USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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 18 ASN :FLIP amide:sc= 0.175 F(o=-0.66,f=0.2) USER MOD Set 1.2: A 32 LYS NZ :NH3+ 147:sc= 0.0286 (180deg=-1.14) USER MOD Single : A 16 HIS : no HD1:sc= -0.934 X(o=-0.93,f=-0.69) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.143 F(o=-0.75,f=-0.14) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= -4.07 (180deg=-4.07) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.0237 USER MOD Single : A 47 SER OG : rot 180:sc= -0.543 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.177 F(o=-0.95,f=-0.18) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 172:sc= 0 (180deg=-0.0849) USER MOD Single : A 56 GLN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 64 GLN : amide:sc=-0.00671 X(o=-0.0067,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= -0.642 USER MOD Single : A 74 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.6!) USER MOD Single : A 77 MET CE :methyl 159:sc= -1.72 (180deg=-3.42!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 17 N ASP A 15 -19.029 -2.390 2.790 1.00 0.00 N ATOM 18 CA ASP A 15 -18.152 -2.778 1.688 1.00 0.00 C ATOM 19 C ASP A 15 -16.707 -2.380 1.974 1.00 0.00 C ATOM 20 O ASP A 15 -16.452 -1.383 2.655 1.00 0.00 O ATOM 21 CB ASP A 15 -18.626 -2.136 0.379 1.00 0.00 C ATOM 22 CG ASP A 15 -18.698 -0.620 0.457 1.00 0.00 C ATOM 23 OD1 ASP A 15 -17.668 0.039 0.203 1.00 0.00 O ATOM 24 OD2 ASP A 15 -19.787 -0.094 0.772 1.00 0.00 O ATOM 0 HA ASP A 15 -18.195 -3.862 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.949 -2.422 -0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.610 -2.529 0.123 1.00 0.00 H new ATOM 29 N HIS A 16 -15.766 -3.166 1.448 1.00 0.00 N ATOM 30 CA HIS A 16 -14.341 -2.906 1.638 1.00 0.00 C ATOM 31 C HIS A 16 -13.514 -3.638 0.583 1.00 0.00 C ATOM 32 O HIS A 16 -13.848 -4.759 0.193 1.00 0.00 O ATOM 33 CB HIS A 16 -13.899 -3.352 3.035 1.00 0.00 C ATOM 34 CG HIS A 16 -14.041 -2.295 4.087 1.00 0.00 C ATOM 35 ND1 HIS A 16 -14.456 -2.569 5.371 1.00 0.00 N ATOM 36 CD2 HIS A 16 -13.821 -0.958 4.042 1.00 0.00 C ATOM 37 CE1 HIS A 16 -14.485 -1.451 6.072 1.00 0.00 C ATOM 38 NE2 HIS A 16 -14.105 -0.456 5.289 1.00 0.00 N ATOM 0 H HIS A 16 -15.968 -3.992 0.884 1.00 0.00 H new ATOM 0 HA HIS A 16 -14.177 -1.833 1.535 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.484 -4.223 3.329 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.857 -3.668 2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.485 -0.393 3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.771 -1.364 7.110 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.034 0.523 5.565 1.00 0.00 H new ATOM 47 N ILE A 17 -12.434 -3.005 0.128 1.00 0.00 N ATOM 48 CA ILE A 17 -11.566 -3.611 -0.879 1.00 0.00 C ATOM 49 C ILE A 17 -10.420 -4.384 -0.227 1.00 0.00 C ATOM 50 O ILE A 17 -9.725 -3.872 0.655 1.00 0.00 O ATOM 51 CB ILE A 17 -11.002 -2.561 -1.870 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.884 -1.734 -1.227 1.00 0.00 C ATOM 53 CG2 ILE A 17 -12.115 -1.647 -2.362 1.00 0.00 C ATOM 54 CD1 ILE A 17 -9.345 -0.634 -2.120 1.00 0.00 C ATOM 0 H ILE A 17 -12.141 -2.079 0.438 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.184 -4.308 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.580 -3.096 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.258 -1.290 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.066 -2.399 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.704 -0.915 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.876 -2.241 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.563 -1.130 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.557 -0.093 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.939 -1.072 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.150 0.055 -2.375 1.00 0.00 H new ATOM 66 N ASN A 18 -10.244 -5.628 -0.662 1.00 0.00 N ATOM 67 CA ASN A 18 -9.198 -6.496 -0.125 1.00 0.00 C ATOM 68 C ASN A 18 -7.849 -6.216 -0.789 1.00 0.00 C ATOM 69 O ASN A 18 -7.704 -6.363 -2.005 1.00 0.00 O ATOM 70 CB ASN A 18 -9.579 -7.964 -0.332 1.00 0.00 C ATOM 71 CG ASN A 18 -10.162 -8.593 0.917 1.00 0.00 C ATOM 72 OD1 ASN A 18 -9.308 -8.878 1.893 1.00 0.00 O flip ATOM 73 ND2 ASN A 18 -11.368 -8.813 1.009 1.00 0.00 N flip ATOM 0 H ASN A 18 -10.815 -6.060 -1.388 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.104 -6.289 0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.303 -8.037 -1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.697 -8.525 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.990 -8.579 0.235 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.747 -9.230 1.859 1.00 0.00 H new ATOM 80 N LEU A 19 -6.864 -5.818 0.018 1.00 0.00 N ATOM 81 CA LEU A 19 -5.525 -5.525 -0.490 1.00 0.00 C ATOM 82 C LEU A 19 -4.457 -6.249 0.327 1.00 0.00 C ATOM 83 O LEU A 19 -4.388 -6.102 1.550 1.00 0.00 O ATOM 84 CB LEU A 19 -5.261 -4.016 -0.470 1.00 0.00 C ATOM 85 CG LEU A 19 -5.287 -3.338 -1.843 1.00 0.00 C ATOM 86 CD1 LEU A 19 -6.702 -2.915 -2.206 1.00 0.00 C ATOM 87 CD2 LEU A 19 -4.346 -2.142 -1.867 1.00 0.00 C ATOM 0 H LEU A 19 -6.969 -5.692 1.025 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.474 -5.882 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.006 -3.540 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.288 -3.838 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.945 -4.058 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.699 -2.435 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.348 -3.792 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.075 -2.214 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.378 -1.673 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.655 -1.420 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.329 -2.475 -1.657 1.00 0.00 H new ATOM 99 N LYS A 20 -3.623 -7.028 -0.362 1.00 0.00 N ATOM 100 CA LYS A 20 -2.548 -7.777 0.284 1.00 0.00 C ATOM 101 C LYS A 20 -1.196 -7.154 -0.049 1.00 0.00 C ATOM 102 O LYS A 20 -0.724 -7.245 -1.185 1.00 0.00 O ATOM 103 CB LYS A 20 -2.572 -9.244 -0.161 1.00 0.00 C ATOM 104 CG LYS A 20 -3.848 -9.984 0.215 1.00 0.00 C ATOM 105 CD LYS A 20 -4.911 -9.853 -0.867 1.00 0.00 C ATOM 106 CE LYS A 20 -5.713 -11.137 -1.026 1.00 0.00 C ATOM 107 NZ LYS A 20 -6.467 -11.171 -2.313 1.00 0.00 N ATOM 0 H LYS A 20 -3.673 -7.156 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.701 -7.737 1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.444 -9.287 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.720 -9.761 0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.623 -11.038 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.234 -9.590 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.584 -9.032 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.436 -9.601 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.040 -11.993 -0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.411 -11.233 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.999 -12.062 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.128 -10.369 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.800 -11.105 -3.108 1.00 0.00 H new ATOM 121 N VAL A 21 -0.578 -6.516 0.945 1.00 0.00 N ATOM 122 CA VAL A 21 0.719 -5.871 0.752 1.00 0.00 C ATOM 123 C VAL A 21 1.856 -6.890 0.832 1.00 0.00 C ATOM 124 O VAL A 21 2.118 -7.461 1.893 1.00 0.00 O ATOM 125 CB VAL A 21 0.968 -4.753 1.791 1.00 0.00 C ATOM 126 CG1 VAL A 21 2.233 -3.980 1.448 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.228 -3.813 1.879 1.00 0.00 C ATOM 0 H VAL A 21 -0.954 -6.433 1.889 1.00 0.00 H new ATOM 0 HA VAL A 21 0.699 -5.424 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 21 1.101 -5.220 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.393 -3.197 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.086 -4.659 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.128 -3.529 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.027 -3.036 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.402 -3.353 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.112 -4.376 2.177 1.00 0.00 H new ATOM 137 N ALA A 22 2.527 -7.108 -0.299 1.00 0.00 N ATOM 138 CA ALA A 22 3.637 -8.053 -0.370 1.00 0.00 C ATOM 139 C ALA A 22 4.979 -7.326 -0.338 1.00 0.00 C ATOM 140 O ALA A 22 5.390 -6.716 -1.327 1.00 0.00 O ATOM 141 CB ALA A 22 3.524 -8.905 -1.626 1.00 0.00 C ATOM 0 H ALA A 22 2.319 -6.640 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 22 3.586 -8.704 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.358 -9.606 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.585 -9.459 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.547 -8.262 -2.505 1.00 0.00 H new ATOM 147 N GLY A 23 5.656 -7.395 0.805 1.00 0.00 N ATOM 148 CA GLY A 23 6.945 -6.745 0.953 1.00 0.00 C ATOM 149 C GLY A 23 8.074 -7.558 0.351 1.00 0.00 C ATOM 150 O GLY A 23 8.044 -8.790 0.382 1.00 0.00 O ATOM 0 H GLY A 23 5.332 -7.892 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.912 -5.765 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.145 -6.578 2.011 1.00 0.00 H new ATOM 154 N GLN A 24 9.076 -6.866 -0.193 1.00 0.00 N ATOM 155 CA GLN A 24 10.233 -7.528 -0.806 1.00 0.00 C ATOM 156 C GLN A 24 10.938 -8.476 0.173 1.00 0.00 C ATOM 157 O GLN A 24 11.607 -9.419 -0.251 1.00 0.00 O ATOM 158 CB GLN A 24 11.235 -6.496 -1.335 1.00 0.00 C ATOM 159 CG GLN A 24 11.591 -5.404 -0.333 1.00 0.00 C ATOM 160 CD GLN A 24 13.083 -5.130 -0.267 1.00 0.00 C ATOM 161 OE1 GLN A 24 13.666 -5.073 0.816 1.00 0.00 O ATOM 162 NE2 GLN A 24 13.710 -4.957 -1.426 1.00 0.00 N ATOM 0 H GLN A 24 9.112 -5.847 -0.223 1.00 0.00 H new ATOM 0 HA GLN A 24 9.853 -8.121 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.148 -7.012 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.823 -6.032 -2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.069 -4.486 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.235 -5.694 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.189 -5.012 -2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.712 -4.769 -1.440 1.00 0.00 H new ATOM 171 N ASP A 25 10.790 -8.227 1.478 1.00 0.00 N ATOM 172 CA ASP A 25 11.419 -9.072 2.492 1.00 0.00 C ATOM 173 C ASP A 25 10.484 -10.202 2.939 1.00 0.00 C ATOM 174 O ASP A 25 10.413 -10.529 4.126 1.00 0.00 O ATOM 175 CB ASP A 25 11.841 -8.224 3.696 1.00 0.00 C ATOM 176 CG ASP A 25 13.231 -8.576 4.185 1.00 0.00 C ATOM 177 OD1 ASP A 25 14.212 -8.118 3.562 1.00 0.00 O ATOM 178 OD2 ASP A 25 13.340 -9.312 5.188 1.00 0.00 O ATOM 0 H ASP A 25 10.243 -7.452 1.853 1.00 0.00 H new ATOM 0 HA ASP A 25 12.304 -9.528 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.810 -7.169 3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.126 -8.366 4.506 1.00 0.00 H new ATOM 183 N GLY A 26 9.771 -10.801 1.981 1.00 0.00 N ATOM 184 CA GLY A 26 8.858 -11.891 2.294 1.00 0.00 C ATOM 185 C GLY A 26 7.798 -11.506 3.317 1.00 0.00 C ATOM 186 O GLY A 26 7.455 -12.308 4.188 1.00 0.00 O ATOM 0 H GLY A 26 9.811 -10.549 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.368 -12.221 1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.429 -12.738 2.673 1.00 0.00 H new ATOM 190 N SER A 27 7.281 -10.279 3.215 1.00 0.00 N ATOM 191 CA SER A 27 6.261 -9.794 4.144 1.00 0.00 C ATOM 192 C SER A 27 4.874 -9.843 3.507 1.00 0.00 C ATOM 193 O SER A 27 4.601 -9.129 2.541 1.00 0.00 O ATOM 194 CB SER A 27 6.581 -8.363 4.593 1.00 0.00 C ATOM 195 OG SER A 27 5.847 -8.017 5.757 1.00 0.00 O ATOM 0 H SER A 27 7.552 -9.605 2.499 1.00 0.00 H new ATOM 0 HA SER A 27 6.263 -10.448 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.649 -8.271 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.345 -7.665 3.790 1.00 0.00 H new ATOM 0 HG SER A 27 6.070 -7.101 6.024 1.00 0.00 H new ATOM 201 N VAL A 28 4.002 -10.690 4.055 1.00 0.00 N ATOM 202 CA VAL A 28 2.642 -10.832 3.543 1.00 0.00 C ATOM 203 C VAL A 28 1.612 -10.541 4.636 1.00 0.00 C ATOM 204 O VAL A 28 1.314 -11.402 5.467 1.00 0.00 O ATOM 205 CB VAL A 28 2.395 -12.245 2.970 1.00 0.00 C ATOM 206 CG1 VAL A 28 1.047 -12.307 2.263 1.00 0.00 C ATOM 207 CG2 VAL A 28 3.520 -12.648 2.024 1.00 0.00 C ATOM 0 H VAL A 28 4.215 -11.288 4.854 1.00 0.00 H new ATOM 0 HA VAL A 28 2.528 -10.105 2.739 1.00 0.00 H new ATOM 0 HB VAL A 28 2.380 -12.953 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.890 -13.310 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.253 -12.069 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.032 -11.586 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.326 -13.646 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.573 -11.938 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.467 -12.648 2.564 1.00 0.00 H new ATOM 217 N VAL A 29 1.075 -9.321 4.628 1.00 0.00 N ATOM 218 CA VAL A 29 0.079 -8.910 5.616 1.00 0.00 C ATOM 219 C VAL A 29 -1.173 -8.356 4.936 1.00 0.00 C ATOM 220 O VAL A 29 -1.083 -7.554 4.004 1.00 0.00 O ATOM 221 CB VAL A 29 0.641 -7.843 6.584 1.00 0.00 C ATOM 222 CG1 VAL A 29 -0.349 -7.552 7.705 1.00 0.00 C ATOM 223 CG2 VAL A 29 1.984 -8.283 7.156 1.00 0.00 C ATOM 0 H VAL A 29 1.314 -8.600 3.947 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.182 -9.801 6.187 1.00 0.00 H new ATOM 0 HB VAL A 29 0.795 -6.924 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.069 -6.799 8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.282 -7.183 7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.543 -8.466 8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.359 -7.516 7.834 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.859 -9.219 7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.696 -8.429 6.343 1.00 0.00 H new ATOM 233 N GLN A 30 -2.338 -8.791 5.414 1.00 0.00 N ATOM 234 CA GLN A 30 -3.616 -8.345 4.862 1.00 0.00 C ATOM 235 C GLN A 30 -4.051 -7.020 5.487 1.00 0.00 C ATOM 236 O GLN A 30 -3.738 -6.737 6.646 1.00 0.00 O ATOM 237 CB GLN A 30 -4.695 -9.409 5.092 1.00 0.00 C ATOM 238 CG GLN A 30 -5.847 -9.342 4.099 1.00 0.00 C ATOM 239 CD GLN A 30 -6.672 -10.618 4.069 1.00 0.00 C ATOM 240 OE1 GLN A 30 -6.831 -11.293 5.087 1.00 0.00 O ATOM 241 NE2 GLN A 30 -7.204 -10.957 2.899 1.00 0.00 N ATOM 0 H GLN A 30 -2.423 -9.454 6.185 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.485 -8.194 3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.236 -10.396 5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.091 -9.299 6.101 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.493 -8.503 4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.451 -9.147 3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.049 -10.371 2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.768 -11.804 2.821 1.00 0.00 H new ATOM 250 N PHE A 31 -4.776 -6.215 4.712 1.00 0.00 N ATOM 251 CA PHE A 31 -5.261 -4.921 5.184 1.00 0.00 C ATOM 252 C PHE A 31 -6.519 -4.498 4.427 1.00 0.00 C ATOM 253 O PHE A 31 -6.570 -4.572 3.196 1.00 0.00 O ATOM 254 CB PHE A 31 -4.172 -3.854 5.024 1.00 0.00 C ATOM 255 CG PHE A 31 -3.766 -3.203 6.319 1.00 0.00 C ATOM 256 CD1 PHE A 31 -4.650 -2.384 7.007 1.00 0.00 C ATOM 257 CD2 PHE A 31 -2.501 -3.408 6.846 1.00 0.00 C ATOM 258 CE1 PHE A 31 -4.278 -1.784 8.195 1.00 0.00 C ATOM 259 CE2 PHE A 31 -2.124 -2.810 8.034 1.00 0.00 C ATOM 260 CZ PHE A 31 -3.013 -1.998 8.709 1.00 0.00 C ATOM 0 H PHE A 31 -5.040 -6.438 3.752 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.512 -5.020 6.240 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.294 -4.310 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.527 -3.086 4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.640 -2.214 6.610 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.801 -4.043 6.322 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.975 -1.149 8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.135 -2.978 8.434 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.720 -1.530 9.638 1.00 0.00 H new ATOM 270 N LYS A 32 -7.531 -4.053 5.172 1.00 0.00 N ATOM 271 CA LYS A 32 -8.793 -3.611 4.579 1.00 0.00 C ATOM 272 C LYS A 32 -8.791 -2.100 4.368 1.00 0.00 C ATOM 273 O LYS A 32 -8.145 -1.362 5.115 1.00 0.00 O ATOM 274 CB LYS A 32 -9.970 -4.015 5.471 1.00 0.00 C ATOM 275 CG LYS A 32 -11.217 -4.415 4.696 1.00 0.00 C ATOM 276 CD LYS A 32 -11.471 -5.912 4.779 1.00 0.00 C ATOM 277 CE LYS A 32 -10.684 -6.675 3.721 1.00 0.00 C ATOM 278 NZ LYS A 32 -9.261 -6.890 4.117 1.00 0.00 N ATOM 0 H LYS A 32 -7.501 -3.989 6.190 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.902 -4.096 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.665 -4.847 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.215 -3.184 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.079 -3.877 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.107 -4.121 3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.195 -6.274 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.536 -6.108 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.159 -7.640 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.718 -6.126 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.928 -7.798 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.675 -6.119 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.188 -6.903 5.154 1.00 0.00 H new ATOM 292 N ILE A 33 -9.509 -1.649 3.343 1.00 0.00 N ATOM 293 CA ILE A 33 -9.582 -0.227 3.027 1.00 0.00 C ATOM 294 C ILE A 33 -10.842 0.107 2.224 1.00 0.00 C ATOM 295 O ILE A 33 -11.331 -0.712 1.444 1.00 0.00 O ATOM 296 CB ILE A 33 -8.325 0.228 2.243 1.00 0.00 C ATOM 297 CG1 ILE A 33 -8.380 1.729 1.941 1.00 0.00 C ATOM 298 CG2 ILE A 33 -8.169 -0.573 0.958 1.00 0.00 C ATOM 299 CD1 ILE A 33 -8.309 2.599 3.177 1.00 0.00 C ATOM 0 H ILE A 33 -10.048 -2.248 2.718 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.626 0.312 3.973 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.453 0.041 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.555 1.988 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.303 1.949 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.280 -0.236 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.068 -1.631 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.047 -0.426 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.353 3.649 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.148 2.368 3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.374 2.408 3.704 1.00 0.00 H new ATOM 311 N LYS A 34 -11.357 1.321 2.425 1.00 0.00 N ATOM 312 CA LYS A 34 -12.556 1.784 1.726 1.00 0.00 C ATOM 313 C LYS A 34 -12.230 2.181 0.285 1.00 0.00 C ATOM 314 O LYS A 34 -11.063 2.346 -0.075 1.00 0.00 O ATOM 315 CB LYS A 34 -13.177 2.977 2.465 1.00 0.00 C ATOM 316 CG LYS A 34 -12.188 4.094 2.766 1.00 0.00 C ATOM 317 CD LYS A 34 -12.894 5.375 3.182 1.00 0.00 C ATOM 318 CE LYS A 34 -12.132 6.097 4.283 1.00 0.00 C ATOM 319 NZ LYS A 34 -12.723 7.429 4.595 1.00 0.00 N ATOM 0 H LYS A 34 -10.960 2.004 3.070 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.272 0.962 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.994 3.379 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.611 2.627 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.512 3.777 3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.576 4.286 1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.998 6.032 2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.901 5.141 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.129 5.483 5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.093 6.224 3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.172 7.885 5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.703 8.026 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.707 7.307 4.909 1.00 0.00 H new ATOM 333 N ARG A 35 -13.269 2.337 -0.535 1.00 0.00 N ATOM 334 CA ARG A 35 -13.095 2.718 -1.935 1.00 0.00 C ATOM 335 C ARG A 35 -13.385 4.209 -2.142 1.00 0.00 C ATOM 336 O ARG A 35 -14.129 4.588 -3.049 1.00 0.00 O ATOM 337 CB ARG A 35 -14.004 1.865 -2.828 1.00 0.00 C ATOM 338 CG ARG A 35 -13.637 1.922 -4.304 1.00 0.00 C ATOM 339 CD ARG A 35 -14.754 2.534 -5.136 1.00 0.00 C ATOM 340 NE ARG A 35 -15.726 1.535 -5.580 1.00 0.00 N ATOM 341 CZ ARG A 35 -16.664 1.765 -6.502 1.00 0.00 C ATOM 342 NH1 ARG A 35 -16.779 2.967 -7.062 1.00 0.00 N ATOM 343 NH2 ARG A 35 -17.494 0.791 -6.863 1.00 0.00 N ATOM 0 H ARG A 35 -14.240 2.205 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.056 2.539 -2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.961 0.829 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.035 2.197 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.726 2.507 -4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.423 0.916 -4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.264 3.298 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.325 3.032 -6.005 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.685 0.606 -5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.148 3.720 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.498 3.135 -7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.414 -0.132 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.211 0.967 -7.567 1.00 0.00 H new ATOM 357 N HIS A 36 -12.789 5.051 -1.296 1.00 0.00 N ATOM 358 CA HIS A 36 -12.977 6.501 -1.384 1.00 0.00 C ATOM 359 C HIS A 36 -11.799 7.253 -0.749 1.00 0.00 C ATOM 360 O HIS A 36 -11.973 8.336 -0.185 1.00 0.00 O ATOM 361 CB HIS A 36 -14.295 6.907 -0.707 1.00 0.00 C ATOM 362 CG HIS A 36 -15.379 7.301 -1.668 1.00 0.00 C ATOM 363 ND1 HIS A 36 -15.456 7.191 -3.017 1.00 0.00 N flip ATOM 364 CD2 HIS A 36 -16.565 7.882 -1.268 1.00 0.00 C flip ATOM 365 CE1 HIS A 36 -16.671 7.703 -3.401 1.00 0.00 C flip ATOM 366 NE2 HIS A 36 -17.321 8.114 -2.328 1.00 0.00 N flip ATOM 0 H HIS A 36 -12.171 4.754 -0.541 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.021 6.773 -2.439 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.649 6.076 -0.097 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.103 7.740 -0.031 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -16.834 8.112 -0.248 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -17.036 7.760 -4.416 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -18.249 8.538 -2.318 1.00 0.00 H new ATOM 375 N THR A 37 -10.599 6.673 -0.849 1.00 0.00 N ATOM 376 CA THR A 37 -9.394 7.285 -0.288 1.00 0.00 C ATOM 377 C THR A 37 -8.150 6.852 -1.063 1.00 0.00 C ATOM 378 O THR A 37 -8.098 5.743 -1.601 1.00 0.00 O ATOM 379 CB THR A 37 -9.240 6.924 1.196 1.00 0.00 C ATOM 380 OG1 THR A 37 -9.769 5.637 1.470 1.00 0.00 O ATOM 381 CG2 THR A 37 -9.923 7.908 2.122 1.00 0.00 C ATOM 0 H THR A 37 -10.438 5.780 -1.314 1.00 0.00 H new ATOM 0 HA THR A 37 -9.499 8.366 -0.376 1.00 0.00 H new ATOM 0 HB THR A 37 -8.167 6.950 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.656 5.433 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.777 7.596 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.495 8.900 1.978 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.990 7.937 1.899 1.00 0.00 H new ATOM 389 N PRO A 38 -7.126 7.728 -1.131 1.00 0.00 N ATOM 390 CA PRO A 38 -5.876 7.437 -1.847 1.00 0.00 C ATOM 391 C PRO A 38 -5.029 6.374 -1.148 1.00 0.00 C ATOM 392 O PRO A 38 -5.313 5.991 -0.011 1.00 0.00 O ATOM 393 CB PRO A 38 -5.147 8.786 -1.848 1.00 0.00 C ATOM 394 CG PRO A 38 -5.677 9.506 -0.657 1.00 0.00 C ATOM 395 CD PRO A 38 -7.110 9.073 -0.518 1.00 0.00 C ATOM 0 HA PRO A 38 -6.065 7.034 -2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.067 8.652 -1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.343 9.341 -2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.105 9.257 0.237 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.606 10.586 -0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.420 9.042 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.787 9.756 -1.031 1.00 0.00 H new ATOM 403 N LEU A 39 -3.980 5.909 -1.833 1.00 0.00 N ATOM 404 CA LEU A 39 -3.081 4.894 -1.272 1.00 0.00 C ATOM 405 C LEU A 39 -2.453 5.364 0.041 1.00 0.00 C ATOM 406 O LEU A 39 -2.028 4.542 0.855 1.00 0.00 O ATOM 407 CB LEU A 39 -1.983 4.520 -2.270 1.00 0.00 C ATOM 408 CG LEU A 39 -2.256 3.241 -3.062 1.00 0.00 C ATOM 409 CD1 LEU A 39 -1.240 3.072 -4.181 1.00 0.00 C ATOM 410 CD2 LEU A 39 -2.242 2.027 -2.140 1.00 0.00 C ATOM 0 H LEU A 39 -3.732 6.217 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.685 4.010 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.850 5.345 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.043 4.405 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.246 3.323 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.454 2.156 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.300 3.924 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.238 3.015 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.438 1.126 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.266 1.945 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.012 2.141 -1.377 1.00 0.00 H new ATOM 422 N SER A 40 -2.408 6.685 0.246 1.00 0.00 N ATOM 423 CA SER A 40 -1.852 7.263 1.472 1.00 0.00 C ATOM 424 C SER A 40 -2.453 6.592 2.709 1.00 0.00 C ATOM 425 O SER A 40 -1.752 6.339 3.688 1.00 0.00 O ATOM 426 CB SER A 40 -2.127 8.770 1.520 1.00 0.00 C ATOM 427 OG SER A 40 -1.172 9.443 2.323 1.00 0.00 O ATOM 0 H SER A 40 -2.751 7.374 -0.423 1.00 0.00 H new ATOM 0 HA SER A 40 -0.775 7.093 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.107 9.178 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.127 8.947 1.916 1.00 0.00 H new ATOM 0 HG SER A 40 -1.371 10.402 2.334 1.00 0.00 H new ATOM 433 N LYS A 41 -3.757 6.300 2.652 1.00 0.00 N ATOM 434 CA LYS A 41 -4.453 5.650 3.764 1.00 0.00 C ATOM 435 C LYS A 41 -3.821 4.296 4.096 1.00 0.00 C ATOM 436 O LYS A 41 -3.570 3.992 5.263 1.00 0.00 O ATOM 437 CB LYS A 41 -5.938 5.465 3.432 1.00 0.00 C ATOM 438 CG LYS A 41 -6.837 6.514 4.067 1.00 0.00 C ATOM 439 CD LYS A 41 -7.362 6.052 5.418 1.00 0.00 C ATOM 440 CE LYS A 41 -6.573 6.665 6.568 1.00 0.00 C ATOM 441 NZ LYS A 41 -6.218 5.658 7.610 1.00 0.00 N ATOM 0 H LYS A 41 -4.350 6.504 1.848 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.360 6.296 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.067 5.495 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.256 4.477 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.283 7.444 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.675 6.727 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.413 6.324 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.307 4.965 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.662 7.119 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.159 7.464 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.682 6.121 8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.087 5.242 8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.637 4.908 7.184 1.00 0.00 H new ATOM 455 N LEU A 42 -3.559 3.493 3.063 1.00 0.00 N ATOM 456 CA LEU A 42 -2.947 2.178 3.250 1.00 0.00 C ATOM 457 C LEU A 42 -1.482 2.317 3.668 1.00 0.00 C ATOM 458 O LEU A 42 -1.041 1.668 4.616 1.00 0.00 O ATOM 459 CB LEU A 42 -3.047 1.346 1.967 1.00 0.00 C ATOM 460 CG LEU A 42 -2.473 -0.073 2.070 1.00 0.00 C ATOM 461 CD1 LEU A 42 -3.513 -1.035 2.628 1.00 0.00 C ATOM 462 CD2 LEU A 42 -1.967 -0.549 0.715 1.00 0.00 C ATOM 0 H LEU A 42 -3.761 3.730 2.092 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.491 1.665 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.095 1.278 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.528 1.875 1.167 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.628 -0.050 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.085 -2.036 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.818 -0.705 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.382 -1.054 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.564 -1.557 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.790 -0.553 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.184 0.123 0.363 1.00 0.00 H new ATOM 474 N MET A 43 -0.737 3.167 2.957 1.00 0.00 N ATOM 475 CA MET A 43 0.679 3.390 3.260 1.00 0.00 C ATOM 476 C MET A 43 0.865 3.875 4.698 1.00 0.00 C ATOM 477 O MET A 43 1.756 3.406 5.404 1.00 0.00 O ATOM 478 CB MET A 43 1.290 4.404 2.287 1.00 0.00 C ATOM 479 CG MET A 43 2.772 4.181 2.027 1.00 0.00 C ATOM 480 SD MET A 43 3.820 5.336 2.931 1.00 0.00 S ATOM 481 CE MET A 43 4.888 5.919 1.617 1.00 0.00 C ATOM 0 H MET A 43 -1.090 3.711 2.169 1.00 0.00 H new ATOM 0 HA MET A 43 1.194 2.436 3.146 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.752 4.356 1.340 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.146 5.409 2.685 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.036 3.161 2.308 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.968 4.279 0.959 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.596 6.644 2.018 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.433 5.077 1.191 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.286 6.392 0.841 1.00 0.00 H new ATOM 491 N LYS A 44 0.015 4.811 5.127 1.00 0.00 N ATOM 492 CA LYS A 44 0.086 5.351 6.484 1.00 0.00 C ATOM 493 C LYS A 44 -0.122 4.247 7.524 1.00 0.00 C ATOM 494 O LYS A 44 0.671 4.108 8.454 1.00 0.00 O ATOM 495 CB LYS A 44 -0.961 6.454 6.683 1.00 0.00 C ATOM 496 CG LYS A 44 -0.455 7.847 6.342 1.00 0.00 C ATOM 497 CD LYS A 44 -1.233 8.923 7.083 1.00 0.00 C ATOM 498 CE LYS A 44 -0.458 10.230 7.135 1.00 0.00 C ATOM 499 NZ LYS A 44 -0.836 11.057 8.315 1.00 0.00 N ATOM 0 H LYS A 44 -0.729 5.209 4.554 1.00 0.00 H new ATOM 0 HA LYS A 44 1.080 5.777 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.831 6.232 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.295 6.442 7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.602 7.923 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.538 8.012 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.192 9.086 6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.449 8.585 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.610 10.017 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.641 10.796 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.284 11.939 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.850 11.283 8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.638 10.528 9.188 1.00 0.00 H new ATOM 513 N ALA A 45 -1.194 3.468 7.358 1.00 0.00 N ATOM 514 CA ALA A 45 -1.509 2.377 8.283 1.00 0.00 C ATOM 515 C ALA A 45 -0.478 1.250 8.200 1.00 0.00 C ATOM 516 O ALA A 45 -0.016 0.751 9.225 1.00 0.00 O ATOM 517 CB ALA A 45 -2.904 1.833 8.009 1.00 0.00 C ATOM 0 H ALA A 45 -1.858 3.573 6.591 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.477 2.785 9.293 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.122 1.023 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.637 2.629 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.953 1.456 6.987 1.00 0.00 H new ATOM 523 N TYR A 46 -0.125 0.854 6.977 1.00 0.00 N ATOM 524 CA TYR A 46 0.851 -0.216 6.759 1.00 0.00 C ATOM 525 C TYR A 46 2.221 0.157 7.333 1.00 0.00 C ATOM 526 O TYR A 46 2.859 -0.656 8.004 1.00 0.00 O ATOM 527 CB TYR A 46 0.975 -0.520 5.262 1.00 0.00 C ATOM 528 CG TYR A 46 1.910 -1.666 4.940 1.00 0.00 C ATOM 529 CD1 TYR A 46 1.550 -2.981 5.209 1.00 0.00 C ATOM 530 CD2 TYR A 46 3.152 -1.433 4.362 1.00 0.00 C ATOM 531 CE1 TYR A 46 2.400 -4.030 4.911 1.00 0.00 C ATOM 532 CE2 TYR A 46 4.007 -2.475 4.062 1.00 0.00 C ATOM 533 CZ TYR A 46 3.626 -3.773 4.338 1.00 0.00 C ATOM 534 OH TYR A 46 4.476 -4.814 4.039 1.00 0.00 O ATOM 0 H TYR A 46 -0.501 1.259 6.120 1.00 0.00 H new ATOM 0 HA TYR A 46 0.496 -1.106 7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.014 -0.750 4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.324 0.375 4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.590 -3.187 5.659 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.454 -0.419 4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.104 -5.046 5.126 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.969 -2.276 3.614 1.00 0.00 H new ATOM 0 HH TYR A 46 3.951 -5.616 3.833 1.00 0.00 H new ATOM 544 N SER A 47 2.663 1.388 7.068 1.00 0.00 N ATOM 545 CA SER A 47 3.956 1.867 7.563 1.00 0.00 C ATOM 546 C SER A 47 3.924 2.057 9.081 1.00 0.00 C ATOM 547 O SER A 47 4.905 1.774 9.772 1.00 0.00 O ATOM 548 CB SER A 47 4.338 3.185 6.881 1.00 0.00 C ATOM 549 OG SER A 47 5.713 3.478 7.068 1.00 0.00 O ATOM 0 H SER A 47 2.146 2.071 6.514 1.00 0.00 H new ATOM 0 HA SER A 47 4.706 1.113 7.323 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.118 3.123 5.815 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.732 3.996 7.285 1.00 0.00 H new ATOM 0 HG SER A 47 5.931 4.323 6.622 1.00 0.00 H new ATOM 555 N GLU A 48 2.788 2.537 9.588 1.00 0.00 N ATOM 556 CA GLU A 48 2.615 2.768 11.021 1.00 0.00 C ATOM 557 C GLU A 48 2.473 1.446 11.781 1.00 0.00 C ATOM 558 O GLU A 48 2.981 1.305 12.895 1.00 0.00 O ATOM 559 CB GLU A 48 1.387 3.650 11.263 1.00 0.00 C ATOM 560 CG GLU A 48 1.267 4.166 12.690 1.00 0.00 C ATOM 561 CD GLU A 48 0.523 5.488 12.780 1.00 0.00 C ATOM 562 OE1 GLU A 48 -0.460 5.676 12.029 1.00 0.00 O ATOM 563 OE2 GLU A 48 0.923 6.336 13.606 1.00 0.00 O ATOM 0 H GLU A 48 1.972 2.774 9.024 1.00 0.00 H new ATOM 0 HA GLU A 48 3.503 3.277 11.394 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.423 4.500 10.582 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.490 3.082 11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.751 3.422 13.298 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.265 4.287 13.112 1.00 0.00 H new ATOM 570 N ARG A 49 1.781 0.482 11.172 1.00 0.00 N ATOM 571 CA ARG A 49 1.573 -0.828 11.789 1.00 0.00 C ATOM 572 C ARG A 49 2.897 -1.573 11.985 1.00 0.00 C ATOM 573 O ARG A 49 3.056 -2.316 12.954 1.00 0.00 O ATOM 574 CB ARG A 49 0.624 -1.676 10.937 1.00 0.00 C ATOM 575 CG ARG A 49 -0.037 -2.810 11.705 1.00 0.00 C ATOM 576 CD ARG A 49 0.144 -4.142 10.992 1.00 0.00 C ATOM 577 NE ARG A 49 -0.128 -5.280 11.872 1.00 0.00 N ATOM 578 CZ ARG A 49 0.285 -6.528 11.632 1.00 0.00 C ATOM 579 NH1 ARG A 49 0.981 -6.811 10.533 1.00 0.00 N ATOM 580 NH2 ARG A 49 -0.003 -7.498 12.494 1.00 0.00 N ATOM 0 H ARG A 49 1.355 0.584 10.251 1.00 0.00 H new ATOM 0 HA ARG A 49 1.127 -0.661 12.769 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.150 -1.032 10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.179 -2.093 10.096 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.389 -2.871 12.706 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.100 -2.600 11.823 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.521 -4.184 10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.163 -4.214 10.612 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.666 -5.110 12.721 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.203 -6.072 9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.292 -7.767 10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.538 -7.289 13.337 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.311 -8.451 12.313 1.00 0.00 H new ATOM 594 N GLN A 50 3.840 -1.375 11.063 1.00 0.00 N ATOM 595 CA GLN A 50 5.142 -2.036 11.146 1.00 0.00 C ATOM 596 C GLN A 50 6.078 -1.301 12.105 1.00 0.00 C ATOM 597 O GLN A 50 6.321 -1.762 13.220 1.00 0.00 O ATOM 598 CB GLN A 50 5.787 -2.129 9.760 1.00 0.00 C ATOM 599 CG GLN A 50 5.173 -3.194 8.869 1.00 0.00 C ATOM 600 CD GLN A 50 5.998 -3.446 7.624 1.00 0.00 C ATOM 601 OE1 GLN A 50 5.699 -2.713 6.557 1.00 0.00 O flip ATOM 602 NE2 GLN A 50 6.898 -4.285 7.620 1.00 0.00 N flip ATOM 0 H GLN A 50 3.727 -0.765 10.253 1.00 0.00 H new ATOM 0 HA GLN A 50 4.977 -3.042 11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.703 -1.162 9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.851 -2.336 9.878 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.074 -4.123 9.431 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.167 -2.888 8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.094 -4.826 8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.448 -4.439 6.775 1.00 0.00 H new ATOM 611 N GLY A 51 6.605 -0.161 11.657 1.00 0.00 N ATOM 612 CA GLY A 51 7.514 0.619 12.479 1.00 0.00 C ATOM 613 C GLY A 51 8.510 1.399 11.645 1.00 0.00 C ATOM 614 O GLY A 51 9.707 1.407 11.940 1.00 0.00 O ATOM 0 H GLY A 51 6.417 0.236 10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.941 1.309 13.098 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.051 -0.046 13.156 1.00 0.00 H new ATOM 618 N LEU A 52 8.012 2.055 10.598 1.00 0.00 N ATOM 619 CA LEU A 52 8.855 2.844 9.711 1.00 0.00 C ATOM 620 C LEU A 52 8.495 4.325 9.818 1.00 0.00 C ATOM 621 O LEU A 52 7.884 4.755 10.798 1.00 0.00 O ATOM 622 CB LEU A 52 8.705 2.358 8.260 1.00 0.00 C ATOM 623 CG LEU A 52 8.644 0.838 8.076 1.00 0.00 C ATOM 624 CD1 LEU A 52 8.165 0.488 6.674 1.00 0.00 C ATOM 625 CD2 LEU A 52 10.005 0.212 8.349 1.00 0.00 C ATOM 0 H LEU A 52 7.024 2.053 10.345 1.00 0.00 H new ATOM 0 HA LEU A 52 9.895 2.717 10.012 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.798 2.794 7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.542 2.744 7.678 1.00 0.00 H new ATOM 0 HG LEU A 52 7.930 0.433 8.793 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.128 -0.596 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.170 0.903 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.854 0.905 5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.943 -0.868 8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.740 0.623 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.308 0.432 9.373 1.00 0.00 H new ATOM 637 N SER A 53 8.877 5.099 8.807 1.00 0.00 N ATOM 638 CA SER A 53 8.596 6.531 8.784 1.00 0.00 C ATOM 639 C SER A 53 8.170 6.980 7.389 1.00 0.00 C ATOM 640 O SER A 53 8.096 6.172 6.463 1.00 0.00 O ATOM 641 CB SER A 53 9.828 7.320 9.235 1.00 0.00 C ATOM 642 OG SER A 53 9.458 8.414 10.057 1.00 0.00 O ATOM 0 H SER A 53 9.384 4.757 7.990 1.00 0.00 H new ATOM 0 HA SER A 53 7.775 6.727 9.474 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.505 6.663 9.781 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.371 7.683 8.363 1.00 0.00 H new ATOM 0 HG SER A 53 10.262 8.902 10.334 1.00 0.00 H new ATOM 648 N MET A 54 7.897 8.275 7.245 1.00 0.00 N ATOM 649 CA MET A 54 7.485 8.832 5.959 1.00 0.00 C ATOM 650 C MET A 54 8.661 9.517 5.252 1.00 0.00 C ATOM 651 O MET A 54 8.470 10.478 4.502 1.00 0.00 O ATOM 652 CB MET A 54 6.334 9.827 6.150 1.00 0.00 C ATOM 653 CG MET A 54 5.228 9.328 7.070 1.00 0.00 C ATOM 654 SD MET A 54 3.604 9.963 6.612 1.00 0.00 S ATOM 655 CE MET A 54 3.194 10.923 8.068 1.00 0.00 C ATOM 0 H MET A 54 7.954 8.957 8.001 1.00 0.00 H new ATOM 0 HA MET A 54 7.141 8.009 5.332 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.735 10.757 6.553 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.904 10.060 5.176 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.207 8.238 7.049 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.453 9.622 8.095 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.284 11.493 7.883 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.037 10.253 8.913 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.011 11.608 8.294 1.00 0.00 H new ATOM 665 N ARG A 55 9.878 9.017 5.490 1.00 0.00 N ATOM 666 CA ARG A 55 11.080 9.582 4.873 1.00 0.00 C ATOM 667 C ARG A 55 11.879 8.522 4.102 1.00 0.00 C ATOM 668 O ARG A 55 12.917 8.835 3.513 1.00 0.00 O ATOM 669 CB ARG A 55 11.970 10.228 5.939 1.00 0.00 C ATOM 670 CG ARG A 55 11.636 11.687 6.208 1.00 0.00 C ATOM 671 CD ARG A 55 12.800 12.605 5.864 1.00 0.00 C ATOM 672 NE ARG A 55 13.412 13.191 7.058 1.00 0.00 N ATOM 673 CZ ARG A 55 12.816 14.092 7.845 1.00 0.00 C ATOM 674 NH1 ARG A 55 11.583 14.517 7.571 1.00 0.00 N ATOM 675 NH2 ARG A 55 13.454 14.569 8.910 1.00 0.00 N ATOM 0 H ARG A 55 10.055 8.223 6.105 1.00 0.00 H new ATOM 0 HA ARG A 55 10.755 10.340 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.877 9.665 6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.011 10.154 5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.762 11.974 5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.372 11.812 7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.552 12.043 5.310 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.451 13.402 5.208 1.00 0.00 H new ATOM 0 HE ARG A 55 14.355 12.892 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.088 14.154 6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.134 15.205 8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.398 14.247 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.000 15.257 9.511 1.00 0.00 H new ATOM 689 N GLN A 56 11.392 7.277 4.090 1.00 0.00 N ATOM 690 CA GLN A 56 12.063 6.201 3.376 1.00 0.00 C ATOM 691 C GLN A 56 11.091 5.054 3.115 1.00 0.00 C ATOM 692 O GLN A 56 11.115 4.028 3.797 1.00 0.00 O ATOM 693 CB GLN A 56 13.271 5.704 4.179 1.00 0.00 C ATOM 694 CG GLN A 56 14.220 4.837 3.368 1.00 0.00 C ATOM 695 CD GLN A 56 14.758 3.657 4.156 1.00 0.00 C ATOM 696 OE1 GLN A 56 15.955 3.575 4.429 1.00 0.00 O ATOM 697 NE2 GLN A 56 13.876 2.734 4.524 1.00 0.00 N ATOM 0 H GLN A 56 10.536 6.996 4.568 1.00 0.00 H new ATOM 0 HA GLN A 56 12.415 6.583 2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.818 6.563 4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.917 5.136 5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.702 4.470 2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.054 5.446 3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.892 2.841 4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.183 1.918 5.054 1.00 0.00 H new ATOM 706 N ILE A 57 10.242 5.249 2.112 1.00 0.00 N ATOM 707 CA ILE A 57 9.244 4.252 1.720 1.00 0.00 C ATOM 708 C ILE A 57 9.049 4.251 0.204 1.00 0.00 C ATOM 709 O ILE A 57 9.317 5.250 -0.466 1.00 0.00 O ATOM 710 CB ILE A 57 7.871 4.515 2.387 1.00 0.00 C ATOM 711 CG1 ILE A 57 8.027 4.856 3.873 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.948 3.316 2.214 1.00 0.00 C ATOM 713 CD1 ILE A 57 8.406 3.671 4.739 1.00 0.00 C ATOM 0 H ILE A 57 10.223 6.098 1.548 1.00 0.00 H new ATOM 0 HA ILE A 57 9.622 3.286 2.054 1.00 0.00 H new ATOM 0 HB ILE A 57 7.424 5.375 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.787 5.630 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.090 5.276 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.990 3.523 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.792 3.127 1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.401 2.439 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.497 3.993 5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.635 2.904 4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.358 3.263 4.401 1.00 0.00 H new ATOM 725 N ARG A 58 8.568 3.127 -0.327 1.00 0.00 N ATOM 726 CA ARG A 58 8.325 2.998 -1.760 1.00 0.00 C ATOM 727 C ARG A 58 7.324 1.882 -2.046 1.00 0.00 C ATOM 728 O ARG A 58 7.501 0.747 -1.605 1.00 0.00 O ATOM 729 CB ARG A 58 9.637 2.728 -2.504 1.00 0.00 C ATOM 730 CG ARG A 58 9.530 2.866 -4.016 1.00 0.00 C ATOM 731 CD ARG A 58 8.954 4.216 -4.421 1.00 0.00 C ATOM 732 NE ARG A 58 9.554 4.720 -5.657 1.00 0.00 N ATOM 733 CZ ARG A 58 10.743 5.328 -5.720 1.00 0.00 C ATOM 734 NH1 ARG A 58 11.476 5.497 -4.620 1.00 0.00 N ATOM 735 NH2 ARG A 58 11.203 5.764 -6.889 1.00 0.00 N ATOM 0 H ARG A 58 8.340 2.294 0.215 1.00 0.00 H new ATOM 0 HA ARG A 58 7.904 3.939 -2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.398 3.418 -2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.978 1.721 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.516 2.743 -4.463 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.900 2.069 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.876 4.125 -4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.118 4.935 -3.619 1.00 0.00 H new ATOM 0 HE ARG A 58 9.032 4.600 -6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.131 5.161 -3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.382 5.962 -4.677 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.649 5.634 -7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.110 6.228 -6.939 1.00 0.00 H new ATOM 749 N PHE A 59 6.274 2.210 -2.791 1.00 0.00 N ATOM 750 CA PHE A 59 5.255 1.230 -3.140 1.00 0.00 C ATOM 751 C PHE A 59 5.286 0.946 -4.636 1.00 0.00 C ATOM 752 O PHE A 59 5.547 1.842 -5.441 1.00 0.00 O ATOM 753 CB PHE A 59 3.867 1.721 -2.718 1.00 0.00 C ATOM 754 CG PHE A 59 3.296 0.961 -1.550 1.00 0.00 C ATOM 755 CD1 PHE A 59 2.727 -0.291 -1.732 1.00 0.00 C ATOM 756 CD2 PHE A 59 3.331 1.497 -0.272 1.00 0.00 C ATOM 757 CE1 PHE A 59 2.205 -0.992 -0.661 1.00 0.00 C ATOM 758 CE2 PHE A 59 2.811 0.798 0.803 1.00 0.00 C ATOM 759 CZ PHE A 59 2.247 -0.447 0.607 1.00 0.00 C ATOM 0 H PHE A 59 6.107 3.145 -3.164 1.00 0.00 H new ATOM 0 HA PHE A 59 5.468 0.305 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.926 2.779 -2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.186 1.637 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.691 -0.723 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.769 2.471 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.764 -1.966 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.846 1.226 1.794 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.839 -0.994 1.444 1.00 0.00 H new ATOM 769 N ARG A 60 5.029 -0.305 -5.002 1.00 0.00 N ATOM 770 CA ARG A 60 5.037 -0.706 -6.403 1.00 0.00 C ATOM 771 C ARG A 60 3.787 -1.509 -6.752 1.00 0.00 C ATOM 772 O ARG A 60 3.377 -2.396 -6.001 1.00 0.00 O ATOM 773 CB ARG A 60 6.292 -1.523 -6.714 1.00 0.00 C ATOM 774 CG ARG A 60 7.457 -0.677 -7.197 1.00 0.00 C ATOM 775 CD ARG A 60 8.275 -1.406 -8.250 1.00 0.00 C ATOM 776 NE ARG A 60 9.691 -1.041 -8.199 1.00 0.00 N ATOM 777 CZ ARG A 60 10.555 -1.268 -9.191 1.00 0.00 C ATOM 778 NH1 ARG A 60 10.153 -1.862 -10.312 1.00 0.00 N ATOM 779 NH2 ARG A 60 11.826 -0.900 -9.060 1.00 0.00 N ATOM 0 H ARG A 60 4.813 -1.058 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 60 5.042 0.198 -7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.594 -2.067 -5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.053 -2.267 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.082 0.259 -7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.096 -0.419 -6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.173 -2.482 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.878 -1.177 -9.239 1.00 0.00 H new ATOM 0 HE ARG A 60 10.039 -0.586 -7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.179 -2.147 -10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.819 -2.032 -11.066 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.139 -0.445 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.488 -1.073 -9.817 1.00 0.00 H new ATOM 793 N PHE A 61 3.190 -1.193 -7.900 1.00 0.00 N ATOM 794 CA PHE A 61 1.990 -1.883 -8.361 1.00 0.00 C ATOM 795 C PHE A 61 2.212 -2.472 -9.750 1.00 0.00 C ATOM 796 O PHE A 61 2.383 -1.738 -10.724 1.00 0.00 O ATOM 797 CB PHE A 61 0.793 -0.928 -8.385 1.00 0.00 C ATOM 798 CG PHE A 61 -0.487 -1.575 -8.841 1.00 0.00 C ATOM 799 CD1 PHE A 61 -0.968 -2.715 -8.215 1.00 0.00 C ATOM 800 CD2 PHE A 61 -1.207 -1.042 -9.898 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.143 -3.308 -8.634 1.00 0.00 C ATOM 802 CE2 PHE A 61 -2.383 -1.632 -10.322 1.00 0.00 C ATOM 803 CZ PHE A 61 -2.851 -2.767 -9.690 1.00 0.00 C ATOM 0 H PHE A 61 3.520 -0.461 -8.529 1.00 0.00 H new ATOM 0 HA PHE A 61 1.777 -2.694 -7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.647 -0.518 -7.386 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.021 -0.090 -9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.418 -3.144 -7.391 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.845 -0.155 -10.397 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.508 -4.194 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.935 -1.206 -11.147 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.769 -3.231 -10.020 1.00 0.00 H new ATOM 813 N ASP A 62 2.211 -3.803 -9.828 1.00 0.00 N ATOM 814 CA ASP A 62 2.417 -4.510 -11.092 1.00 0.00 C ATOM 815 C ASP A 62 3.738 -4.093 -11.747 1.00 0.00 C ATOM 816 O ASP A 62 3.828 -3.976 -12.972 1.00 0.00 O ATOM 817 CB ASP A 62 1.238 -4.248 -12.045 1.00 0.00 C ATOM 818 CG ASP A 62 0.932 -5.430 -12.952 1.00 0.00 C ATOM 819 OD1 ASP A 62 1.151 -6.585 -12.528 1.00 0.00 O ATOM 820 OD2 ASP A 62 0.464 -5.198 -14.088 1.00 0.00 O ATOM 0 H ASP A 62 2.069 -4.416 -9.025 1.00 0.00 H new ATOM 0 HA ASP A 62 2.469 -5.578 -10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.351 -4.008 -11.459 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.461 -3.375 -12.658 1.00 0.00 H new ATOM 825 N GLY A 63 4.764 -3.866 -10.920 1.00 0.00 N ATOM 826 CA GLY A 63 6.066 -3.461 -11.432 1.00 0.00 C ATOM 827 C GLY A 63 6.138 -1.978 -11.778 1.00 0.00 C ATOM 828 O GLY A 63 6.977 -1.567 -12.581 1.00 0.00 O ATOM 0 H GLY A 63 4.714 -3.956 -9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.830 -3.692 -10.689 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.298 -4.047 -12.321 1.00 0.00 H new ATOM 832 N GLN A 64 5.259 -1.176 -11.173 1.00 0.00 N ATOM 833 CA GLN A 64 5.226 0.262 -11.424 1.00 0.00 C ATOM 834 C GLN A 64 5.490 1.045 -10.139 1.00 0.00 C ATOM 835 O GLN A 64 4.829 0.823 -9.124 1.00 0.00 O ATOM 836 CB GLN A 64 3.869 0.661 -12.006 1.00 0.00 C ATOM 837 CG GLN A 64 3.781 2.123 -12.421 1.00 0.00 C ATOM 838 CD GLN A 64 2.363 2.547 -12.761 1.00 0.00 C ATOM 839 OE1 GLN A 64 1.852 3.528 -12.221 1.00 0.00 O ATOM 840 NE2 GLN A 64 1.718 1.805 -13.656 1.00 0.00 N ATOM 0 H GLN A 64 4.560 -1.501 -10.505 1.00 0.00 H new ATOM 0 HA GLN A 64 6.011 0.502 -12.141 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.658 0.034 -12.873 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.094 0.456 -11.268 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.161 2.750 -11.614 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.424 2.291 -13.285 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.180 1.000 -14.079 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.761 2.041 -13.920 1.00 0.00 H new ATOM 849 N PRO A 65 6.464 1.977 -10.167 1.00 0.00 N ATOM 850 CA PRO A 65 6.814 2.794 -9.001 1.00 0.00 C ATOM 851 C PRO A 65 5.729 3.812 -8.659 1.00 0.00 C ATOM 852 O PRO A 65 5.517 4.781 -9.392 1.00 0.00 O ATOM 853 CB PRO A 65 8.098 3.506 -9.432 1.00 0.00 C ATOM 854 CG PRO A 65 8.031 3.548 -10.919 1.00 0.00 C ATOM 855 CD PRO A 65 7.301 2.302 -11.339 1.00 0.00 C ATOM 0 HA PRO A 65 6.930 2.188 -8.102 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.154 4.510 -9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.982 2.967 -9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.507 4.441 -11.260 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.030 3.579 -11.353 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.695 2.473 -12.229 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.992 1.493 -11.575 1.00 0.00 H new ATOM 863 N ILE A 66 5.048 3.584 -7.539 1.00 0.00 N ATOM 864 CA ILE A 66 3.985 4.478 -7.087 1.00 0.00 C ATOM 865 C ILE A 66 4.341 5.125 -5.749 1.00 0.00 C ATOM 866 O ILE A 66 5.384 4.827 -5.160 1.00 0.00 O ATOM 867 CB ILE A 66 2.633 3.737 -6.959 1.00 0.00 C ATOM 868 CG1 ILE A 66 2.774 2.496 -6.070 1.00 0.00 C ATOM 869 CG2 ILE A 66 2.106 3.352 -8.335 1.00 0.00 C ATOM 870 CD1 ILE A 66 1.455 1.832 -5.735 1.00 0.00 C ATOM 0 H ILE A 66 5.214 2.786 -6.926 1.00 0.00 H new ATOM 0 HA ILE A 66 3.884 5.256 -7.843 1.00 0.00 H new ATOM 0 HB ILE A 66 1.917 4.411 -6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.417 1.773 -6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.273 2.779 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.154 2.832 -8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.962 4.251 -8.934 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.824 2.697 -8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.636 0.962 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.816 2.539 -5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.962 1.517 -6.655 1.00 0.00 H new ATOM 882 N ASN A 67 3.470 6.015 -5.277 1.00 0.00 N ATOM 883 CA ASN A 67 3.686 6.712 -4.011 1.00 0.00 C ATOM 884 C ASN A 67 2.422 6.697 -3.150 1.00 0.00 C ATOM 885 O ASN A 67 1.385 6.164 -3.558 1.00 0.00 O ATOM 886 CB ASN A 67 4.122 8.159 -4.270 1.00 0.00 C ATOM 887 CG ASN A 67 5.627 8.295 -4.417 1.00 0.00 C ATOM 888 OD1 ASN A 67 6.149 8.352 -5.531 1.00 0.00 O ATOM 889 ND2 ASN A 67 6.333 8.347 -3.293 1.00 0.00 N ATOM 0 H ASN A 67 2.606 6.271 -5.754 1.00 0.00 H new ATOM 0 HA ASN A 67 4.475 6.189 -3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.637 8.525 -5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.782 8.790 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.348 8.438 -3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.860 8.296 -2.391 1.00 0.00 H new ATOM 896 N GLU A 68 2.512 7.299 -1.959 1.00 0.00 N ATOM 897 CA GLU A 68 1.379 7.369 -1.032 1.00 0.00 C ATOM 898 C GLU A 68 0.401 8.483 -1.424 1.00 0.00 C ATOM 899 O GLU A 68 -0.131 9.185 -0.562 1.00 0.00 O ATOM 900 CB GLU A 68 1.877 7.587 0.407 1.00 0.00 C ATOM 901 CG GLU A 68 2.852 8.751 0.557 1.00 0.00 C ATOM 902 CD GLU A 68 2.424 9.754 1.615 1.00 0.00 C ATOM 903 OE1 GLU A 68 2.773 9.555 2.798 1.00 0.00 O ATOM 904 OE2 GLU A 68 1.745 10.740 1.260 1.00 0.00 O ATOM 0 H GLU A 68 3.361 7.746 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 68 0.848 6.419 -1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.018 7.760 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.361 6.674 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.837 8.361 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.949 9.262 -0.401 1.00 0.00 H new ATOM 911 N THR A 69 0.159 8.636 -2.726 1.00 0.00 N ATOM 912 CA THR A 69 -0.761 9.655 -3.223 1.00 0.00 C ATOM 913 C THR A 69 -1.591 9.125 -4.399 1.00 0.00 C ATOM 914 O THR A 69 -2.194 9.905 -5.143 1.00 0.00 O ATOM 915 CB THR A 69 0.012 10.916 -3.643 1.00 0.00 C ATOM 916 OG1 THR A 69 0.814 10.665 -4.787 1.00 0.00 O ATOM 917 CG2 THR A 69 0.920 11.463 -2.557 1.00 0.00 C ATOM 0 H THR A 69 0.588 8.066 -3.455 1.00 0.00 H new ATOM 0 HA THR A 69 -1.445 9.913 -2.415 1.00 0.00 H new ATOM 0 HB THR A 69 -0.758 11.658 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.294 11.482 -5.036 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.433 12.352 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.325 11.723 -1.682 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.656 10.707 -2.283 1.00 0.00 H new ATOM 925 N ASP A 70 -1.624 7.796 -4.568 1.00 0.00 N ATOM 926 CA ASP A 70 -2.381 7.182 -5.656 1.00 0.00 C ATOM 927 C ASP A 70 -3.885 7.250 -5.398 1.00 0.00 C ATOM 928 O ASP A 70 -4.320 7.578 -4.295 1.00 0.00 O ATOM 929 CB ASP A 70 -1.948 5.730 -5.853 1.00 0.00 C ATOM 930 CG ASP A 70 -1.050 5.562 -7.061 1.00 0.00 C ATOM 931 OD1 ASP A 70 0.144 5.914 -6.965 1.00 0.00 O ATOM 932 OD2 ASP A 70 -1.544 5.087 -8.106 1.00 0.00 O ATOM 0 H ASP A 70 -1.136 7.132 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.169 7.744 -6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.424 5.384 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.831 5.101 -5.968 1.00 0.00 H new ATOM 937 N THR A 71 -4.673 6.930 -6.427 1.00 0.00 N ATOM 938 CA THR A 71 -6.135 6.948 -6.326 1.00 0.00 C ATOM 939 C THR A 71 -6.788 6.251 -7.526 1.00 0.00 C ATOM 940 O THR A 71 -7.551 5.303 -7.345 1.00 0.00 O ATOM 941 CB THR A 71 -6.677 8.383 -6.202 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.645 9.347 -6.338 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.378 8.641 -4.887 1.00 0.00 C ATOM 0 H THR A 71 -4.321 6.654 -7.344 1.00 0.00 H new ATOM 0 HA THR A 71 -6.393 6.400 -5.420 1.00 0.00 H new ATOM 0 HB THR A 71 -7.398 8.479 -7.013 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.025 10.247 -6.256 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.737 9.670 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.223 7.960 -4.785 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.680 8.480 -4.065 1.00 0.00 H new ATOM 951 N PRO A 72 -6.505 6.707 -8.774 1.00 0.00 N ATOM 952 CA PRO A 72 -7.086 6.105 -9.985 1.00 0.00 C ATOM 953 C PRO A 72 -6.989 4.579 -10.002 1.00 0.00 C ATOM 954 O PRO A 72 -7.991 3.892 -10.208 1.00 0.00 O ATOM 955 CB PRO A 72 -6.249 6.706 -11.114 1.00 0.00 C ATOM 956 CG PRO A 72 -5.804 8.025 -10.589 1.00 0.00 C ATOM 957 CD PRO A 72 -5.611 7.840 -9.105 1.00 0.00 C ATOM 0 HA PRO A 72 -8.153 6.313 -10.062 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.399 6.070 -11.359 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.836 6.819 -12.026 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.877 8.342 -11.066 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.547 8.796 -10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.573 7.615 -8.861 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.881 8.739 -8.551 1.00 0.00 H new ATOM 965 N ALA A 73 -5.782 4.055 -9.772 1.00 0.00 N ATOM 966 CA ALA A 73 -5.561 2.608 -9.751 1.00 0.00 C ATOM 967 C ALA A 73 -6.365 1.954 -8.627 1.00 0.00 C ATOM 968 O ALA A 73 -6.960 0.889 -8.812 1.00 0.00 O ATOM 969 CB ALA A 73 -4.078 2.298 -9.589 1.00 0.00 C ATOM 0 H ALA A 73 -4.945 4.611 -9.598 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.902 2.197 -10.702 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.931 1.218 -9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.523 2.729 -10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.717 2.725 -8.653 1.00 0.00 H new ATOM 975 N GLN A 74 -6.384 2.612 -7.466 1.00 0.00 N ATOM 976 CA GLN A 74 -7.121 2.114 -6.307 1.00 0.00 C ATOM 977 C GLN A 74 -8.620 2.006 -6.606 1.00 0.00 C ATOM 978 O GLN A 74 -9.307 1.158 -6.040 1.00 0.00 O ATOM 979 CB GLN A 74 -6.894 3.026 -5.100 1.00 0.00 C ATOM 980 CG GLN A 74 -7.525 2.503 -3.819 1.00 0.00 C ATOM 981 CD GLN A 74 -6.500 2.027 -2.806 1.00 0.00 C ATOM 982 OE1 GLN A 74 -6.537 0.879 -2.363 1.00 0.00 O ATOM 983 NE2 GLN A 74 -5.577 2.907 -2.432 1.00 0.00 N ATOM 0 H GLN A 74 -5.896 3.493 -7.305 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.746 1.116 -6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.822 3.149 -4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.300 4.014 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.132 3.290 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.198 1.680 -4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.582 3.849 -2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.864 2.641 -1.753 1.00 0.00 H new ATOM 992 N LEU A 75 -9.119 2.863 -7.500 1.00 0.00 N ATOM 993 CA LEU A 75 -10.533 2.847 -7.874 1.00 0.00 C ATOM 994 C LEU A 75 -10.811 1.739 -8.889 1.00 0.00 C ATOM 995 O LEU A 75 -11.900 1.165 -8.908 1.00 0.00 O ATOM 996 CB LEU A 75 -10.948 4.200 -8.454 1.00 0.00 C ATOM 997 CG LEU A 75 -11.674 5.128 -7.479 1.00 0.00 C ATOM 998 CD1 LEU A 75 -10.685 5.769 -6.514 1.00 0.00 C ATOM 999 CD2 LEU A 75 -12.454 6.191 -8.240 1.00 0.00 C ATOM 0 H LEU A 75 -8.565 3.575 -7.977 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.119 2.653 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.057 4.709 -8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.593 4.026 -9.315 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.380 4.536 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.220 6.426 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.174 4.991 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.953 6.349 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.965 6.844 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.768 6.781 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.189 5.710 -8.886 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.818 1.444 -9.731 1.00 0.00 N ATOM 1012 CA GLU A 76 -9.953 0.402 -10.747 1.00 0.00 C ATOM 1013 C GLU A 76 -10.194 -0.970 -10.108 1.00 0.00 C ATOM 1014 O GLU A 76 -11.002 -1.758 -10.601 1.00 0.00 O ATOM 1015 CB GLU A 76 -8.701 0.356 -11.628 1.00 0.00 C ATOM 1016 CG GLU A 76 -8.950 -0.225 -13.011 1.00 0.00 C ATOM 1017 CD GLU A 76 -8.330 0.608 -14.116 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -7.158 0.353 -14.465 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -9.015 1.517 -14.631 1.00 0.00 O ATOM 0 H GLU A 76 -8.912 1.913 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.818 0.646 -11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.304 1.366 -11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.936 -0.237 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.546 -1.236 -13.054 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.024 -0.303 -13.180 1.00 0.00 H new ATOM 1026 N MET A 77 -9.487 -1.248 -9.009 1.00 0.00 N ATOM 1027 CA MET A 77 -9.627 -2.522 -8.302 1.00 0.00 C ATOM 1028 C MET A 77 -10.436 -2.348 -7.019 1.00 0.00 C ATOM 1029 O MET A 77 -10.400 -1.286 -6.395 1.00 0.00 O ATOM 1030 CB MET A 77 -8.247 -3.096 -7.965 1.00 0.00 C ATOM 1031 CG MET A 77 -7.467 -3.566 -9.181 1.00 0.00 C ATOM 1032 SD MET A 77 -6.352 -2.300 -9.817 1.00 0.00 S ATOM 1033 CE MET A 77 -6.675 -2.421 -11.573 1.00 0.00 C ATOM 0 H MET A 77 -8.812 -0.608 -8.591 1.00 0.00 H new ATOM 0 HA MET A 77 -10.156 -3.214 -8.957 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.665 -2.337 -7.443 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.369 -3.933 -7.277 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.892 -4.454 -8.919 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.165 -3.859 -9.966 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.371 -1.496 -12.063 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.111 -3.255 -11.990 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.740 -2.585 -11.737 1.00 0.00 H new ATOM 1043 N GLU A 78 -11.164 -3.393 -6.622 1.00 0.00 N ATOM 1044 CA GLU A 78 -11.975 -3.339 -5.407 1.00 0.00 C ATOM 1045 C GLU A 78 -12.494 -4.725 -5.012 1.00 0.00 C ATOM 1046 O GLU A 78 -13.691 -4.909 -4.778 1.00 0.00 O ATOM 1047 CB GLU A 78 -13.144 -2.361 -5.587 1.00 0.00 C ATOM 1048 CG GLU A 78 -13.944 -2.572 -6.871 1.00 0.00 C ATOM 1049 CD GLU A 78 -14.058 -1.317 -7.724 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -14.105 -0.207 -7.155 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -14.107 -1.449 -8.965 1.00 0.00 O ATOM 0 H GLU A 78 -11.208 -4.281 -7.121 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.336 -2.983 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.816 -2.454 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.756 -1.342 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.473 -3.360 -7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.944 -2.920 -6.614 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.582 -5.695 -4.935 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.943 -7.064 -4.566 1.00 0.00 C ATOM 1060 C ASP A 79 -10.696 -7.919 -4.331 1.00 0.00 C ATOM 1061 O ASP A 79 -10.543 -8.529 -3.271 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.835 -7.698 -5.647 1.00 0.00 C ATOM 1063 CG ASP A 79 -12.335 -7.448 -7.062 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -12.658 -6.381 -7.629 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -11.626 -8.321 -7.604 1.00 0.00 O ATOM 0 H ASP A 79 -10.589 -5.558 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.504 -7.023 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.895 -8.773 -5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.846 -7.303 -5.551 1.00 0.00 H new ATOM 1070 N GLU A 80 -9.807 -7.957 -5.323 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.575 -8.732 -5.229 1.00 0.00 C ATOM 1072 C GLU A 80 -7.416 -7.984 -5.888 1.00 0.00 C ATOM 1073 O GLU A 80 -7.224 -8.067 -7.102 1.00 0.00 O ATOM 1074 CB GLU A 80 -8.762 -10.104 -5.886 1.00 0.00 C ATOM 1075 CG GLU A 80 -9.231 -11.186 -4.922 1.00 0.00 C ATOM 1076 CD GLU A 80 -10.731 -11.420 -4.978 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -11.263 -11.624 -6.090 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -11.372 -11.405 -3.907 1.00 0.00 O ATOM 0 H GLU A 80 -9.920 -7.457 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.337 -8.875 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.485 -10.013 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.818 -10.414 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.714 -12.118 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.950 -10.907 -3.906 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.652 -7.248 -5.079 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.515 -6.481 -5.582 1.00 0.00 C ATOM 1087 C ASP A 81 -4.246 -6.792 -4.789 1.00 0.00 C ATOM 1088 O ASP A 81 -4.269 -6.847 -3.556 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.815 -4.979 -5.523 1.00 0.00 C ATOM 1090 CG ASP A 81 -4.774 -4.156 -6.256 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -4.892 -4.016 -7.490 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -3.836 -3.659 -5.597 1.00 0.00 O ATOM 0 H ASP A 81 -6.801 -7.168 -4.073 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.350 -6.770 -6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.797 -4.789 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.860 -4.660 -4.482 1.00 0.00 H new ATOM 1097 N THR A 82 -3.141 -6.991 -5.510 1.00 0.00 N ATOM 1098 CA THR A 82 -1.855 -7.292 -4.886 1.00 0.00 C ATOM 1099 C THR A 82 -0.839 -6.194 -5.186 1.00 0.00 C ATOM 1100 O THR A 82 -0.703 -5.757 -6.331 1.00 0.00 O ATOM 1101 CB THR A 82 -1.313 -8.649 -5.363 1.00 0.00 C ATOM 1102 OG1 THR A 82 -1.857 -9.010 -6.626 1.00 0.00 O ATOM 1103 CG2 THR A 82 -1.596 -9.779 -4.394 1.00 0.00 C ATOM 0 H THR A 82 -3.113 -6.949 -6.529 1.00 0.00 H new ATOM 0 HA THR A 82 -2.014 -7.341 -3.809 1.00 0.00 H new ATOM 0 HB THR A 82 -0.234 -8.512 -5.435 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.492 -9.876 -6.904 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.188 -10.709 -4.790 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.132 -9.559 -3.433 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.673 -9.883 -4.261 1.00 0.00 H new ATOM 1111 N ILE A 83 -0.130 -5.753 -4.149 1.00 0.00 N ATOM 1112 CA ILE A 83 0.876 -4.703 -4.293 1.00 0.00 C ATOM 1113 C ILE A 83 2.235 -5.178 -3.782 1.00 0.00 C ATOM 1114 O ILE A 83 2.326 -6.190 -3.084 1.00 0.00 O ATOM 1115 CB ILE A 83 0.473 -3.409 -3.542 1.00 0.00 C ATOM 1116 CG1 ILE A 83 -1.047 -3.340 -3.334 1.00 0.00 C ATOM 1117 CG2 ILE A 83 0.952 -2.182 -4.304 1.00 0.00 C ATOM 1118 CD1 ILE A 83 -1.511 -3.918 -2.014 1.00 0.00 C ATOM 0 H ILE A 83 -0.234 -6.107 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 83 0.944 -4.478 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 83 0.951 -3.428 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.366 -2.300 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.540 -3.874 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.661 -1.281 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.037 -2.213 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.501 -2.171 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.595 -3.833 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.225 -4.968 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.048 -3.370 -1.194 1.00 0.00 H new ATOM 1130 N ASP A 84 3.288 -4.442 -4.136 1.00 0.00 N ATOM 1131 CA ASP A 84 4.645 -4.784 -3.721 1.00 0.00 C ATOM 1132 C ASP A 84 5.342 -3.577 -3.105 1.00 0.00 C ATOM 1133 O ASP A 84 5.773 -2.666 -3.816 1.00 0.00 O ATOM 1134 CB ASP A 84 5.453 -5.299 -4.918 1.00 0.00 C ATOM 1135 CG ASP A 84 5.477 -6.814 -5.004 1.00 0.00 C ATOM 1136 OD1 ASP A 84 4.389 -7.427 -5.037 1.00 0.00 O ATOM 1137 OD2 ASP A 84 6.586 -7.387 -5.044 1.00 0.00 O ATOM 0 H ASP A 84 3.225 -3.602 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 84 4.583 -5.570 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.030 -4.894 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.475 -4.928 -4.847 1.00 0.00 H new ATOM 1142 N VAL A 85 5.453 -3.574 -1.781 1.00 0.00 N ATOM 1143 CA VAL A 85 6.101 -2.477 -1.076 1.00 0.00 C ATOM 1144 C VAL A 85 7.615 -2.694 -0.989 1.00 0.00 C ATOM 1145 O VAL A 85 8.087 -3.666 -0.393 1.00 0.00 O ATOM 1146 CB VAL A 85 5.513 -2.276 0.338 1.00 0.00 C ATOM 1147 CG1 VAL A 85 5.774 -3.489 1.220 1.00 0.00 C ATOM 1148 CG2 VAL A 85 6.073 -1.007 0.967 1.00 0.00 C ATOM 0 H VAL A 85 5.103 -4.318 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 85 5.909 -1.573 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 85 4.432 -2.166 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.349 -3.318 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.312 -4.370 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.848 -3.649 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.650 -0.878 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.158 -1.085 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.812 -0.149 0.348 1.00 0.00 H new ATOM 1158 N PHE A 86 8.364 -1.782 -1.602 1.00 0.00 N ATOM 1159 CA PHE A 86 9.825 -1.856 -1.617 1.00 0.00 C ATOM 1160 C PHE A 86 10.450 -0.778 -0.725 1.00 0.00 C ATOM 1161 O PHE A 86 9.878 0.297 -0.544 1.00 0.00 O ATOM 1162 CB PHE A 86 10.331 -1.701 -3.054 1.00 0.00 C ATOM 1163 CG PHE A 86 10.063 -2.904 -3.919 1.00 0.00 C ATOM 1164 CD1 PHE A 86 10.963 -3.957 -3.959 1.00 0.00 C ATOM 1165 CD2 PHE A 86 8.912 -2.982 -4.691 1.00 0.00 C ATOM 1166 CE1 PHE A 86 10.722 -5.065 -4.750 1.00 0.00 C ATOM 1167 CE2 PHE A 86 8.667 -4.089 -5.484 1.00 0.00 C ATOM 1168 CZ PHE A 86 9.573 -5.131 -5.513 1.00 0.00 C ATOM 0 H PHE A 86 7.982 -0.977 -2.099 1.00 0.00 H new ATOM 0 HA PHE A 86 10.121 -2.828 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.860 -0.827 -3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.404 -1.510 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.864 -3.912 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.200 -2.170 -4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 86 11.432 -5.879 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.768 -4.138 -6.080 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.383 -5.996 -6.131 1.00 0.00 H new ATOM 1178 N GLN A 87 11.632 -1.069 -0.176 1.00 0.00 N ATOM 1179 CA GLN A 87 12.337 -0.117 0.687 1.00 0.00 C ATOM 1180 C GLN A 87 13.706 0.247 0.101 1.00 0.00 C ATOM 1181 O GLN A 87 14.191 -0.417 -0.817 1.00 0.00 O ATOM 1182 CB GLN A 87 12.502 -0.696 2.099 1.00 0.00 C ATOM 1183 CG GLN A 87 11.418 -0.248 3.071 1.00 0.00 C ATOM 1184 CD GLN A 87 10.119 -1.016 2.893 1.00 0.00 C ATOM 1185 OE1 GLN A 87 9.252 -0.616 2.118 1.00 0.00 O ATOM 1186 NE2 GLN A 87 9.977 -2.124 3.614 1.00 0.00 N ATOM 0 H GLN A 87 12.120 -1.954 -0.313 1.00 0.00 H new ATOM 0 HA GLN A 87 11.739 0.792 0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.498 -1.784 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.475 -0.402 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.775 -0.378 4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.228 0.816 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.721 -2.420 4.245 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.124 -2.678 3.536 1.00 0.00 H new