186 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.456 -5.067 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.934 -3.398 6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.730 -3.639 4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.758 -4.284 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.321 -6.434 4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.089 -6.211 5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.294 -5.725 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.460 -4.806 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.776 -6.821 4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.557 -6.887 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.397 -7.777 4.888 1.00 0.00 H new ATOM 292 N ILE A 33 -9.816 -1.786 3.152 1.00 0.00 N ATOM 293 CA ILE A 33 -9.902 -0.373 2.786 1.00 0.00 C ATOM 294 C ILE A 33 -11.064 -0.121 1.820 1.00 0.00 C ATOM 295 O ILE A 33 -11.465 -1.014 1.077 1.00 0.00 O ATOM 296 CB ILE A 33 -8.575 0.113 2.148 1.00 0.00 C ATOM 297 CG1 ILE A 33 -8.625 1.615 1.848 1.00 0.00 C ATOM 298 CG2 ILE A 33 -8.261 -0.672 0.882 1.00 0.00 C ATOM 299 CD1 ILE A 33 -8.768 2.479 3.083 1.00 0.00 C ATOM 0 H ILE A 33 -9.937 -2.430 2.370 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.082 0.191 3.701 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.777 -0.064 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.716 1.901 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.461 1.815 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.326 -0.312 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.166 -1.730 1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.067 -0.536 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.796 3.529 2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.691 2.222 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.920 2.309 3.746 1.00 0.00 H new ATOM 311 N LYS A 34 -11.599 1.099 1.837 1.00 0.00 N ATOM 312 CA LYS A 34 -12.709 1.464 0.956 1.00 0.00 C ATOM 313 C LYS A 34 -12.189 2.068 -0.349 1.00 0.00 C ATOM 314 O LYS A 34 -11.144 2.723 -0.362 1.00 0.00 O ATOM 315 CB LYS A 34 -13.656 2.450 1.657 1.00 0.00 C ATOM 316 CG LYS A 34 -13.061 3.834 1.900 1.00 0.00 C ATOM 317 CD LYS A 34 -12.284 3.893 3.208 1.00 0.00 C ATOM 318 CE LYS A 34 -12.414 5.251 3.884 1.00 0.00 C ATOM 319 NZ LYS A 34 -12.800 5.124 5.317 1.00 0.00 N ATOM 0 H LYS A 34 -11.283 1.851 2.450 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.265 0.557 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.559 2.557 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.959 2.025 2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.401 4.096 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.860 4.575 1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.647 3.116 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.232 3.682 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.467 5.786 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.160 5.848 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.878 6.071 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.716 4.636 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.076 4.576 5.824 1.00 0.00 H new ATOM 333 N ARG A 35 -12.924 1.850 -1.443 1.00 0.00 N ATOM 334 CA ARG A 35 -12.530 2.383 -2.750 1.00 0.00 C ATOM 335 C ARG A 35 -12.974 3.841 -2.905 1.00 0.00 C ATOM 336 O ARG A 35 -13.653 4.200 -3.871 1.00 0.00 O ATOM 337 CB ARG A 35 -13.103 1.520 -3.887 1.00 0.00 C ATOM 338 CG ARG A 35 -14.622 1.411 -3.888 1.00 0.00 C ATOM 339 CD ARG A 35 -15.206 1.779 -5.245 1.00 0.00 C ATOM 340 NE ARG A 35 -16.659 1.606 -5.287 1.00 0.00 N ATOM 341 CZ ARG A 35 -17.273 0.421 -5.351 1.00 0.00 C ATOM 342 NH1 ARG A 35 -16.564 -0.706 -5.390 1.00 0.00 N ATOM 343 NH2 ARG A 35 -18.602 0.363 -5.377 1.00 0.00 N ATOM 0 H ARG A 35 -13.790 1.311 -1.450 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.442 2.352 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.780 1.936 -4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.679 0.518 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.915 0.394 -3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.036 2.067 -3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.958 2.815 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.746 1.161 -6.016 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.240 2.444 -5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.545 -0.668 -5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.040 -1.607 -5.439 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.151 1.222 -5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.072 -0.541 -5.426 1.00 0.00 H new ATOM 357 N HIS A 36 -12.582 4.679 -1.943 1.00 0.00 N ATOM 358 CA HIS A 36 -12.931 6.098 -1.965 1.00 0.00 C ATOM 359 C HIS A 36 -11.861 6.947 -1.264 1.00 0.00 C ATOM 360 O HIS A 36 -12.164 8.006 -0.709 1.00 0.00 O ATOM 361 CB HIS A 36 -14.296 6.313 -1.300 1.00 0.00 C ATOM 362 CG HIS A 36 -15.261 7.085 -2.145 1.00 0.00 C ATOM 363 ND1 HIS A 36 -16.056 6.498 -3.108 1.00 0.00 N ATOM 364 CD2 HIS A 36 -15.563 8.405 -2.165 1.00 0.00 C ATOM 365 CE1 HIS A 36 -16.804 7.425 -3.684 1.00 0.00 C ATOM 366 NE2 HIS A 36 -16.523 8.589 -3.130 1.00 0.00 N ATOM 0 H HIS A 36 -12.022 4.397 -1.138 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.983 6.417 -3.006 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.731 5.343 -1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.152 6.839 -0.356 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.130 9.171 -1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -17.522 7.257 -4.473 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.950 9.482 -3.378 1.00 0.00 H new ATOM 375 N THR A 37 -10.610 6.481 -1.295 1.00 0.00 N ATOM 376 CA THR A 37 -9.502 7.200 -0.665 1.00 0.00 C ATOM 377 C THR A 37 -8.169 6.830 -1.316 1.00 0.00 C ATOM 378 O THR A 37 -8.019 5.731 -1.854 1.00 0.00 O ATOM 379 CB THR A 37 -9.442 6.903 0.842 1.00 0.00 C ATOM 380 OG1 THR A 37 -10.176 5.729 1.167 1.00 0.00 O ATOM 381 CG2 THR A 37 -9.981 8.035 1.692 1.00 0.00 C ATOM 0 H THR A 37 -10.340 5.609 -1.750 1.00 0.00 H new ATOM 0 HA THR A 37 -9.679 8.266 -0.808 1.00 0.00 H new ATOM 0 HB THR A 37 -8.383 6.769 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.119 5.564 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.911 7.764 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.397 8.937 1.510 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.024 8.220 1.433 1.00 0.00 H new ATOM 389 N PRO A 38 -7.176 7.745 -1.271 1.00 0.00 N ATOM 390 CA PRO A 38 -5.849 7.505 -1.858 1.00 0.00 C ATOM 391 C PRO A 38 -5.066 6.430 -1.102 1.00 0.00 C ATOM 392 O PRO A 38 -5.388 6.105 0.042 1.00 0.00 O ATOM 393 CB PRO A 38 -5.153 8.866 -1.736 1.00 0.00 C ATOM 394 CG PRO A 38 -5.839 9.546 -0.603 1.00 0.00 C ATOM 395 CD PRO A 38 -7.268 9.079 -0.644 1.00 0.00 C ATOM 0 HA PRO A 38 -5.916 7.139 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.087 8.749 -1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.246 9.441 -2.657 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.371 9.289 0.347 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.779 10.630 -0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.701 9.024 0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.895 9.754 -1.227 1.00 0.00 H new ATOM 403 N LEU A 39 -4.036 5.881 -1.750 1.00 0.00 N ATOM 404 CA LEU A 39 -3.210 4.838 -1.135 1.00 0.00 C ATOM 405 C LEU A 39 -2.472 5.350 0.107 1.00 0.00 C ATOM 406 O LEU A 39 -2.041 4.555 0.942 1.00 0.00 O ATOM 407 CB LEU A 39 -2.207 4.280 -2.149 1.00 0.00 C ATOM 408 CG LEU A 39 -2.683 3.036 -2.901 1.00 0.00 C ATOM 409 CD1 LEU A 39 -1.779 2.751 -4.092 1.00 0.00 C ATOM 410 CD2 LEU A 39 -2.733 1.836 -1.964 1.00 0.00 C ATOM 0 H LEU A 39 -3.754 6.139 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.881 4.040 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.973 5.059 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.280 4.041 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.690 3.223 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.134 1.862 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.795 3.602 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.760 2.584 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.074 0.959 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.738 1.648 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.423 2.042 -1.146 1.00 0.00 H new ATOM 422 N SER A 40 -2.337 6.676 0.228 1.00 0.00 N ATOM 423 CA SER A 40 -1.660 7.286 1.378 1.00 0.00 C ATOM 424 C SER A 40 -2.180 6.707 2.700 1.00 0.00 C ATOM 425 O SER A 40 -1.417 6.537 3.653 1.00 0.00 O ATOM 426 CB SER A 40 -1.858 8.806 1.376 1.00 0.00 C ATOM 427 OG SER A 40 -3.009 9.176 0.634 1.00 0.00 O ATOM 0 H SER A 40 -2.687 7.347 -0.456 1.00 0.00 H new ATOM 0 HA SER A 40 -0.597 7.059 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.953 9.164 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.978 9.289 0.951 1.00 0.00 H new ATOM 0 HG SER A 40 -3.110 10.151 0.652 1.00 0.00 H new ATOM 433 N LYS A 41 -3.484 6.411 2.750 1.00 0.00 N ATOM 434 CA LYS A 41 -4.106 5.854 3.953 1.00 0.00 C ATOM 435 C LYS A 41 -3.453 4.530 4.348 1.00 0.00 C ATOM 436 O LYS A 41 -2.868 4.419 5.427 1.00 0.00 O ATOM 437 CB LYS A 41 -5.612 5.652 3.740 1.00 0.00 C ATOM 438 CG LYS A 41 -6.477 6.404 4.742 1.00 0.00 C ATOM 439 CD LYS A 41 -6.147 6.018 6.180 1.00 0.00 C ATOM 440 CE LYS A 41 -6.513 4.570 6.477 1.00 0.00 C ATOM 441 NZ LYS A 41 -6.356 4.237 7.922 1.00 0.00 N ATOM 0 H LYS A 41 -4.127 6.549 1.971 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.956 6.567 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.874 5.975 2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.840 4.588 3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.334 7.477 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.528 6.196 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.083 6.168 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.683 6.676 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.544 4.387 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.883 3.908 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.616 3.242 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.367 4.386 8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.976 4.850 8.489 1.00 0.00 H new ATOM 455 N LEU A 42 -3.547 3.532 3.469 1.00 0.00 N ATOM 456 CA LEU A 42 -2.954 2.222 3.735 1.00 0.00 C ATOM 457 C LEU A 42 -1.433 2.328 3.865 1.00 0.00 C ATOM 458 O LEU A 42 -0.821 1.600 4.646 1.00 0.00 O ATOM 459 CB LEU A 42 -3.323 1.225 2.632 1.00 0.00 C ATOM 460 CG LEU A 42 -2.982 -0.238 2.939 1.00 0.00 C ATOM 461 CD1 LEU A 42 -4.040 -0.859 3.841 1.00 0.00 C ATOM 462 CD2 LEU A 42 -2.835 -1.037 1.650 1.00 0.00 C ATOM 0 H LEU A 42 -4.026 3.605 2.571 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.356 1.858 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.393 1.300 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.812 1.516 1.714 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.028 -0.264 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.779 -1.897 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.090 -0.305 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.010 -0.820 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.593 -2.072 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.771 -1.003 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.036 -0.608 1.045 1.00 0.00 H new ATOM 474 N MET A 43 -0.831 3.244 3.099 1.00 0.00 N ATOM 475 CA MET A 43 0.616 3.453 3.135 1.00 0.00 C ATOM 476 C MET A 43 1.082 3.755 4.557 1.00 0.00 C ATOM 477 O MET A 43 1.867 3.001 5.133 1.00 0.00 O ATOM 478 CB MET A 43 1.017 4.606 2.207 1.00 0.00 C ATOM 479 CG MET A 43 2.136 4.255 1.240 1.00 0.00 C ATOM 480 SD MET A 43 3.773 4.549 1.936 1.00 0.00 S ATOM 481 CE MET A 43 4.727 4.846 0.449 1.00 0.00 C ATOM 0 H MET A 43 -1.326 3.852 2.447 1.00 0.00 H new ATOM 0 HA MET A 43 1.096 2.536 2.792 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.143 4.922 1.637 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.327 5.457 2.813 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.049 3.206 0.955 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.022 4.843 0.329 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.341 3.972 0.230 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.051 5.033 -0.385 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.370 5.713 0.597 1.00 0.00 H new ATOM 491 N LYS A 44 0.588 4.860 5.119 1.00 0.00 N ATOM 492 CA LYS A 44 0.953 5.259 6.477 1.00 0.00 C ATOM 493 C LYS A 44 0.572 4.178 7.491 1.00 0.00 C ATOM 494 O LYS A 44 1.304 3.936 8.451 1.00 0.00 O ATOM 495 CB LYS A 44 0.286 6.590 6.848 1.00 0.00 C ATOM 496 CG LYS A 44 1.281 7.709 7.122 1.00 0.00 C ATOM 497 CD LYS A 44 0.583 9.009 7.493 1.00 0.00 C ATOM 498 CE LYS A 44 1.472 9.886 8.363 1.00 0.00 C ATOM 499 NZ LYS A 44 1.315 11.334 8.048 1.00 0.00 N ATOM 0 H LYS A 44 -0.064 5.492 4.655 1.00 0.00 H new ATOM 0 HA LYS A 44 2.035 5.389 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.377 6.894 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.336 6.443 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.949 7.412 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.901 7.868 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.311 9.550 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.344 8.788 8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.232 9.716 9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.514 9.596 8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.939 11.893 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.569 11.503 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.327 11.619 8.206 1.00 0.00 H new ATOM 513 N ALA A 45 -0.575 3.530 7.270 1.00 0.00 N ATOM 514 CA ALA A 45 -1.049 2.473 8.164 1.00 0.00 C ATOM 515 C ALA A 45 -0.092 1.279 8.178 1.00 0.00 C ATOM 516 O ALA A 45 0.192 0.718 9.236 1.00 0.00 O ATOM 517 CB ALA A 45 -2.447 2.022 7.759 1.00 0.00 C ATOM 0 H ALA A 45 -1.191 3.720 6.480 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.086 2.884 9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.785 1.236 8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.133 2.868 7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.425 1.640 6.738 1.00 0.00 H new ATOM 523 N TYR A 46 0.395 0.893 6.998 1.00 0.00 N ATOM 524 CA TYR A 46 1.315 -0.238 6.874 1.00 0.00 C ATOM 525 C TYR A 46 2.712 0.118 7.389 1.00 0.00 C ATOM 526 O TYR A 46 3.323 -0.659 8.122 1.00 0.00 O ATOM 527 CB TYR A 46 1.396 -0.699 5.412 1.00 0.00 C ATOM 528 CG TYR A 46 2.337 -1.866 5.182 1.00 0.00 C ATOM 529 CD1 TYR A 46 2.067 -3.121 5.718 1.00 0.00 C ATOM 530 CD2 TYR A 46 3.491 -1.713 4.424 1.00 0.00 C ATOM 531 CE1 TYR A 46 2.923 -4.186 5.507 1.00 0.00 C ATOM 532 CE2 TYR A 46 4.351 -2.773 4.209 1.00 0.00 C ATOM 533 CZ TYR A 46 4.061 -4.009 4.752 1.00 0.00 C ATOM 534 OH TYR A 46 4.912 -5.072 4.539 1.00 0.00 O ATOM 0 H TYR A 46 0.167 1.348 6.114 1.00 0.00 H new ATOM 0 HA TYR A 46 0.927 -1.052 7.487 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.398 -0.979 5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.717 0.140 4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.174 -3.266 6.308 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.720 -0.749 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.700 -5.153 5.933 1.00 0.00 H new ATOM 0 HE2 TYR A 46 5.245 -2.635 3.619 1.00 0.00 H new ATOM 0 HH TYR A 46 5.667 -4.781 3.986 1.00 0.00 H new ATOM 544 N SER A 47 3.212 1.292 6.997 1.00 0.00 N ATOM 545 CA SER A 47 4.541 1.746 7.416 1.00 0.00 C ATOM 546 C SER A 47 4.624 1.903 8.934 1.00 0.00 C ATOM 547 O SER A 47 5.554 1.396 9.564 1.00 0.00 O ATOM 548 CB SER A 47 4.897 3.070 6.733 1.00 0.00 C ATOM 549 OG SER A 47 4.617 3.021 5.345 1.00 0.00 O ATOM 0 H SER A 47 2.717 1.946 6.390 1.00 0.00 H new ATOM 0 HA SER A 47 5.259 0.984 7.113 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.333 3.882 7.192 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.954 3.289 6.886 1.00 0.00 H new ATOM 0 HG SER A 47 3.657 3.154 5.200 1.00 0.00 H new ATOM 555 N GLU A 48 3.653 2.609 9.516 1.00 0.00 N ATOM 556 CA GLU A 48 3.626 2.829 10.962 1.00 0.00 C ATOM 557 C GLU A 48 3.511 1.505 11.715 1.00 0.00 C ATOM 558 O GLU A 48 4.291 1.236 12.630 1.00 0.00 O ATOM 559 CB GLU A 48 2.469 3.755 11.349 1.00 0.00 C ATOM 560 CG GLU A 48 2.759 4.607 12.575 1.00 0.00 C ATOM 561 CD GLU A 48 3.136 6.033 12.222 1.00 0.00 C ATOM 562 OE1 GLU A 48 4.130 6.222 11.487 1.00 0.00 O ATOM 563 OE2 GLU A 48 2.437 6.962 12.678 1.00 0.00 O ATOM 0 H GLU A 48 2.878 3.037 9.010 1.00 0.00 H new ATOM 0 HA GLU A 48 4.565 3.306 11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.240 4.409 10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.579 3.154 11.536 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.881 4.617 13.221 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.569 4.152 13.145 1.00 0.00 H new ATOM 570 N ARG A 49 2.540 0.680 11.320 1.00 0.00 N ATOM 571 CA ARG A 49 2.332 -0.623 11.955 1.00 0.00 C ATOM 572 C ARG A 49 3.591 -1.489 11.850 1.00 0.00 C ATOM 573 O ARG A 49 3.875 -2.292 12.739 1.00 0.00 O ATOM 574 CB ARG A 49 1.143 -1.342 11.310 1.00 0.00 C ATOM 575 CG ARG A 49 0.529 -2.426 12.185 1.00 0.00 C ATOM 576 CD ARG A 49 -0.990 -2.441 12.073 1.00 0.00 C ATOM 577 NE ARG A 49 -1.641 -2.317 13.379 1.00 0.00 N ATOM 578 CZ ARG A 49 -2.960 -2.186 13.549 1.00 0.00 C ATOM 579 NH1 ARG A 49 -3.778 -2.160 12.500 1.00 0.00 N ATOM 580 NH2 ARG A 49 -3.463 -2.080 14.774 1.00 0.00 N ATOM 0 H ARG A 49 1.887 0.890 10.565 1.00 0.00 H new ATOM 0 HA ARG A 49 2.117 -0.457 13.011 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.375 -0.607 11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.467 -1.788 10.370 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.926 -3.398 11.893 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.817 -2.263 13.224 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.313 -1.624 11.428 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.309 -3.368 11.596 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.051 -2.332 14.211 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.400 -2.240 11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.783 -2.060 12.640 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.843 -2.099 15.583 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.470 -1.980 14.905 1.00 0.00 H new ATOM 594 N GLN A 50 4.343 -1.316 10.760 1.00 0.00 N ATOM 595 CA GLN A 50 5.572 -2.077 10.543 1.00 0.00 C ATOM 596 C GLN A 50 6.688 -1.593 11.466 1.00 0.00 C ATOM 597 O GLN A 50 7.316 -2.391 12.163 1.00 0.00 O ATOM 598 CB GLN A 50 6.022 -1.958 9.082 1.00 0.00 C ATOM 599 CG GLN A 50 5.770 -3.214 8.263 1.00 0.00 C ATOM 600 CD GLN A 50 7.023 -4.045 8.057 1.00 0.00 C ATOM 601 OE1 GLN A 50 8.085 -3.743 8.604 1.00 0.00 O ATOM 602 NE2 GLN A 50 6.906 -5.100 7.261 1.00 0.00 N ATOM 0 H GLN A 50 4.121 -0.655 10.015 1.00 0.00 H new ATOM 0 HA GLN A 50 5.362 -3.122 10.771 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.501 -1.121 8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.087 -1.725 9.056 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.015 -3.822 8.762 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.363 -2.933 7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.008 -5.315 6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.714 -5.696 7.082 1.00 0.00 H new ATOM 611 N GLY A 51 6.936 -0.283 11.457 1.00 0.00 N ATOM 612 CA GLY A 51 7.983 0.285 12.288 1.00 0.00 C ATOM 613 C GLY A 51 8.804 1.338 11.560 1.00 0.00 C ATOM 614 O GLY A 51 9.577 2.065 12.185 1.00 0.00 O ATOM 0 H GLY A 51 6.429 0.394 10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.535 0.730 13.176 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.643 -0.512 12.629 1.00 0.00 H new ATOM 618 N LEU A 52 8.635 1.424 10.238 1.00 0.00 N ATOM 619 CA LEU A 52 9.362 2.399 9.433 1.00 0.00 C ATOM 620 C LEU A 52 8.785 3.805 9.636 1.00 0.00 C ATOM 621 O LEU A 52 8.019 4.041 10.573 1.00 0.00 O ATOM 622 CB LEU A 52 9.307 2.014 7.947 1.00 0.00 C ATOM 623 CG LEU A 52 9.532 0.529 7.641 1.00 0.00 C ATOM 624 CD1 LEU A 52 9.428 0.268 6.145 1.00 0.00 C ATOM 625 CD2 LEU A 52 10.883 0.068 8.171 1.00 0.00 C ATOM 0 H LEU A 52 8.000 0.829 9.706 1.00 0.00 H new ATOM 0 HA LEU A 52 10.403 2.401 9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.335 2.306 7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.057 2.595 7.411 1.00 0.00 H new ATOM 0 HG LEU A 52 8.754 -0.044 8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.591 -0.792 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.437 0.554 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.182 0.854 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.022 -0.989 7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.676 0.648 7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.919 0.214 9.251 1.00 0.00 H new ATOM 637 N SER A 53 9.158 4.732 8.757 1.00 0.00 N ATOM 638 CA SER A 53 8.684 6.114 8.840 1.00 0.00 C ATOM 639 C SER A 53 7.861 6.488 7.608 1.00 0.00 C ATOM 640 O SER A 53 7.842 5.757 6.618 1.00 0.00 O ATOM 641 CB SER A 53 9.872 7.074 8.979 1.00 0.00 C ATOM 642 OG SER A 53 10.934 6.477 9.703 1.00 0.00 O ATOM 0 H SER A 53 9.789 4.552 7.976 1.00 0.00 H new ATOM 0 HA SER A 53 8.046 6.198 9.720 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.223 7.367 7.990 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.550 7.984 9.486 1.00 0.00 H new ATOM 0 HG SER A 53 11.678 7.111 9.775 1.00 0.00 H new ATOM 648 N MET A 54 7.193 7.641 7.674 1.00 0.00 N ATOM 649 CA MET A 54 6.379 8.120 6.558 1.00 0.00 C ATOM 650 C MET A 54 7.152 9.136 5.706 1.00 0.00 C ATOM 651 O MET A 54 6.556 10.028 5.098 1.00 0.00 O ATOM 652 CB MET A 54 5.072 8.742 7.073 1.00 0.00 C ATOM 653 CG MET A 54 5.273 9.966 7.955 1.00 0.00 C ATOM 654 SD MET A 54 5.207 9.576 9.715 1.00 0.00 S ATOM 655 CE MET A 54 6.665 10.430 10.308 1.00 0.00 C ATOM 0 H MET A 54 7.200 8.258 8.486 1.00 0.00 H new ATOM 0 HA MET A 54 6.136 7.264 5.929 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.453 9.020 6.220 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.520 7.989 7.635 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.236 10.421 7.724 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.507 10.706 7.722 1.00 0.00 H new ATOM 0 HE1 MET A 54 6.761 10.282 11.384 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.548 10.033 9.807 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.575 11.495 10.095 1.00 0.00 H new ATOM 665 N ARG A 55 8.481 8.994 5.663 1.00 0.00 N ATOM 666 CA ARG A 55 9.326 9.897 4.883 1.00 0.00 C ATOM 667 C ARG A 55 10.290 9.132 3.963 1.00 0.00 C ATOM 668 O ARG A 55 11.102 9.745 3.267 1.00 0.00 O ATOM 669 CB ARG A 55 10.120 10.817 5.818 1.00 0.00 C ATOM 670 CG ARG A 55 10.232 12.249 5.316 1.00 0.00 C ATOM 671 CD ARG A 55 9.045 13.091 5.757 1.00 0.00 C ATOM 672 NE ARG A 55 7.857 12.834 4.940 1.00 0.00 N ATOM 673 CZ ARG A 55 7.650 13.370 3.733 1.00 0.00 C ATOM 674 NH1 ARG A 55 8.554 14.180 3.189 1.00 0.00 N ATOM 675 NH2 ARG A 55 6.536 13.086 3.065 1.00 0.00 N ATOM 0 H ARG A 55 8.991 8.263 6.159 1.00 0.00 H new ATOM 0 HA ARG A 55 8.668 10.495 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.645 10.821 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.122 10.408 5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.154 12.695 5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.295 12.250 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.819 12.880 6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.307 14.147 5.695 1.00 0.00 H new ATOM 0 HE ARG A 55 7.144 12.208 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.414 14.397 3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.388 14.584 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.842 12.460 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.376 13.494 2.144 1.00 0.00 H new ATOM 689 N GLN A 56 10.192 7.798 3.946 1.00 0.00 N ATOM 690 CA GLN A 56 11.046 6.977 3.100 1.00 0.00 C ATOM 691 C GLN A 56 10.427 5.595 2.906 1.00 0.00 C ATOM 692 O GLN A 56 10.840 4.618 3.536 1.00 0.00 O ATOM 693 CB GLN A 56 12.446 6.852 3.715 1.00 0.00 C ATOM 694 CG GLN A 56 13.561 6.759 2.684 1.00 0.00 C ATOM 695 CD GLN A 56 14.100 5.348 2.522 1.00 0.00 C ATOM 696 OE1 GLN A 56 13.880 4.702 1.497 1.00 0.00 O ATOM 697 NE2 GLN A 56 14.812 4.862 3.534 1.00 0.00 N ATOM 0 H GLN A 56 9.527 7.270 4.511 1.00 0.00 H new ATOM 0 HA GLN A 56 11.137 7.458 2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.629 7.713 4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.476 5.967 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.190 7.114 1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.375 7.422 2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.971 5.431 4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.200 3.920 3.479 1.00 0.00 H new ATOM 706 N ILE A 57 9.434 5.531 2.027 1.00 0.00 N ATOM 707 CA ILE A 57 8.735 4.279 1.725 1.00 0.00 C ATOM 708 C ILE A 57 8.396 4.186 0.237 1.00 0.00 C ATOM 709 O ILE A 57 8.318 5.204 -0.455 1.00 0.00 O ATOM 710 CB ILE A 57 7.428 4.144 2.543 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.667 4.497 4.016 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.856 2.738 2.418 1.00 0.00 C ATOM 713 CD1 ILE A 57 8.460 3.452 4.775 1.00 0.00 C ATOM 0 H ILE A 57 9.090 6.337 1.505 1.00 0.00 H new ATOM 0 HA ILE A 57 9.411 3.469 1.999 1.00 0.00 H new ATOM 0 HB ILE A 57 6.702 4.848 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.194 5.450 4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.704 4.636 4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.938 2.666 3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.639 2.525 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.581 2.016 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.588 3.772 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.925 2.502 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.438 3.328 4.310 1.00 0.00 H new ATOM 725 N ARG A 58 8.190 2.961 -0.248 1.00 0.00 N ATOM 726 CA ARG A 58 7.856 2.737 -1.652 1.00 0.00 C ATOM 727 C ARG A 58 6.736 1.707 -1.803 1.00 0.00 C ATOM 728 O ARG A 58 6.768 0.641 -1.185 1.00 0.00 O ATOM 729 CB ARG A 58 9.094 2.274 -2.426 1.00 0.00 C ATOM 730 CG ARG A 58 8.895 2.241 -3.935 1.00 0.00 C ATOM 731 CD ARG A 58 9.535 3.444 -4.616 1.00 0.00 C ATOM 732 NE ARG A 58 10.535 3.046 -5.608 1.00 0.00 N ATOM 733 CZ ARG A 58 11.780 2.666 -5.305 1.00 0.00 C ATOM 734 NH1 ARG A 58 12.184 2.620 -4.037 1.00 0.00 N ATOM 735 NH2 ARG A 58 12.625 2.326 -6.274 1.00 0.00 N ATOM 0 H ARG A 58 8.249 2.110 0.312 1.00 0.00 H new ATOM 0 HA ARG A 58 7.506 3.684 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.927 2.937 -2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.374 1.278 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.324 1.324 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.829 2.220 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.762 4.040 -5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.003 4.079 -3.864 1.00 0.00 H new ATOM 0 HE ARG A 58 10.265 3.059 -6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.541 2.876 -3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.136 2.329 -3.815 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.323 2.355 -7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.575 2.036 -6.043 1.00 0.00 H new ATOM 749 N PHE A 59 5.753 2.035 -2.642 1.00 0.00 N ATOM 750 CA PHE A 59 4.618 1.151 -2.902 1.00 0.00 C ATOM 751 C PHE A 59 4.509 0.865 -4.398 1.00 0.00 C ATOM 752 O PHE A 59 4.171 1.752 -5.182 1.00 0.00 O ATOM 753 CB PHE A 59 3.318 1.785 -2.389 1.00 0.00 C ATOM 754 CG PHE A 59 2.869 1.260 -1.049 1.00 0.00 C ATOM 755 CD1 PHE A 59 3.628 1.481 0.092 1.00 0.00 C ATOM 756 CD2 PHE A 59 1.683 0.550 -0.931 1.00 0.00 C ATOM 757 CE1 PHE A 59 3.213 1.003 1.322 1.00 0.00 C ATOM 758 CE2 PHE A 59 1.264 0.070 0.297 1.00 0.00 C ATOM 759 CZ PHE A 59 2.030 0.297 1.424 1.00 0.00 C ATOM 0 H PHE A 59 5.721 2.915 -3.157 1.00 0.00 H new ATOM 0 HA PHE A 59 4.779 0.212 -2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.455 2.864 -2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.528 1.611 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.554 2.033 0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.080 0.370 -1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.813 1.182 2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.339 -0.482 0.375 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.704 -0.077 2.383 1.00 0.00 H new ATOM 769 N ARG A 60 4.810 -0.372 -4.791 1.00 0.00 N ATOM 770 CA ARG A 60 4.754 -0.763 -6.198 1.00 0.00 C ATOM 771 C ARG A 60 3.587 -1.710 -6.467 1.00 0.00 C ATOM 772 O ARG A 60 3.306 -2.605 -5.670 1.00 0.00 O ATOM 773 CB ARG A 60 6.069 -1.427 -6.619 1.00 0.00 C ATOM 774 CG ARG A 60 7.061 -0.469 -7.260 1.00 0.00 C ATOM 775 CD ARG A 60 7.988 -1.191 -8.225 1.00 0.00 C ATOM 776 NE ARG A 60 9.250 -0.476 -8.416 1.00 0.00 N ATOM 777 CZ ARG A 60 10.085 -0.691 -9.437 1.00 0.00 C ATOM 778 NH1 ARG A 60 9.796 -1.599 -10.366 1.00 0.00 N ATOM 779 NH2 ARG A 60 11.211 0.007 -9.530 1.00 0.00 N ATOM 0 H ARG A 60 5.094 -1.118 -4.157 1.00 0.00 H new ATOM 0 HA ARG A 60 4.602 0.142 -6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.532 -1.883 -5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.851 -2.232 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.521 0.315 -7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.650 0.019 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.193 -2.193 -7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.489 -1.308 -9.187 1.00 0.00 H new ATOM 0 HE ARG A 60 9.509 0.230 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.932 -2.137 -10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.439 -1.757 -11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.438 0.706 -8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.849 -0.156 -10.309 1.00 0.00 H new ATOM 793 N PHE A 61 2.917 -1.508 -7.602 1.00 0.00 N ATOM 794 CA PHE A 61 1.784 -2.345 -7.992 1.00 0.00 C ATOM 795 C PHE A 61 2.126 -3.138 -9.253 1.00 0.00 C ATOM 796 O PHE A 61 2.111 -2.595 -10.359 1.00 0.00 O ATOM 797 CB PHE A 61 0.538 -1.481 -8.225 1.00 0.00 C ATOM 798 CG PHE A 61 -0.670 -2.258 -8.681 1.00 0.00 C ATOM 799 CD1 PHE A 61 -0.853 -2.559 -10.023 1.00 0.00 C ATOM 800 CD2 PHE A 61 -1.621 -2.687 -7.768 1.00 0.00 C ATOM 801 CE1 PHE A 61 -1.960 -3.273 -10.443 1.00 0.00 C ATOM 802 CE2 PHE A 61 -2.729 -3.400 -8.182 1.00 0.00 C ATOM 803 CZ PHE A 61 -2.899 -3.694 -9.521 1.00 0.00 C ATOM 0 H PHE A 61 3.141 -0.769 -8.269 1.00 0.00 H new ATOM 0 HA PHE A 61 1.572 -3.046 -7.185 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.293 -0.958 -7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.770 -0.720 -8.970 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.122 -2.232 -10.748 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.494 -2.461 -6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.091 -3.501 -11.490 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.462 -3.727 -7.459 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.764 -4.252 -9.847 1.00 0.00 H new ATOM 813 N ASP A 62 2.444 -4.422 -9.075 1.00 0.00 N ATOM 814 CA ASP A 62 2.804 -5.296 -10.194 1.00 0.00 C ATOM 815 C ASP A 62 3.915 -4.670 -11.048 1.00 0.00 C ATOM 816 O ASP A 62 3.941 -4.828 -12.271 1.00 0.00 O ATOM 817 CB ASP A 62 1.567 -5.591 -11.053 1.00 0.00 C ATOM 818 CG ASP A 62 1.015 -6.985 -10.817 1.00 0.00 C ATOM 819 OD1 ASP A 62 0.758 -7.333 -9.645 1.00 0.00 O ATOM 820 OD2 ASP A 62 0.840 -7.729 -11.805 1.00 0.00 O ATOM 0 H ASP A 62 2.460 -4.881 -8.164 1.00 0.00 H new ATOM 0 HA ASP A 62 3.183 -6.234 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.793 -4.855 -10.834 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.825 -5.479 -12.106 1.00 0.00 H new ATOM 825 N GLY A 63 4.831 -3.957 -10.388 1.00 0.00 N ATOM 826 CA GLY A 63 5.931 -3.314 -11.090 1.00 0.00 C ATOM 827 C GLY A 63 5.635 -1.867 -11.463 1.00 0.00 C ATOM 828 O GLY A 63 6.217 -1.339 -12.412 1.00 0.00 O ATOM 0 H GLY A 63 4.829 -3.814 -9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.823 -3.347 -10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.156 -3.878 -11.995 1.00 0.00 H new ATOM 832 N GLN A 64 4.732 -1.224 -10.718 1.00 0.00 N ATOM 833 CA GLN A 64 4.368 0.166 -10.981 1.00 0.00 C ATOM 834 C GLN A 64 4.800 1.072 -9.828 1.00 0.00 C ATOM 835 O GLN A 64 4.176 1.075 -8.765 1.00 0.00 O ATOM 836 CB GLN A 64 2.858 0.288 -11.209 1.00 0.00 C ATOM 837 CG GLN A 64 2.491 1.275 -12.307 1.00 0.00 C ATOM 838 CD GLN A 64 2.178 0.592 -13.627 1.00 0.00 C ATOM 839 OE1 GLN A 64 1.170 0.889 -14.267 1.00 0.00 O ATOM 840 NE2 GLN A 64 3.043 -0.330 -14.040 1.00 0.00 N ATOM 0 H GLN A 64 4.241 -1.645 -9.929 1.00 0.00 H new ATOM 0 HA GLN A 64 4.889 0.487 -11.883 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.456 -0.693 -11.463 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.381 0.597 -10.279 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.627 1.859 -11.991 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.314 1.975 -12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.866 -0.545 -13.478 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.883 -0.822 -14.919 1.00 0.00 H new ATOM 849 N PRO A 65 5.885 1.851 -10.022 1.00 0.00 N ATOM 850 CA PRO A 65 6.406 2.760 -8.991 1.00 0.00 C ATOM 851 C PRO A 65 5.488 3.952 -8.733 1.00 0.00 C ATOM 852 O PRO A 65 5.373 4.852 -9.569 1.00 0.00 O ATOM 853 CB PRO A 65 7.743 3.232 -9.570 1.00 0.00 C ATOM 854 CG PRO A 65 7.591 3.087 -11.045 1.00 0.00 C ATOM 855 CD PRO A 65 6.694 1.899 -11.256 1.00 0.00 C ATOM 0 HA PRO A 65 6.494 2.261 -8.026 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.951 4.266 -9.293 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.571 2.629 -9.196 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.157 3.986 -11.482 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.558 2.935 -11.524 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.069 2.021 -12.141 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.268 0.983 -11.395 1.00 0.00 H new ATOM 863 N ILE A 66 4.841 3.952 -7.569 1.00 0.00 N ATOM 864 CA ILE A 66 3.936 5.036 -7.191 1.00 0.00 C ATOM 865 C ILE A 66 4.228 5.529 -5.774 1.00 0.00 C ATOM 866 O ILE A 66 4.686 4.765 -4.921 1.00 0.00 O ATOM 867 CB ILE A 66 2.453 4.605 -7.283 1.00 0.00 C ATOM 868 CG1 ILE A 66 2.187 3.386 -6.393 1.00 0.00 C ATOM 869 CG2 ILE A 66 2.075 4.306 -8.728 1.00 0.00 C ATOM 870 CD1 ILE A 66 0.720 3.155 -6.098 1.00 0.00 C ATOM 0 H ILE A 66 4.927 3.213 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 66 4.109 5.847 -7.899 1.00 0.00 H new ATOM 0 HB ILE A 66 1.833 5.428 -6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.595 2.498 -6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.722 3.511 -5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.029 4.004 -8.775 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.223 5.199 -9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.703 3.500 -9.109 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.611 2.276 -5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.310 4.026 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.181 2.997 -7.032 1.00 0.00 H new ATOM 882 N ASN A 67 3.960 6.812 -5.532 1.00 0.00 N ATOM 883 CA ASN A 67 4.192 7.412 -4.217 1.00 0.00 C ATOM 884 C ASN A 67 2.956 7.277 -3.328 1.00 0.00 C ATOM 885 O ASN A 67 1.900 6.811 -3.776 1.00 0.00 O ATOM 886 CB ASN A 67 4.566 8.890 -4.364 1.00 0.00 C ATOM 887 CG ASN A 67 6.053 9.092 -4.580 1.00 0.00 C ATOM 888 OD1 ASN A 67 6.817 9.233 -3.625 1.00 0.00 O ATOM 889 ND2 ASN A 67 6.473 9.107 -5.840 1.00 0.00 N ATOM 0 H ASN A 67 3.583 7.456 -6.228 1.00 0.00 H new ATOM 0 HA ASN A 67 5.018 6.879 -3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.018 9.319 -5.203 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.255 9.431 -3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.463 9.239 -6.046 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.805 8.986 -6.602 1.00 0.00 H new ATOM 896 N GLU A 68 3.087 7.695 -2.065 1.00 0.00 N ATOM 897 CA GLU A 68 1.977 7.624 -1.114 1.00 0.00 C ATOM 898 C GLU A 68 0.917 8.693 -1.412 1.00 0.00 C ATOM 899 O GLU A 68 0.515 9.447 -0.525 1.00 0.00 O ATOM 900 CB GLU A 68 2.490 7.769 0.329 1.00 0.00 C ATOM 901 CG GLU A 68 3.190 9.094 0.612 1.00 0.00 C ATOM 902 CD GLU A 68 4.443 8.936 1.457 1.00 0.00 C ATOM 903 OE1 GLU A 68 5.362 8.202 1.032 1.00 0.00 O ATOM 904 OE2 GLU A 68 4.506 9.549 2.545 1.00 0.00 O ATOM 0 H GLU A 68 3.948 8.084 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 68 1.509 6.646 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.649 7.661 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.181 6.953 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.454 9.568 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.497 9.763 1.122 1.00 0.00 H new ATOM 911 N THR A 69 0.462 8.748 -2.665 1.00 0.00 N ATOM 912 CA THR A 69 -0.554 9.715 -3.077 1.00 0.00 C ATOM 913 C THR A 69 -1.391 9.186 -4.248 1.00 0.00 C ATOM 914 O THR A 69 -2.032 9.966 -4.958 1.00 0.00 O ATOM 915 CB THR A 69 0.103 11.046 -3.466 1.00 0.00 C ATOM 916 OG1 THR A 69 1.278 10.830 -4.231 1.00 0.00 O ATOM 917 CG2 THR A 69 0.481 11.897 -2.273 1.00 0.00 C ATOM 0 H THR A 69 0.783 8.132 -3.413 1.00 0.00 H new ATOM 0 HA THR A 69 -1.220 9.875 -2.229 1.00 0.00 H new ATOM 0 HB THR A 69 -0.650 11.576 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.677 11.693 -4.468 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.940 12.823 -2.618 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.413 12.129 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.188 11.352 -1.647 1.00 0.00 H new ATOM 925 N ASP A 70 -1.379 7.864 -4.454 1.00 0.00 N ATOM 926 CA ASP A 70 -2.135 7.255 -5.549 1.00 0.00 C ATOM 927 C ASP A 70 -3.645 7.350 -5.319 1.00 0.00 C ATOM 928 O ASP A 70 -4.096 7.773 -4.254 1.00 0.00 O ATOM 929 CB ASP A 70 -1.725 5.795 -5.741 1.00 0.00 C ATOM 930 CG ASP A 70 -1.719 5.392 -7.203 1.00 0.00 C ATOM 931 OD1 ASP A 70 -0.874 5.915 -7.959 1.00 0.00 O ATOM 932 OD2 ASP A 70 -2.566 4.561 -7.593 1.00 0.00 O ATOM 0 H ASP A 70 -0.857 7.201 -3.880 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.899 7.814 -6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.732 5.639 -5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.411 5.151 -5.191 1.00 0.00 H new ATOM 937 N THR A 71 -4.420 6.950 -6.335 1.00 0.00 N ATOM 938 CA THR A 71 -5.885 6.989 -6.263 1.00 0.00 C ATOM 939 C THR A 71 -6.530 6.213 -7.424 1.00 0.00 C ATOM 940 O THR A 71 -7.318 5.298 -7.189 1.00 0.00 O ATOM 941 CB THR A 71 -6.404 8.439 -6.250 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.335 9.380 -6.264 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.269 8.748 -5.043 1.00 0.00 C ATOM 0 H THR A 71 -4.055 6.595 -7.219 1.00 0.00 H new ATOM 0 HA THR A 71 -6.170 6.507 -5.328 1.00 0.00 H new ATOM 0 HB THR A 71 -7.006 8.529 -7.154 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.700 10.290 -6.257 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.604 9.784 -5.091 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.135 8.087 -5.037 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.690 8.596 -4.132 1.00 0.00 H new ATOM 951 N PRO A 72 -6.216 6.567 -8.698 1.00 0.00 N ATOM 952 CA PRO A 72 -6.786 5.886 -9.873 1.00 0.00 C ATOM 953 C PRO A 72 -6.732 4.362 -9.766 1.00 0.00 C ATOM 954 O PRO A 72 -7.748 3.690 -9.941 1.00 0.00 O ATOM 955 CB PRO A 72 -5.905 6.369 -11.022 1.00 0.00 C ATOM 956 CG PRO A 72 -5.444 7.716 -10.596 1.00 0.00 C ATOM 957 CD PRO A 72 -5.298 7.655 -9.097 1.00 0.00 C ATOM 0 HA PRO A 72 -7.844 6.117 -9.995 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.064 5.696 -11.188 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.463 6.418 -11.957 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.496 7.971 -11.070 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.162 8.483 -10.886 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.271 7.440 -8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.571 8.601 -8.629 1.00 0.00 H new ATOM 965 N ALA A 73 -5.548 3.822 -9.470 1.00 0.00 N ATOM 966 CA ALA A 73 -5.381 2.376 -9.330 1.00 0.00 C ATOM 967 C ALA A 73 -6.248 1.843 -8.192 1.00 0.00 C ATOM 968 O ALA A 73 -6.848 0.773 -8.301 1.00 0.00 O ATOM 969 CB ALA A 73 -3.920 2.030 -9.086 1.00 0.00 C ATOM 0 H ALA A 73 -4.695 4.362 -9.323 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.700 1.903 -10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.814 0.950 -8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.319 2.376 -9.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.579 2.516 -8.172 1.00 0.00 H new ATOM 975 N GLN A 74 -6.313 2.611 -7.104 1.00 0.00 N ATOM 976 CA GLN A 74 -7.109 2.241 -5.940 1.00 0.00 C ATOM 977 C GLN A 74 -8.594 2.132 -6.302 1.00 0.00 C ATOM 978 O GLN A 74 -9.291 1.238 -5.820 1.00 0.00 O ATOM 979 CB GLN A 74 -6.910 3.269 -4.822 1.00 0.00 C ATOM 980 CG GLN A 74 -7.630 2.912 -3.530 1.00 0.00 C ATOM 981 CD GLN A 74 -6.811 2.005 -2.627 1.00 0.00 C ATOM 982 OE1 GLN A 74 -6.003 1.204 -3.098 1.00 0.00 O ATOM 983 NE2 GLN A 74 -7.017 2.125 -1.319 1.00 0.00 N ATOM 0 H GLN A 74 -5.819 3.498 -7.007 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.774 1.264 -5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.844 3.370 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.262 4.241 -5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.874 3.828 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.574 2.422 -3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.696 2.801 -0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.496 1.541 -0.665 1.00 0.00 H new ATOM 992 N LEU A 75 -9.069 3.040 -7.159 1.00 0.00 N ATOM 993 CA LEU A 75 -10.467 3.037 -7.590 1.00 0.00 C ATOM 994 C LEU A 75 -10.690 1.998 -8.687 1.00 0.00 C ATOM 995 O LEU A 75 -11.748 1.372 -8.754 1.00 0.00 O ATOM 996 CB LEU A 75 -10.872 4.427 -8.091 1.00 0.00 C ATOM 997 CG LEU A 75 -12.354 4.591 -8.451 1.00 0.00 C ATOM 998 CD1 LEU A 75 -13.238 4.329 -7.238 1.00 0.00 C ATOM 999 CD2 LEU A 75 -12.611 5.983 -9.015 1.00 0.00 C ATOM 0 H LEU A 75 -8.505 3.786 -7.567 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.089 2.776 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.619 5.159 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.273 4.666 -8.970 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.606 3.856 -9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.285 4.451 -7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.074 3.312 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.989 5.036 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.667 6.085 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.341 6.733 -8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.009 6.129 -9.912 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.680 1.818 -9.542 1.00 0.00 N ATOM 1012 CA GLU A 76 -9.756 0.849 -10.633 1.00 0.00 C ATOM 1013 C GLU A 76 -9.992 -0.566 -10.093 1.00 0.00 C ATOM 1014 O GLU A 76 -10.605 -1.400 -10.761 1.00 0.00 O ATOM 1015 CB GLU A 76 -8.468 0.883 -11.466 1.00 0.00 C ATOM 1016 CG GLU A 76 -8.534 0.047 -12.738 1.00 0.00 C ATOM 1017 CD GLU A 76 -7.164 -0.266 -13.310 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -6.372 0.680 -13.512 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -6.884 -1.457 -13.559 1.00 0.00 O ATOM 0 H GLU A 76 -8.800 2.332 -9.498 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.599 1.121 -11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.247 1.916 -11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.640 0.528 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.056 -0.886 -12.527 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.122 0.579 -13.486 1.00 0.00 H new ATOM 1026 N MET A 77 -9.500 -0.826 -8.879 1.00 0.00 N ATOM 1027 CA MET A 77 -9.653 -2.135 -8.246 1.00 0.00 C ATOM 1028 C MET A 77 -11.118 -2.427 -7.914 1.00 0.00 C ATOM 1029 O MET A 77 -12.005 -1.624 -8.211 1.00 0.00 O ATOM 1030 CB MET A 77 -8.805 -2.211 -6.972 1.00 0.00 C ATOM 1031 CG MET A 77 -7.680 -3.229 -7.051 1.00 0.00 C ATOM 1032 SD MET A 77 -6.486 -2.848 -8.346 1.00 0.00 S ATOM 1033 CE MET A 77 -6.659 -4.285 -9.400 1.00 0.00 C ATOM 0 H MET A 77 -8.992 -0.145 -8.315 1.00 0.00 H new ATOM 0 HA MET A 77 -9.309 -2.889 -8.954 1.00 0.00 H new ATOM 0 HB2 MET A 77 -8.381 -1.228 -6.769 1.00 0.00 H new ATOM 0 HB3 MET A 77 -9.451 -2.460 -6.130 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.167 -3.272 -6.090 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.102 -4.218 -7.231 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.982 -4.197 -10.249 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.415 -5.183 -8.833 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.686 -4.351 -9.760 1.00 0.00 H new ATOM 1043 N GLU A 78 -11.362 -3.580 -7.291 1.00 0.00 N ATOM 1044 CA GLU A 78 -12.720 -3.975 -6.917 1.00 0.00 C ATOM 1045 C GLU A 78 -12.726 -4.776 -5.614 1.00 0.00 C ATOM 1046 O GLU A 78 -13.437 -4.427 -4.667 1.00 0.00 O ATOM 1047 CB GLU A 78 -13.385 -4.783 -8.041 1.00 0.00 C ATOM 1048 CG GLU A 78 -12.475 -5.813 -8.703 1.00 0.00 C ATOM 1049 CD GLU A 78 -12.818 -7.241 -8.315 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -13.951 -7.681 -8.605 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -11.951 -7.918 -7.722 1.00 0.00 O ATOM 0 H GLU A 78 -10.641 -4.254 -7.036 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.295 -3.063 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.258 -5.295 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.746 -4.092 -8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.545 -5.709 -9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.441 -5.606 -8.429 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.929 -5.844 -5.571 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.840 -6.690 -4.385 1.00 0.00 C ATOM 1060 C ASP A 79 -10.430 -7.246 -4.211 1.00 0.00 C ATOM 1061 O ASP A 79 -9.826 -7.092 -3.151 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.849 -7.836 -4.466 1.00 0.00 C ATOM 1063 CG ASP A 79 -14.071 -7.582 -3.607 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -13.978 -7.765 -2.374 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -15.119 -7.192 -4.164 1.00 0.00 O ATOM 0 H ASP A 79 -11.336 -6.142 -6.346 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.075 -6.073 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.157 -7.974 -5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.370 -8.763 -4.150 1.00 0.00 H new ATOM 1070 N GLU A 80 -9.910 -7.892 -5.253 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.569 -8.466 -5.201 1.00 0.00 C ATOM 1072 C GLU A 80 -7.520 -7.437 -5.619 1.00 0.00 C ATOM 1073 O GLU A 80 -7.638 -6.806 -6.671 1.00 0.00 O ATOM 1074 CB GLU A 80 -8.486 -9.709 -6.090 1.00 0.00 C ATOM 1075 CG GLU A 80 -9.232 -10.911 -5.528 1.00 0.00 C ATOM 1076 CD GLU A 80 -9.498 -11.974 -6.578 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -10.409 -11.771 -7.408 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -8.797 -13.007 -6.569 1.00 0.00 O ATOM 0 H GLU A 80 -10.395 -8.030 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.363 -8.760 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.889 -9.469 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.438 -9.975 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.652 -11.346 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.179 -10.580 -5.103 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.498 -7.269 -4.779 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.428 -6.312 -5.047 1.00 0.00 C ATOM 1087 C ASP A 81 -4.107 -6.785 -4.437 1.00 0.00 C ATOM 1088 O ASP A 81 -4.035 -7.077 -3.240 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.818 -4.934 -4.487 1.00 0.00 C ATOM 1090 CG ASP A 81 -4.832 -3.826 -4.834 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -3.623 -4.110 -4.966 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -5.273 -2.666 -4.964 1.00 0.00 O ATOM 0 H ASP A 81 -6.390 -7.785 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.288 -6.234 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.803 -4.663 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.904 -5.004 -3.403 1.00 0.00 H new ATOM 1097 N THR A 82 -3.064 -6.852 -5.267 1.00 0.00 N ATOM 1098 CA THR A 82 -1.741 -7.282 -4.812 1.00 0.00 C ATOM 1099 C THR A 82 -0.675 -6.243 -5.157 1.00 0.00 C ATOM 1100 O THR A 82 -0.601 -5.768 -6.293 1.00 0.00 O ATOM 1101 CB THR A 82 -1.366 -8.634 -5.430 1.00 0.00 C ATOM 1102 OG1 THR A 82 -1.679 -8.666 -6.812 1.00 0.00 O ATOM 1103 CG2 THR A 82 -2.063 -9.807 -4.775 1.00 0.00 C ATOM 0 H THR A 82 -3.110 -6.614 -6.258 1.00 0.00 H new ATOM 0 HA THR A 82 -1.785 -7.388 -3.728 1.00 0.00 H new ATOM 0 HB THR A 82 -0.292 -8.732 -5.269 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.429 -9.538 -7.184 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.753 -10.732 -5.261 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.797 -9.845 -3.719 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.142 -9.690 -4.873 1.00 0.00 H new ATOM 1111 N ILE A 83 0.151 -5.899 -4.168 1.00 0.00 N ATOM 1112 CA ILE A 83 1.220 -4.919 -4.361 1.00 0.00 C ATOM 1113 C ILE A 83 2.528 -5.373 -3.712 1.00 0.00 C ATOM 1114 O ILE A 83 2.540 -6.275 -2.872 1.00 0.00 O ATOM 1115 CB ILE A 83 0.844 -3.536 -3.785 1.00 0.00 C ATOM 1116 CG1 ILE A 83 0.074 -3.688 -2.467 1.00 0.00 C ATOM 1117 CG2 ILE A 83 0.035 -2.736 -4.797 1.00 0.00 C ATOM 1118 CD1 ILE A 83 0.430 -2.644 -1.431 1.00 0.00 C ATOM 0 H ILE A 83 0.100 -6.285 -3.225 1.00 0.00 H new ATOM 0 HA ILE A 83 1.358 -4.836 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 83 1.764 -2.990 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.995 -3.633 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.269 -4.678 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.220 -1.765 -4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.625 -2.593 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.879 -3.277 -5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.154 -2.815 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.492 -2.712 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.208 -1.652 -1.823 1.00 0.00 H new ATOM 1130 N ASP A 84 3.626 -4.723 -4.105 1.00 0.00 N ATOM 1131 CA ASP A 84 4.951 -5.026 -3.574 1.00 0.00 C ATOM 1132 C ASP A 84 5.608 -3.759 -3.033 1.00 0.00 C ATOM 1133 O ASP A 84 6.039 -2.897 -3.802 1.00 0.00 O ATOM 1134 CB ASP A 84 5.833 -5.645 -4.662 1.00 0.00 C ATOM 1135 CG ASP A 84 5.316 -6.989 -5.134 1.00 0.00 C ATOM 1136 OD1 ASP A 84 5.589 -8.002 -4.457 1.00 0.00 O ATOM 1137 OD2 ASP A 84 4.635 -7.027 -6.181 1.00 0.00 O ATOM 0 H ASP A 84 3.619 -3.975 -4.798 1.00 0.00 H new ATOM 0 HA ASP A 84 4.840 -5.742 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.890 -4.963 -5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.847 -5.763 -4.280 1.00 0.00 H new ATOM 1142 N VAL A 85 5.676 -3.647 -1.709 1.00 0.00 N ATOM 1143 CA VAL A 85 6.276 -2.481 -1.067 1.00 0.00 C ATOM 1144 C VAL A 85 7.790 -2.634 -0.950 1.00 0.00 C ATOM 1145 O VAL A 85 8.287 -3.559 -0.305 1.00 0.00 O ATOM 1146 CB VAL A 85 5.670 -2.222 0.330 1.00 0.00 C ATOM 1147 CG1 VAL A 85 4.187 -1.907 0.211 1.00 0.00 C ATOM 1148 CG2 VAL A 85 5.896 -3.411 1.254 1.00 0.00 C ATOM 0 H VAL A 85 5.323 -4.350 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 85 6.055 -1.623 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 85 6.175 -1.360 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.773 -1.727 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.052 -1.018 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.672 -2.750 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.459 -3.201 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.425 -4.297 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.966 -3.587 1.365 1.00 0.00 H new ATOM 1158 N PHE A 86 8.515 -1.724 -1.594 1.00 0.00 N ATOM 1159 CA PHE A 86 9.976 -1.752 -1.584 1.00 0.00 C ATOM 1160 C PHE A 86 10.552 -0.666 -0.672 1.00 0.00 C ATOM 1161 O PHE A 86 9.819 0.178 -0.151 1.00 0.00 O ATOM 1162 CB PHE A 86 10.512 -1.570 -3.008 1.00 0.00 C ATOM 1163 CG PHE A 86 10.224 -2.733 -3.918 1.00 0.00 C ATOM 1164 CD1 PHE A 86 8.983 -2.870 -4.521 1.00 0.00 C ATOM 1165 CD2 PHE A 86 11.196 -3.687 -4.172 1.00 0.00 C ATOM 1166 CE1 PHE A 86 8.717 -3.937 -5.359 1.00 0.00 C ATOM 1167 CE2 PHE A 86 10.936 -4.756 -5.009 1.00 0.00 C ATOM 1168 CZ PHE A 86 9.695 -4.881 -5.602 1.00 0.00 C ATOM 0 H PHE A 86 8.114 -0.955 -2.131 1.00 0.00 H new ATOM 0 HA PHE A 86 10.289 -2.721 -1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.077 -0.668 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.590 -1.414 -2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.215 -2.134 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.168 -3.594 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.746 -4.032 -5.823 1.00 0.00 H new ATOM 0 HE2 PHE A 86 11.703 -5.493 -5.199 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.490 -5.716 -6.255 1.00 0.00 H new ATOM 1178 N GLN A 87 11.875 -0.693 -0.490 1.00 0.00 N ATOM 1179 CA GLN A 87 12.560 0.289 0.350 1.00 0.00 C ATOM 1180 C GLN A 87 13.805 0.841 -0.352 1.00 0.00 C ATOM 1181 O GLN A 87 14.267 0.276 -1.346 1.00 0.00 O ATOM 1182 CB GLN A 87 12.944 -0.340 1.693 1.00 0.00 C ATOM 1183 CG GLN A 87 11.977 -0.003 2.819 1.00 0.00 C ATOM 1184 CD GLN A 87 11.116 -1.183 3.228 1.00 0.00 C ATOM 1185 OE1 GLN A 87 11.541 -2.035 4.008 1.00 0.00 O ATOM 1186 NE2 GLN A 87 9.897 -1.236 2.704 1.00 0.00 N ATOM 0 H GLN A 87 12.492 -1.385 -0.914 1.00 0.00 H new ATOM 0 HA GLN A 87 11.876 1.119 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.992 -1.423 1.578 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.943 -0.004 1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 87 12.541 0.346 3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.333 0.819 2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.586 -0.508 2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.272 -2.005 2.944 1.00 0.00 H new ATOM 1195 N GLN A 88 14.337 1.951 0.175 1.00 0.00 N ATOM 1196 CA GLN A 88 15.528 2.599 -0.387 1.00 0.00 C ATOM 1197 C GLN A 88 15.202 3.309 -1.703 1.00 0.00 C ATOM 1198 O GLN A 88 14.588 2.724 -2.598 1.00 0.00 O ATOM 1199 CB GLN A 88 16.652 1.578 -0.602 1.00 0.00 C ATOM 1200 CG GLN A 88 18.039 2.121 -0.289 1.00 0.00 C ATOM 1201 CD GLN A 88 18.559 1.654 1.059 1.00 0.00 C ATOM 1202 OE1 GLN A 88 19.686 1.172 1.168 1.00 0.00 O ATOM 1203 NE2 GLN A 88 17.737 1.791 2.095 1.00 0.00 N ATOM 0 H GLN A 88 13.957 2.422 0.996 1.00 0.00 H new ATOM 0 HA GLN A 88 15.867 3.347 0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.463 0.706 0.024 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.629 1.238 -1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 88 18.732 1.808 -1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.011 3.211 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.810 2.196 1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.033 1.491 3.024 1.00 0.00 H new ATOM 1212 N GLN A 89 15.616 4.574 -1.809 1.00 0.00 N ATOM 1213 CA GLN A 89 15.369 5.367 -3.012 1.00 0.00 C ATOM 1214 C GLN A 89 16.681 5.739 -3.709 1.00 0.00 C ATOM 1215 O GLN A 89 16.963 5.252 -4.803 1.00 0.00 O ATOM 1216 CB GLN A 89 14.580 6.631 -2.658 1.00 0.00 C ATOM 1217 CG GLN A 89 13.361 6.855 -3.541 1.00 0.00 C ATOM 1218 CD GLN A 89 12.131 7.256 -2.749 1.00 0.00 C ATOM 1219 OE1 GLN A 89 11.088 6.608 -2.832 1.00 0.00 O ATOM 1220 NE2 GLN A 89 12.245 8.331 -1.976 1.00 0.00 N ATOM 0 H GLN A 89 16.123 5.069 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 89 14.781 4.761 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.259 6.570 -1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.240 7.495 -2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.585 7.630 -4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.148 5.943 -4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.128 8.839 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.449 8.648 -1.422 1.00 0.00 H new ATOM 1229 N THR A 90 17.478 6.601 -3.064 1.00 0.00 N ATOM 1230 CA THR A 90 18.765 7.040 -3.615 1.00 0.00 C ATOM 1231 C THR A 90 18.576 7.755 -4.955 1.00 0.00 C ATOM 1232 O THR A 90 18.461 7.114 -6.001 1.00 0.00 O ATOM 1233 CB THR A 90 19.715 5.846 -3.779 1.00 0.00 C ATOM 1234 OG1 THR A 90 19.828 5.123 -2.566 1.00 0.00 O ATOM 1235 CG2 THR A 90 21.114 6.242 -4.207 1.00 0.00 C ATOM 0 H THR A 90 17.252 7.009 -2.157 1.00 0.00 H new ATOM 0 HA THR A 90 19.207 7.746 -2.912 1.00 0.00 H new ATOM 0 HB THR A 90 19.272 5.235 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.436 4.365 -2.692 1.00 0.00 H new ATOM 0 HG21 THR A 90 21.731 5.349 -4.303 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.069 6.757 -5.166 1.00 0.00 H new ATOM 0 HG23 THR A 90 21.549 6.905 -3.459 1.00 0.00 H new ATOM 1243 N GLY A 91 18.546 9.089 -4.913 1.00 0.00 N ATOM 1244 CA GLY A 91 18.369 9.871 -6.126 1.00 0.00 C ATOM 1245 C GLY A 91 19.623 9.924 -6.981 1.00 0.00 C ATOM 1246 O GLY A 91 20.303 8.911 -7.160 1.00 0.00 O ATOM 0 H GLY A 91 18.641 9.640 -4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.554 9.446 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.074 10.886 -5.859 1.00 0.00 H new ATOM 1250 N GLY A 92 19.926 11.109 -7.514 1.00 0.00 N ATOM 1251 CA GLY A 92 21.101 11.274 -8.355 1.00 0.00 C ATOM 1252 C GLY A 92 20.754 11.325 -9.832 1.00 0.00 C ATOM 1253 O GLY A 92 19.951 10.481 -10.285 1.00 0.00 O ATOM 0 H GLY A 92 19.377 11.958 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 92 21.619 12.191 -8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 92 21.792 10.450 -8.175 1.00 0.00 H new TER 1257 GLY A 92