USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 459 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 47 ASN : amide:sc= 1.55 K(o=2.4,f=-4.1!) USER MOD Set 1.2: A 49 THR OG1 : rot -169:sc= 0.891 USER MOD Set 2.1: A 2 THR OG1 : rot -76:sc= 1.1 USER MOD Set 2.2: A 28 ASN : amide:sc= 0.207 K(o=1.3,f=0.81) USER MOD Single : A 1 LEU N :NH3+ 133:sc= -0.155 (180deg=-1.76!) USER MOD Single : A 3 LYS NZ :NH3+ -122:sc= -0.0255 (180deg=-1.03) USER MOD Single : A 5 GLN : amide:sc= 1.2 K(o=1.2,f=-1.2) USER MOD Single : A 9 SER OG : rot 97:sc= 1.18 USER MOD Single : A 10 HIS : no HE2:sc= 0.511 K(o=0.51,f=-3.1!) USER MOD Single : A 15 HIS : no HE2:sc= 0.618 K(o=0.62,f=-3.9!) USER MOD Single : A 18 SER OG : rot -88:sc= 1.25 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.289 K(o=0.29,f=-3.6!) USER MOD Single : A 29 TYR OH : rot 168:sc= 1.28 USER MOD Single : A 33 GLN : amide:sc= 2.67 K(o=2.7,f=-5.8!) USER MOD Single : A 35 TYR OH : rot 30:sc= 1.24 USER MOD Single : A 37 SER OG : rot 113:sc= 1.19 USER MOD Single : A 40 TYR OH : rot 180:sc= 0.0261 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -63:sc= 1.91 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 59 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.48) USER MOD Single : A 60 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-4.5!) USER MOD Single : A 61 ASN : amide:sc= 1.15 K(o=1.2,f=-1.3) USER MOD Single : A 63 SER OG : rot -45:sc= 1.11 USER MOD Single : A 65 SER OG : rot 5:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.469 10.405 -1.383 1.00 0.00 N ATOM 2 CA LEU A 1 13.315 9.560 -1.101 1.00 0.00 C ATOM 3 C LEU A 1 12.721 9.866 0.284 1.00 0.00 C ATOM 4 O LEU A 1 13.369 10.516 1.105 1.00 0.00 O ATOM 5 CB LEU A 1 13.703 8.074 -1.265 1.00 0.00 C ATOM 6 CG LEU A 1 14.481 7.403 -0.112 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.620 5.905 -0.401 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.884 7.975 0.111 1.00 0.00 C ATOM 0 H1 LEU A 1 15.246 9.820 -1.753 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.209 11.123 -2.090 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.776 10.876 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 1 12.528 9.780 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.788 7.505 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.301 7.982 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 1 13.905 7.598 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.169 5.427 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.630 5.457 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 1 15.161 5.764 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 1 16.364 7.450 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.478 7.846 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.811 9.036 0.349 1.00 0.00 H new ATOM 20 N THR A 2 11.508 9.366 0.561 1.00 0.00 N ATOM 21 CA THR A 2 10.863 9.417 1.881 1.00 0.00 C ATOM 22 C THR A 2 10.118 8.108 2.203 1.00 0.00 C ATOM 23 O THR A 2 10.150 7.155 1.424 1.00 0.00 O ATOM 24 CB THR A 2 9.974 10.671 2.081 1.00 0.00 C ATOM 25 OG1 THR A 2 8.798 10.654 1.311 1.00 0.00 O ATOM 26 CG2 THR A 2 10.674 11.995 1.781 1.00 0.00 C ATOM 0 H THR A 2 10.934 8.904 -0.144 1.00 0.00 H new ATOM 0 HA THR A 2 11.668 9.515 2.610 1.00 0.00 H new ATOM 0 HB THR A 2 9.736 10.615 3.143 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.015 10.860 0.378 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.980 12.819 1.947 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.536 12.108 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.007 12.004 0.743 1.00 0.00 H new ATOM 34 N LYS A 3 9.502 8.050 3.390 1.00 0.00 N ATOM 35 CA LYS A 3 8.872 6.925 4.102 1.00 0.00 C ATOM 36 C LYS A 3 8.423 5.703 3.286 1.00 0.00 C ATOM 37 O LYS A 3 8.924 4.601 3.510 1.00 0.00 O ATOM 38 CB LYS A 3 7.749 7.495 5.001 1.00 0.00 C ATOM 39 CG LYS A 3 6.750 8.415 4.259 1.00 0.00 C ATOM 40 CD LYS A 3 5.627 9.015 5.117 1.00 0.00 C ATOM 41 CE LYS A 3 6.098 10.027 6.167 1.00 0.00 C ATOM 42 NZ LYS A 3 6.515 9.370 7.420 1.00 0.00 N ATOM 0 H LYS A 3 9.422 8.900 3.948 1.00 0.00 H new ATOM 0 HA LYS A 3 9.670 6.470 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.200 6.666 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.202 8.054 5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.309 9.232 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.296 7.847 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.906 9.502 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.101 8.205 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.931 10.604 5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.294 10.732 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.949 9.739 8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.369 8.344 7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.522 9.563 7.595 1.00 0.00 H new ATOM 56 N CYS A 4 7.489 5.867 2.354 1.00 0.00 N ATOM 57 CA CYS A 4 7.000 4.787 1.511 1.00 0.00 C ATOM 58 C CYS A 4 8.110 4.277 0.588 1.00 0.00 C ATOM 59 O CYS A 4 8.384 3.079 0.580 1.00 0.00 O ATOM 60 CB CYS A 4 5.772 5.275 0.739 1.00 0.00 C ATOM 61 SG CYS A 4 5.036 4.064 -0.371 1.00 0.00 S ATOM 0 H CYS A 4 7.047 6.766 2.163 1.00 0.00 H new ATOM 0 HA CYS A 4 6.699 3.939 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.015 5.595 1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.053 6.154 0.158 1.00 0.00 H new ATOM 66 N GLN A 5 8.790 5.171 -0.146 1.00 0.00 N ATOM 67 CA GLN A 5 9.921 4.786 -0.997 1.00 0.00 C ATOM 68 C GLN A 5 11.052 4.137 -0.186 1.00 0.00 C ATOM 69 O GLN A 5 11.711 3.245 -0.716 1.00 0.00 O ATOM 70 CB GLN A 5 10.467 5.982 -1.793 1.00 0.00 C ATOM 71 CG GLN A 5 9.749 6.236 -3.129 1.00 0.00 C ATOM 72 CD GLN A 5 10.229 7.533 -3.790 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.371 7.941 -3.652 1.00 0.00 O ATOM 74 NE2 GLN A 5 9.380 8.252 -4.499 1.00 0.00 N ATOM 0 H GLN A 5 8.574 6.168 -0.166 1.00 0.00 H new ATOM 0 HA GLN A 5 9.538 4.048 -1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 5 10.391 6.878 -1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.527 5.819 -1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.925 5.397 -3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.673 6.289 -2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.421 7.929 -4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.683 9.131 -4.919 1.00 0.00 H new ATOM 83 N GLU A 6 11.265 4.520 1.082 1.00 0.00 N ATOM 84 CA GLU A 6 12.221 3.842 1.966 1.00 0.00 C ATOM 85 C GLU A 6 11.807 2.390 2.215 1.00 0.00 C ATOM 86 O GLU A 6 12.593 1.484 1.950 1.00 0.00 O ATOM 87 CB GLU A 6 12.351 4.576 3.302 1.00 0.00 C ATOM 88 CG GLU A 6 12.993 5.963 3.164 1.00 0.00 C ATOM 89 CD GLU A 6 13.016 6.712 4.497 1.00 0.00 C ATOM 90 OE1 GLU A 6 13.777 6.277 5.388 1.00 0.00 O ATOM 91 OE2 GLU A 6 12.265 7.706 4.606 1.00 0.00 O ATOM 0 H GLU A 6 10.782 5.304 1.520 1.00 0.00 H new ATOM 0 HA GLU A 6 13.189 3.850 1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.363 4.682 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.948 3.972 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.011 5.857 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.441 6.548 2.428 1.00 0.00 H new ATOM 98 N GLU A 7 10.572 2.152 2.679 1.00 0.00 N ATOM 99 CA GLU A 7 10.064 0.791 2.874 1.00 0.00 C ATOM 100 C GLU A 7 10.099 -0.025 1.580 1.00 0.00 C ATOM 101 O GLU A 7 10.532 -1.172 1.591 1.00 0.00 O ATOM 102 CB GLU A 7 8.629 0.801 3.417 1.00 0.00 C ATOM 103 CG GLU A 7 8.544 1.181 4.899 1.00 0.00 C ATOM 104 CD GLU A 7 7.182 0.798 5.482 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.159 1.174 4.860 1.00 0.00 O ATOM 106 OE2 GLU A 7 7.175 0.129 6.538 1.00 0.00 O ATOM 0 H GLU A 7 9.908 2.886 2.926 1.00 0.00 H new ATOM 0 HA GLU A 7 10.724 0.322 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.032 1.503 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.188 -0.186 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.336 0.678 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.705 2.253 5.014 1.00 0.00 H new ATOM 113 N VAL A 8 9.677 0.559 0.458 1.00 0.00 N ATOM 114 CA VAL A 8 9.649 -0.102 -0.857 1.00 0.00 C ATOM 115 C VAL A 8 11.065 -0.392 -1.380 1.00 0.00 C ATOM 116 O VAL A 8 11.280 -1.362 -2.106 1.00 0.00 O ATOM 117 CB VAL A 8 8.824 0.751 -1.833 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.793 0.247 -3.280 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.357 0.751 -1.380 1.00 0.00 C ATOM 0 H VAL A 8 9.338 1.521 0.432 1.00 0.00 H new ATOM 0 HA VAL A 8 9.168 -1.075 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 8 9.309 1.727 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.185 0.919 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.808 0.218 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.364 -0.755 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.764 1.354 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.978 -0.271 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.286 1.170 -0.376 1.00 0.00 H new ATOM 129 N SER A 9 12.045 0.410 -0.955 1.00 0.00 N ATOM 130 CA SER A 9 13.484 0.172 -1.155 1.00 0.00 C ATOM 131 C SER A 9 14.089 -0.854 -0.181 1.00 0.00 C ATOM 132 O SER A 9 15.302 -1.077 -0.216 1.00 0.00 O ATOM 133 CB SER A 9 14.282 1.480 -1.044 1.00 0.00 C ATOM 134 OG SER A 9 13.774 2.465 -1.917 1.00 0.00 O ATOM 0 H SER A 9 11.856 1.273 -0.445 1.00 0.00 H new ATOM 0 HA SER A 9 13.561 -0.242 -2.160 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.244 1.846 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.330 1.290 -1.276 1.00 0.00 H new ATOM 0 HG SER A 9 13.164 3.054 -1.426 1.00 0.00 H new ATOM 140 N HIS A 10 13.298 -1.462 0.712 1.00 0.00 N ATOM 141 CA HIS A 10 13.753 -2.464 1.691 1.00 0.00 C ATOM 142 C HIS A 10 12.934 -3.764 1.620 1.00 0.00 C ATOM 143 O HIS A 10 13.491 -4.846 1.784 1.00 0.00 O ATOM 144 CB HIS A 10 13.726 -1.852 3.102 1.00 0.00 C ATOM 145 CG HIS A 10 14.640 -0.662 3.304 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.637 -0.232 2.454 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.607 0.201 4.366 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.186 0.870 2.994 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.596 1.169 4.162 1.00 0.00 N ATOM 0 H HIS A 10 12.299 -1.268 0.777 1.00 0.00 H new ATOM 0 HA HIS A 10 14.778 -2.742 1.445 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.704 -1.548 3.330 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.997 -2.625 3.821 1.00 0.00 H new ATOM 0 HD1 HIS A 10 15.909 -0.671 1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.937 0.145 5.211 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.991 1.437 2.549 1.00 0.00 H new ATOM 157 N ILE A 11 11.634 -3.663 1.335 1.00 0.00 N ATOM 158 CA ILE A 11 10.727 -4.763 1.007 1.00 0.00 C ATOM 159 C ILE A 11 10.819 -4.959 -0.515 1.00 0.00 C ATOM 160 O ILE A 11 10.362 -4.078 -1.244 1.00 0.00 O ATOM 161 CB ILE A 11 9.271 -4.430 1.424 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.155 -4.131 2.938 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.350 -5.605 1.038 1.00 0.00 C ATOM 164 CD1 ILE A 11 7.808 -3.511 3.336 1.00 0.00 C ATOM 0 H ILE A 11 11.160 -2.760 1.327 1.00 0.00 H new ATOM 0 HA ILE A 11 11.007 -5.669 1.544 1.00 0.00 H new ATOM 0 HB ILE A 11 8.964 -3.528 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.299 -5.056 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.958 -3.454 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.325 -5.375 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.394 -5.763 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.679 -6.509 1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.795 -3.327 4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.670 -2.569 2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.001 -4.196 3.075 1.00 0.00 H new ATOM 176 N PRO A 12 11.421 -6.047 -1.029 1.00 0.00 N ATOM 177 CA PRO A 12 11.541 -6.272 -2.468 1.00 0.00 C ATOM 178 C PRO A 12 10.211 -6.730 -3.091 1.00 0.00 C ATOM 179 O PRO A 12 9.290 -7.152 -2.392 1.00 0.00 O ATOM 180 CB PRO A 12 12.616 -7.359 -2.592 1.00 0.00 C ATOM 181 CG PRO A 12 12.393 -8.201 -1.336 1.00 0.00 C ATOM 182 CD PRO A 12 12.016 -7.152 -0.289 1.00 0.00 C ATOM 0 HA PRO A 12 11.804 -5.359 -3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.493 -7.948 -3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.619 -6.934 -2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.600 -8.936 -1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.290 -8.751 -1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.313 -7.560 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.893 -6.822 0.267 1.00 0.00 H new ATOM 190 N ALA A 13 10.157 -6.759 -4.430 1.00 0.00 N ATOM 191 CA ALA A 13 9.049 -7.337 -5.197 1.00 0.00 C ATOM 192 C ALA A 13 8.779 -8.822 -4.863 1.00 0.00 C ATOM 193 O ALA A 13 7.669 -9.315 -5.053 1.00 0.00 O ATOM 194 CB ALA A 13 9.349 -7.155 -6.689 1.00 0.00 C ATOM 0 H ALA A 13 10.896 -6.374 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 13 8.135 -6.810 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.536 -7.579 -7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.445 -6.093 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.280 -7.664 -6.938 1.00 0.00 H new ATOM 200 N VAL A 14 9.770 -9.530 -4.308 1.00 0.00 N ATOM 201 CA VAL A 14 9.632 -10.871 -3.736 1.00 0.00 C ATOM 202 C VAL A 14 9.037 -10.743 -2.326 1.00 0.00 C ATOM 203 O VAL A 14 9.727 -10.916 -1.323 1.00 0.00 O ATOM 204 CB VAL A 14 10.976 -11.638 -3.761 1.00 0.00 C ATOM 205 CG1 VAL A 14 10.791 -13.105 -3.341 1.00 0.00 C ATOM 206 CG2 VAL A 14 11.594 -11.648 -5.169 1.00 0.00 C ATOM 0 H VAL A 14 10.722 -9.171 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 14 8.950 -11.468 -4.342 1.00 0.00 H new ATOM 0 HB VAL A 14 11.631 -11.118 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.754 -13.616 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.388 -13.146 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.100 -13.595 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.537 -12.195 -5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.908 -12.132 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.776 -10.624 -5.494 1.00 0.00 H new ATOM 216 N HIS A 15 7.734 -10.451 -2.263 1.00 0.00 N ATOM 217 CA HIS A 15 6.948 -10.380 -1.021 1.00 0.00 C ATOM 218 C HIS A 15 5.828 -11.451 -0.970 1.00 0.00 C ATOM 219 O HIS A 15 4.640 -11.124 -0.873 1.00 0.00 O ATOM 220 CB HIS A 15 6.477 -8.933 -0.778 1.00 0.00 C ATOM 221 CG HIS A 15 5.547 -8.364 -1.823 1.00 0.00 C ATOM 222 ND1 HIS A 15 4.175 -8.363 -1.768 1.00 0.00 N ATOM 223 CD2 HIS A 15 5.911 -7.708 -2.965 1.00 0.00 C ATOM 224 CE1 HIS A 15 3.721 -7.728 -2.860 1.00 0.00 C ATOM 225 NE2 HIS A 15 4.743 -7.308 -3.620 1.00 0.00 N ATOM 0 H HIS A 15 7.179 -10.252 -3.095 1.00 0.00 H new ATOM 0 HA HIS A 15 7.586 -10.639 -0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.976 -8.891 0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.355 -8.291 -0.711 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.603 -8.772 -1.029 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.922 -7.530 -3.302 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.678 -7.576 -3.094 1.00 0.00 H new ATOM 233 N PRO A 16 6.171 -12.759 -0.996 1.00 0.00 N ATOM 234 CA PRO A 16 5.184 -13.837 -0.948 1.00 0.00 C ATOM 235 C PRO A 16 4.395 -13.791 0.367 1.00 0.00 C ATOM 236 O PRO A 16 4.949 -13.475 1.426 1.00 0.00 O ATOM 237 CB PRO A 16 5.979 -15.137 -1.108 1.00 0.00 C ATOM 238 CG PRO A 16 7.355 -14.780 -0.552 1.00 0.00 C ATOM 239 CD PRO A 16 7.517 -13.318 -0.961 1.00 0.00 C ATOM 0 HA PRO A 16 4.438 -13.748 -1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.523 -15.958 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.035 -15.448 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.399 -14.904 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.138 -15.408 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.144 -12.781 -0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.999 -13.236 -1.935 1.00 0.00 H new ATOM 247 N GLY A 17 3.080 -14.032 0.279 1.00 0.00 N ATOM 248 CA GLY A 17 2.122 -13.957 1.392 1.00 0.00 C ATOM 249 C GLY A 17 2.100 -12.626 2.162 1.00 0.00 C ATOM 250 O GLY A 17 1.407 -12.521 3.173 1.00 0.00 O ATOM 0 H GLY A 17 2.637 -14.294 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.122 -14.146 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.346 -14.759 2.095 1.00 0.00 H new ATOM 254 N SER A 18 2.817 -11.602 1.690 1.00 0.00 N ATOM 255 CA SER A 18 3.108 -10.353 2.397 1.00 0.00 C ATOM 256 C SER A 18 2.893 -9.126 1.497 1.00 0.00 C ATOM 257 O SER A 18 2.522 -9.254 0.325 1.00 0.00 O ATOM 258 CB SER A 18 4.523 -10.448 2.999 1.00 0.00 C ATOM 259 OG SER A 18 5.474 -10.971 2.088 1.00 0.00 O ATOM 0 H SER A 18 3.230 -11.624 0.758 1.00 0.00 H new ATOM 0 HA SER A 18 2.405 -10.212 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.843 -9.457 3.322 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.493 -11.078 3.888 1.00 0.00 H new ATOM 0 HG SER A 18 5.492 -11.948 2.159 1.00 0.00 H new ATOM 265 N PHE A 19 3.055 -7.925 2.063 1.00 0.00 N ATOM 266 CA PHE A 19 2.695 -6.641 1.455 1.00 0.00 C ATOM 267 C PHE A 19 3.935 -5.793 1.147 1.00 0.00 C ATOM 268 O PHE A 19 4.851 -5.703 1.963 1.00 0.00 O ATOM 269 CB PHE A 19 1.745 -5.910 2.423 1.00 0.00 C ATOM 270 CG PHE A 19 1.517 -4.426 2.168 1.00 0.00 C ATOM 271 CD1 PHE A 19 1.030 -3.970 0.928 1.00 0.00 C ATOM 272 CD2 PHE A 19 1.799 -3.490 3.184 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.830 -2.596 0.705 1.00 0.00 C ATOM 274 CE2 PHE A 19 1.595 -2.117 2.963 1.00 0.00 C ATOM 275 CZ PHE A 19 1.111 -1.669 1.723 1.00 0.00 C ATOM 0 H PHE A 19 3.457 -7.818 2.994 1.00 0.00 H new ATOM 0 HA PHE A 19 2.199 -6.813 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.778 -6.412 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.135 -6.025 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.809 -4.679 0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.174 -3.830 4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.460 -2.253 -0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.811 -1.406 3.747 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.955 -0.614 1.552 1.00 0.00 H new ATOM 285 N ARG A 20 3.907 -5.118 -0.010 1.00 0.00 N ATOM 286 CA ARG A 20 4.853 -4.091 -0.444 1.00 0.00 C ATOM 287 C ARG A 20 4.059 -2.822 -0.799 1.00 0.00 C ATOM 288 O ARG A 20 3.154 -2.912 -1.634 1.00 0.00 O ATOM 289 CB ARG A 20 5.652 -4.620 -1.641 1.00 0.00 C ATOM 290 CG ARG A 20 6.782 -3.676 -2.061 1.00 0.00 C ATOM 291 CD ARG A 20 7.502 -4.222 -3.297 1.00 0.00 C ATOM 292 NE ARG A 20 8.819 -3.593 -3.448 1.00 0.00 N ATOM 293 CZ ARG A 20 9.438 -3.216 -4.554 1.00 0.00 C ATOM 294 NH1 ARG A 20 8.912 -3.409 -5.740 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.605 -2.625 -4.462 1.00 0.00 N ATOM 0 H ARG A 20 3.180 -5.287 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 20 5.563 -3.845 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.072 -5.594 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.978 -4.771 -2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.377 -2.687 -2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.491 -3.560 -1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.617 -5.302 -3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.900 -4.036 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 20 9.327 -3.423 -2.580 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.002 -3.861 -5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.413 -3.107 -6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.023 -2.462 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.095 -2.329 -5.306 1.00 0.00 H new ATOM 309 N PRO A 21 4.323 -1.669 -0.152 1.00 0.00 N ATOM 310 CA PRO A 21 3.651 -0.410 -0.472 1.00 0.00 C ATOM 311 C PRO A 21 3.855 0.075 -1.920 1.00 0.00 C ATOM 312 O PRO A 21 4.681 -0.440 -2.670 1.00 0.00 O ATOM 313 CB PRO A 21 4.205 0.617 0.525 1.00 0.00 C ATOM 314 CG PRO A 21 4.762 -0.213 1.676 1.00 0.00 C ATOM 315 CD PRO A 21 5.205 -1.504 0.995 1.00 0.00 C ATOM 0 HA PRO A 21 2.573 -0.549 -0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.982 1.231 0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.424 1.295 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.595 0.289 2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.007 -0.400 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.247 -1.443 0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.125 -2.352 1.675 1.00 0.00 H new ATOM 323 N LYS A 22 3.122 1.134 -2.282 1.00 0.00 N ATOM 324 CA LYS A 22 3.291 1.922 -3.512 1.00 0.00 C ATOM 325 C LYS A 22 3.206 3.415 -3.177 1.00 0.00 C ATOM 326 O LYS A 22 2.461 3.809 -2.276 1.00 0.00 O ATOM 327 CB LYS A 22 2.362 1.451 -4.648 1.00 0.00 C ATOM 328 CG LYS A 22 0.841 1.431 -4.394 1.00 0.00 C ATOM 329 CD LYS A 22 0.299 0.304 -3.494 1.00 0.00 C ATOM 330 CE LYS A 22 0.800 -1.107 -3.823 1.00 0.00 C ATOM 331 NZ LYS A 22 0.386 -1.537 -5.170 1.00 0.00 N ATOM 0 H LYS A 22 2.360 1.482 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 22 4.287 1.751 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.545 2.089 -5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.665 0.442 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.559 2.385 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.337 1.367 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.561 0.531 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.789 0.307 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.887 -1.132 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.416 -1.810 -3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.744 -2.496 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.652 -1.538 -5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.773 -0.881 -5.878 1.00 0.00 H new ATOM 345 N CYS A 23 3.961 4.249 -3.894 1.00 0.00 N ATOM 346 CA CYS A 23 4.213 5.639 -3.496 1.00 0.00 C ATOM 347 C CYS A 23 4.219 6.643 -4.642 1.00 0.00 C ATOM 348 O CYS A 23 4.415 6.298 -5.804 1.00 0.00 O ATOM 349 CB CYS A 23 5.627 5.680 -2.877 1.00 0.00 C ATOM 350 SG CYS A 23 6.221 4.199 -2.013 1.00 0.00 S ATOM 0 H CYS A 23 4.416 3.982 -4.767 1.00 0.00 H new ATOM 0 HA CYS A 23 3.404 5.922 -2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.334 5.908 -3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.660 6.513 -2.174 1.00 0.00 H new ATOM 355 N ASP A 24 4.044 7.912 -4.270 1.00 0.00 N ATOM 356 CA ASP A 24 4.272 9.043 -5.154 1.00 0.00 C ATOM 357 C ASP A 24 5.783 9.274 -5.373 1.00 0.00 C ATOM 358 O ASP A 24 6.637 8.655 -4.725 1.00 0.00 O ATOM 359 CB ASP A 24 3.547 10.296 -4.626 1.00 0.00 C ATOM 360 CG ASP A 24 3.915 10.693 -3.194 1.00 0.00 C ATOM 361 OD1 ASP A 24 5.122 10.650 -2.864 1.00 0.00 O ATOM 362 OD2 ASP A 24 2.974 11.019 -2.440 1.00 0.00 O ATOM 0 H ASP A 24 3.737 8.180 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 24 3.847 8.820 -6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.768 11.133 -5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.472 10.125 -4.676 1.00 0.00 H new ATOM 367 N GLU A 25 6.126 10.208 -6.267 1.00 0.00 N ATOM 368 CA GLU A 25 7.516 10.551 -6.584 1.00 0.00 C ATOM 369 C GLU A 25 8.302 11.092 -5.378 1.00 0.00 C ATOM 370 O GLU A 25 9.523 10.961 -5.330 1.00 0.00 O ATOM 371 CB GLU A 25 7.592 11.510 -7.791 1.00 0.00 C ATOM 372 CG GLU A 25 7.252 12.998 -7.550 1.00 0.00 C ATOM 373 CD GLU A 25 5.773 13.336 -7.314 1.00 0.00 C ATOM 374 OE1 GLU A 25 4.919 12.434 -7.480 1.00 0.00 O ATOM 375 OE2 GLU A 25 5.525 14.519 -6.983 1.00 0.00 O ATOM 0 H GLU A 25 5.442 10.751 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 25 8.006 9.617 -6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.602 11.459 -8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.919 11.133 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.822 13.342 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.599 13.570 -8.410 1.00 0.00 H new ATOM 382 N ASN A 26 7.601 11.634 -4.378 1.00 0.00 N ATOM 383 CA ASN A 26 8.144 12.258 -3.173 1.00 0.00 C ATOM 384 C ASN A 26 8.460 11.218 -2.081 1.00 0.00 C ATOM 385 O ASN A 26 9.067 11.548 -1.062 1.00 0.00 O ATOM 386 CB ASN A 26 7.124 13.300 -2.652 1.00 0.00 C ATOM 387 CG ASN A 26 6.273 13.921 -3.755 1.00 0.00 C ATOM 388 OD1 ASN A 26 5.289 13.341 -4.189 1.00 0.00 O ATOM 389 ND2 ASN A 26 6.655 15.056 -4.302 1.00 0.00 N ATOM 0 H ASN A 26 6.581 11.649 -4.391 1.00 0.00 H new ATOM 0 HA ASN A 26 9.085 12.747 -3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.469 12.823 -1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.660 14.091 -2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.130 15.447 -5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.476 15.544 -3.943 1.00 0.00 H new ATOM 396 N GLY A 27 8.031 9.964 -2.270 1.00 0.00 N ATOM 397 CA GLY A 27 8.198 8.871 -1.319 1.00 0.00 C ATOM 398 C GLY A 27 7.126 8.797 -0.242 1.00 0.00 C ATOM 399 O GLY A 27 7.300 8.067 0.729 1.00 0.00 O ATOM 0 H GLY A 27 7.543 9.678 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.209 7.929 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.171 8.971 -0.838 1.00 0.00 H new ATOM 403 N ASN A 28 6.024 9.530 -0.392 1.00 0.00 N ATOM 404 CA ASN A 28 4.844 9.384 0.450 1.00 0.00 C ATOM 405 C ASN A 28 3.901 8.353 -0.188 1.00 0.00 C ATOM 406 O ASN A 28 3.967 8.079 -1.392 1.00 0.00 O ATOM 407 CB ASN A 28 4.213 10.770 0.665 1.00 0.00 C ATOM 408 CG ASN A 28 4.760 11.494 1.892 1.00 0.00 C ATOM 409 OD1 ASN A 28 4.016 12.081 2.662 1.00 0.00 O ATOM 410 ND2 ASN A 28 6.059 11.499 2.133 1.00 0.00 N ATOM 0 H ASN A 28 5.927 10.248 -1.110 1.00 0.00 H new ATOM 0 HA ASN A 28 5.093 9.001 1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.388 11.383 -0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.134 10.659 0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.424 11.987 2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.697 11.014 1.501 1.00 0.00 H new ATOM 417 N TYR A 29 3.061 7.728 0.638 1.00 0.00 N ATOM 418 CA TYR A 29 2.238 6.592 0.229 1.00 0.00 C ATOM 419 C TYR A 29 1.182 7.042 -0.779 1.00 0.00 C ATOM 420 O TYR A 29 0.507 8.052 -0.565 1.00 0.00 O ATOM 421 CB TYR A 29 1.597 5.931 1.456 1.00 0.00 C ATOM 422 CG TYR A 29 2.586 5.298 2.419 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.253 6.097 3.368 1.00 0.00 C ATOM 424 CD2 TYR A 29 2.861 3.916 2.361 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.185 5.531 4.249 1.00 0.00 C ATOM 426 CE2 TYR A 29 3.806 3.344 3.239 1.00 0.00 C ATOM 427 CZ TYR A 29 4.471 4.157 4.183 1.00 0.00 C ATOM 428 OH TYR A 29 5.398 3.647 5.034 1.00 0.00 O ATOM 0 H TYR A 29 2.933 7.998 1.613 1.00 0.00 H new ATOM 0 HA TYR A 29 2.870 5.849 -0.257 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.014 6.679 1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.898 5.166 1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.044 7.156 3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.347 3.294 1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.684 6.152 4.979 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.020 2.287 3.189 1.00 0.00 H new ATOM 0 HH TYR A 29 5.363 2.668 5.008 1.00 0.00 H new ATOM 438 N LEU A 30 1.029 6.290 -1.879 1.00 0.00 N ATOM 439 CA LEU A 30 -0.052 6.542 -2.827 1.00 0.00 C ATOM 440 C LEU A 30 -1.409 6.385 -2.104 1.00 0.00 C ATOM 441 O LEU A 30 -1.526 5.473 -1.280 1.00 0.00 O ATOM 442 CB LEU A 30 0.034 5.591 -4.035 1.00 0.00 C ATOM 443 CG LEU A 30 0.767 6.193 -5.242 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.109 5.096 -6.251 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.055 7.268 -5.958 1.00 0.00 C ATOM 0 H LEU A 30 1.638 5.510 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 30 0.041 7.560 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.543 4.676 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.975 5.309 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 30 1.672 6.659 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.629 5.534 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.751 4.353 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.191 4.617 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.513 7.658 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.988 6.833 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.276 8.079 -5.264 1.00 0.00 H new ATOM 457 N PRO A 31 -2.435 7.214 -2.397 1.00 0.00 N ATOM 458 CA PRO A 31 -3.723 7.185 -1.699 1.00 0.00 C ATOM 459 C PRO A 31 -4.407 5.814 -1.584 1.00 0.00 C ATOM 460 O PRO A 31 -5.160 5.620 -0.636 1.00 0.00 O ATOM 461 CB PRO A 31 -4.612 8.190 -2.432 1.00 0.00 C ATOM 462 CG PRO A 31 -3.613 9.210 -2.969 1.00 0.00 C ATOM 463 CD PRO A 31 -2.381 8.364 -3.290 1.00 0.00 C ATOM 0 HA PRO A 31 -3.548 7.440 -0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.177 7.717 -3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.337 8.651 -1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.994 9.717 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.390 9.981 -2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.387 8.048 -4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.465 8.935 -3.135 1.00 0.00 H new ATOM 471 N LEU A 32 -4.155 4.872 -2.505 1.00 0.00 N ATOM 472 CA LEU A 32 -4.549 3.462 -2.399 1.00 0.00 C ATOM 473 C LEU A 32 -3.321 2.598 -2.071 1.00 0.00 C ATOM 474 O LEU A 32 -2.279 2.733 -2.713 1.00 0.00 O ATOM 475 CB LEU A 32 -5.165 3.003 -3.735 1.00 0.00 C ATOM 476 CG LEU A 32 -5.695 1.548 -3.727 1.00 0.00 C ATOM 477 CD1 LEU A 32 -7.050 1.414 -3.048 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.802 1.028 -5.155 1.00 0.00 C ATOM 0 H LEU A 32 -3.656 5.078 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.283 3.351 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.984 3.674 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.415 3.099 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.980 0.958 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.369 0.372 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.972 1.744 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.782 2.030 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.175 0.004 -5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.489 1.658 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.819 1.050 -5.625 1.00 0.00 H new ATOM 490 N GLN A 33 -3.470 1.657 -1.133 1.00 0.00 N ATOM 491 CA GLN A 33 -2.494 0.602 -0.853 1.00 0.00 C ATOM 492 C GLN A 33 -3.170 -0.767 -0.994 1.00 0.00 C ATOM 493 O GLN A 33 -4.341 -0.921 -0.645 1.00 0.00 O ATOM 494 CB GLN A 33 -1.899 0.764 0.552 1.00 0.00 C ATOM 495 CG GLN A 33 -1.131 2.076 0.765 1.00 0.00 C ATOM 496 CD GLN A 33 0.088 2.250 -0.137 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.021 1.458 -0.136 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.152 3.311 -0.907 1.00 0.00 N ATOM 0 H GLN A 33 -4.294 1.608 -0.533 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.677 0.678 -1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.704 0.705 1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.228 -0.072 0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.811 2.911 0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.808 2.129 1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.618 3.980 -0.919 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.972 3.467 -1.494 1.00 0.00 H new ATOM 507 N CYS A 34 -2.429 -1.762 -1.496 1.00 0.00 N ATOM 508 CA CYS A 34 -2.950 -3.098 -1.777 1.00 0.00 C ATOM 509 C CYS A 34 -1.984 -4.201 -1.333 1.00 0.00 C ATOM 510 O CYS A 34 -0.864 -4.311 -1.831 1.00 0.00 O ATOM 511 CB CYS A 34 -3.280 -3.236 -3.268 1.00 0.00 C ATOM 512 SG CYS A 34 -4.672 -2.248 -3.882 1.00 0.00 S ATOM 0 H CYS A 34 -1.439 -1.657 -1.720 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.864 -3.222 -1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.392 -2.968 -3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.488 -4.286 -3.476 1.00 0.00 H new ATOM 517 N TYR A 35 -2.458 -5.072 -0.442 1.00 0.00 N ATOM 518 CA TYR A 35 -1.817 -6.319 -0.031 1.00 0.00 C ATOM 519 C TYR A 35 -2.187 -7.389 -1.073 1.00 0.00 C ATOM 520 O TYR A 35 -2.909 -8.353 -0.807 1.00 0.00 O ATOM 521 CB TYR A 35 -2.256 -6.608 1.415 1.00 0.00 C ATOM 522 CG TYR A 35 -1.676 -7.791 2.176 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.790 -8.724 1.593 1.00 0.00 C ATOM 524 CD2 TYR A 35 -2.052 -7.948 3.526 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.330 -9.820 2.346 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.574 -9.032 4.285 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.715 -9.980 3.694 1.00 0.00 C ATOM 528 OH TYR A 35 -0.258 -11.030 4.428 1.00 0.00 O ATOM 0 H TYR A 35 -3.345 -4.918 0.037 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.728 -6.285 -0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.044 -5.713 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.339 -6.732 1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.466 -8.596 0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.715 -7.228 3.983 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.325 -10.546 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.865 -9.137 5.320 1.00 0.00 H new ATOM 0 HH TYR A 35 0.629 -11.294 4.105 1.00 0.00 H new ATOM 538 N GLY A 36 -1.669 -7.186 -2.293 1.00 0.00 N ATOM 539 CA GLY A 36 -1.998 -7.955 -3.497 1.00 0.00 C ATOM 540 C GLY A 36 -1.844 -9.469 -3.341 1.00 0.00 C ATOM 541 O GLY A 36 -2.628 -10.216 -3.919 1.00 0.00 O ATOM 0 H GLY A 36 -0.983 -6.453 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.026 -7.734 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.359 -7.619 -4.314 1.00 0.00 H new ATOM 545 N SER A 37 -0.913 -9.922 -2.495 1.00 0.00 N ATOM 546 CA SER A 37 -0.685 -11.325 -2.131 1.00 0.00 C ATOM 547 C SER A 37 -1.913 -12.038 -1.541 1.00 0.00 C ATOM 548 O SER A 37 -1.957 -13.265 -1.573 1.00 0.00 O ATOM 549 CB SER A 37 0.465 -11.403 -1.125 1.00 0.00 C ATOM 550 OG SER A 37 1.561 -10.633 -1.574 1.00 0.00 O ATOM 0 H SER A 37 -0.267 -9.290 -2.022 1.00 0.00 H new ATOM 0 HA SER A 37 -0.448 -11.842 -3.061 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.132 -11.041 -0.152 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.771 -12.441 -0.992 1.00 0.00 H new ATOM 0 HG SER A 37 1.686 -9.864 -0.980 1.00 0.00 H new ATOM 556 N ILE A 38 -2.907 -11.295 -1.030 1.00 0.00 N ATOM 557 CA ILE A 38 -4.225 -11.789 -0.627 1.00 0.00 C ATOM 558 C ILE A 38 -5.370 -11.084 -1.387 1.00 0.00 C ATOM 559 O ILE A 38 -6.539 -11.344 -1.116 1.00 0.00 O ATOM 560 CB ILE A 38 -4.390 -11.672 0.905 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.300 -10.218 1.411 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.386 -12.587 1.631 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.798 -10.024 2.847 1.00 0.00 C ATOM 0 H ILE A 38 -2.806 -10.291 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.288 -12.843 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.399 -12.009 1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.263 -9.887 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.880 -9.577 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.519 -12.490 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.558 -13.622 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.370 -12.297 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.701 -8.975 3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.844 -10.322 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.203 -10.637 3.524 1.00 0.00 H new ATOM 575 N GLY A 39 -5.043 -10.180 -2.320 1.00 0.00 N ATOM 576 CA GLY A 39 -5.969 -9.400 -3.145 1.00 0.00 C ATOM 577 C GLY A 39 -6.547 -8.146 -2.477 1.00 0.00 C ATOM 578 O GLY A 39 -7.242 -7.382 -3.141 1.00 0.00 O ATOM 0 H GLY A 39 -4.069 -9.963 -2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.453 -9.100 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.795 -10.045 -3.444 1.00 0.00 H new ATOM 582 N TYR A 40 -6.245 -7.898 -1.198 1.00 0.00 N ATOM 583 CA TYR A 40 -6.923 -6.866 -0.402 1.00 0.00 C ATOM 584 C TYR A 40 -6.346 -5.468 -0.650 1.00 0.00 C ATOM 585 O TYR A 40 -5.154 -5.325 -0.922 1.00 0.00 O ATOM 586 CB TYR A 40 -6.791 -7.181 1.101 1.00 0.00 C ATOM 587 CG TYR A 40 -7.758 -8.195 1.695 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.162 -9.345 0.984 1.00 0.00 C ATOM 589 CD2 TYR A 40 -8.246 -7.986 3.001 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.064 -10.260 1.557 1.00 0.00 C ATOM 591 CE2 TYR A 40 -9.146 -8.897 3.582 1.00 0.00 C ATOM 592 CZ TYR A 40 -9.567 -10.026 2.854 1.00 0.00 C ATOM 593 OH TYR A 40 -10.483 -10.865 3.403 1.00 0.00 O ATOM 0 H TYR A 40 -5.525 -8.406 -0.685 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.969 -6.872 -0.709 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.777 -7.538 1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.903 -6.247 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.775 -9.524 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.926 -7.119 3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.370 -11.137 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.513 -8.731 4.584 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.717 -10.551 4.302 1.00 0.00 H new ATOM 603 N CYS A 41 -7.172 -4.430 -0.461 1.00 0.00 N ATOM 604 CA CYS A 41 -6.745 -3.028 -0.523 1.00 0.00 C ATOM 605 C CYS A 41 -7.404 -2.163 0.559 1.00 0.00 C ATOM 606 O CYS A 41 -8.406 -2.550 1.162 1.00 0.00 O ATOM 607 CB CYS A 41 -7.042 -2.434 -1.911 1.00 0.00 C ATOM 608 SG CYS A 41 -6.358 -3.287 -3.362 1.00 0.00 S ATOM 0 H CYS A 41 -8.165 -4.543 -0.259 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.670 -3.021 -0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.124 -2.386 -2.030 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.675 -1.408 -1.922 1.00 0.00 H new ATOM 613 N TRP A 42 -6.840 -0.973 0.778 1.00 0.00 N ATOM 614 CA TRP A 42 -7.391 0.114 1.589 1.00 0.00 C ATOM 615 C TRP A 42 -6.890 1.463 1.061 1.00 0.00 C ATOM 616 O TRP A 42 -5.891 1.527 0.337 1.00 0.00 O ATOM 617 CB TRP A 42 -6.993 -0.061 3.061 1.00 0.00 C ATOM 618 CG TRP A 42 -5.530 -0.154 3.337 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.719 0.873 3.675 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.688 -1.343 3.282 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.431 0.393 3.846 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.351 -0.957 3.579 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.920 -2.707 2.997 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.287 -1.867 3.565 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.861 -3.633 2.984 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.545 -3.217 3.260 1.00 0.00 C ATOM 0 H TRP A 42 -5.937 -0.729 0.372 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.479 0.087 1.521 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.397 0.778 3.628 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.472 -0.963 3.441 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.026 1.902 3.793 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.639 0.968 4.134 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.924 -3.044 2.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.282 -1.538 3.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.059 -4.671 2.761 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.735 -3.931 3.238 1.00 0.00 H new ATOM 637 N CYS A 43 -7.544 2.556 1.462 1.00 0.00 N ATOM 638 CA CYS A 43 -7.020 3.897 1.218 1.00 0.00 C ATOM 639 C CYS A 43 -6.117 4.302 2.387 1.00 0.00 C ATOM 640 O CYS A 43 -6.347 3.886 3.524 1.00 0.00 O ATOM 641 CB CYS A 43 -8.141 4.933 1.041 1.00 0.00 C ATOM 642 SG CYS A 43 -9.304 4.674 -0.322 1.00 0.00 S ATOM 0 H CYS A 43 -8.436 2.536 1.956 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.451 3.874 0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.712 4.974 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.678 5.911 0.908 1.00 0.00 H new ATOM 647 N VAL A 44 -5.137 5.169 2.133 1.00 0.00 N ATOM 648 CA VAL A 44 -4.269 5.763 3.155 1.00 0.00 C ATOM 649 C VAL A 44 -4.127 7.270 2.948 1.00 0.00 C ATOM 650 O VAL A 44 -4.278 7.777 1.836 1.00 0.00 O ATOM 651 CB VAL A 44 -2.847 5.160 3.158 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.836 3.664 3.477 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.095 5.383 1.842 1.00 0.00 C ATOM 0 H VAL A 44 -4.918 5.487 1.189 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.752 5.544 4.107 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.332 5.699 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.810 3.297 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.268 3.499 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.422 3.128 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.103 4.936 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.647 4.920 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.999 6.452 1.655 1.00 0.00 H new ATOM 663 N PHE A 45 -3.792 7.982 4.022 1.00 0.00 N ATOM 664 CA PHE A 45 -3.320 9.361 3.931 1.00 0.00 C ATOM 665 C PHE A 45 -1.829 9.311 3.505 1.00 0.00 C ATOM 666 O PHE A 45 -1.190 8.269 3.684 1.00 0.00 O ATOM 667 CB PHE A 45 -3.528 10.049 5.288 1.00 0.00 C ATOM 668 CG PHE A 45 -4.987 10.188 5.688 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.803 11.148 5.059 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.537 9.354 6.681 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.157 11.271 5.421 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.888 9.477 7.046 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.700 10.438 6.415 1.00 0.00 C ATOM 0 H PHE A 45 -3.840 7.621 4.975 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.872 9.942 3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.003 9.482 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.074 11.039 5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.388 11.791 4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.916 8.615 7.165 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.780 12.007 4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.303 8.835 7.809 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.739 10.535 6.694 1.00 0.00 H new ATOM 683 N PRO A 46 -1.228 10.389 2.957 1.00 0.00 N ATOM 684 CA PRO A 46 0.137 10.364 2.405 1.00 0.00 C ATOM 685 C PRO A 46 1.241 9.837 3.341 1.00 0.00 C ATOM 686 O PRO A 46 2.256 9.324 2.869 1.00 0.00 O ATOM 687 CB PRO A 46 0.427 11.808 1.982 1.00 0.00 C ATOM 688 CG PRO A 46 -0.957 12.353 1.642 1.00 0.00 C ATOM 689 CD PRO A 46 -1.862 11.668 2.665 1.00 0.00 C ATOM 0 HA PRO A 46 0.161 9.647 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.898 12.376 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.099 11.850 1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.996 13.439 1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.247 12.108 0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.960 12.272 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.866 11.525 2.266 1.00 0.00 H new ATOM 697 N ASN A 47 1.035 9.913 4.662 1.00 0.00 N ATOM 698 CA ASN A 47 1.913 9.374 5.695 1.00 0.00 C ATOM 699 C ASN A 47 1.835 7.841 5.870 1.00 0.00 C ATOM 700 O ASN A 47 2.677 7.281 6.568 1.00 0.00 O ATOM 701 CB ASN A 47 1.586 10.078 7.024 1.00 0.00 C ATOM 702 CG ASN A 47 0.327 9.514 7.672 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.664 9.235 7.012 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.352 9.272 8.964 1.00 0.00 N ATOM 0 H ASN A 47 0.213 10.374 5.052 1.00 0.00 H new ATOM 0 HA ASN A 47 2.937 9.570 5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.427 9.969 7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.456 11.146 6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.457 8.850 9.420 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.181 9.506 9.511 1.00 0.00 H new ATOM 711 N GLY A 48 0.832 7.177 5.279 1.00 0.00 N ATOM 712 CA GLY A 48 0.574 5.739 5.380 1.00 0.00 C ATOM 713 C GLY A 48 -0.575 5.348 6.320 1.00 0.00 C ATOM 714 O GLY A 48 -0.870 4.160 6.433 1.00 0.00 O ATOM 0 H GLY A 48 0.148 7.653 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.355 5.354 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.485 5.245 5.719 1.00 0.00 H new ATOM 718 N THR A 49 -1.238 6.300 6.994 1.00 0.00 N ATOM 719 CA THR A 49 -2.356 6.010 7.906 1.00 0.00 C ATOM 720 C THR A 49 -3.585 5.581 7.105 1.00 0.00 C ATOM 721 O THR A 49 -4.096 6.359 6.303 1.00 0.00 O ATOM 722 CB THR A 49 -2.694 7.222 8.794 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.633 7.461 9.693 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.932 7.012 9.671 1.00 0.00 C ATOM 0 H THR A 49 -1.015 7.293 6.922 1.00 0.00 H new ATOM 0 HA THR A 49 -2.050 5.196 8.563 1.00 0.00 H new ATOM 0 HB THR A 49 -2.872 8.046 8.103 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.916 8.113 10.367 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.110 7.906 10.269 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.798 6.821 9.038 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.770 6.160 10.331 1.00 0.00 H new ATOM 732 N GLU A 50 -4.058 4.350 7.326 1.00 0.00 N ATOM 733 CA GLU A 50 -5.274 3.805 6.717 1.00 0.00 C ATOM 734 C GLU A 50 -6.522 4.660 6.989 1.00 0.00 C ATOM 735 O GLU A 50 -6.782 5.067 8.122 1.00 0.00 O ATOM 736 CB GLU A 50 -5.481 2.361 7.217 1.00 0.00 C ATOM 737 CG GLU A 50 -6.745 1.706 6.635 1.00 0.00 C ATOM 738 CD GLU A 50 -6.899 0.247 7.064 1.00 0.00 C ATOM 739 OE1 GLU A 50 -6.061 -0.576 6.637 1.00 0.00 O ATOM 740 OE2 GLU A 50 -7.866 -0.024 7.812 1.00 0.00 O ATOM 0 H GLU A 50 -3.594 3.689 7.949 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.137 3.815 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.611 1.761 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.546 2.364 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.622 2.270 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.710 1.760 5.547 1.00 0.00 H new ATOM 747 N VAL A 51 -7.334 4.856 5.945 1.00 0.00 N ATOM 748 CA VAL A 51 -8.678 5.427 6.027 1.00 0.00 C ATOM 749 C VAL A 51 -9.623 4.265 6.391 1.00 0.00 C ATOM 750 O VAL A 51 -9.799 3.351 5.570 1.00 0.00 O ATOM 751 CB VAL A 51 -9.106 6.070 4.695 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.481 6.738 4.830 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.103 7.126 4.206 1.00 0.00 C ATOM 0 H VAL A 51 -7.064 4.614 4.992 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.708 6.220 6.774 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.146 5.260 3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.763 7.186 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.222 5.991 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.436 7.513 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.451 7.549 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.017 7.918 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.129 6.661 4.057 1.00 0.00 H new ATOM 763 N PRO A 52 -10.192 4.239 7.612 1.00 0.00 N ATOM 764 CA PRO A 52 -10.917 3.077 8.116 1.00 0.00 C ATOM 765 C PRO A 52 -12.157 2.756 7.275 1.00 0.00 C ATOM 766 O PRO A 52 -12.690 3.603 6.560 1.00 0.00 O ATOM 767 CB PRO A 52 -11.257 3.400 9.576 1.00 0.00 C ATOM 768 CG PRO A 52 -11.279 4.926 9.608 1.00 0.00 C ATOM 769 CD PRO A 52 -10.191 5.303 8.605 1.00 0.00 C ATOM 0 HA PRO A 52 -10.311 2.173 8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.219 2.979 9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.512 2.995 10.261 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.252 5.322 9.317 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.062 5.313 10.604 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.399 6.269 8.145 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.219 5.384 9.092 1.00 0.00 H new ATOM 777 N ASN A 53 -12.608 1.501 7.370 1.00 0.00 N ATOM 778 CA ASN A 53 -13.680 0.878 6.588 1.00 0.00 C ATOM 779 C ASN A 53 -13.393 0.732 5.077 1.00 0.00 C ATOM 780 O ASN A 53 -14.177 0.079 4.394 1.00 0.00 O ATOM 781 CB ASN A 53 -15.015 1.592 6.859 1.00 0.00 C ATOM 782 CG ASN A 53 -15.306 1.762 8.341 1.00 0.00 C ATOM 783 OD1 ASN A 53 -15.617 0.819 9.047 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.194 2.972 8.856 1.00 0.00 N ATOM 0 H ASN A 53 -12.205 0.848 8.043 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.744 -0.153 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.000 2.572 6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.824 1.026 6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.368 3.121 9.850 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.933 3.758 8.260 1.00 0.00 H new ATOM 791 N THR A 54 -12.272 1.251 4.546 1.00 0.00 N ATOM 792 CA THR A 54 -11.868 0.981 3.153 1.00 0.00 C ATOM 793 C THR A 54 -11.236 -0.397 3.005 1.00 0.00 C ATOM 794 O THR A 54 -11.210 -0.916 1.896 1.00 0.00 O ATOM 795 CB THR A 54 -10.888 2.020 2.580 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.689 2.085 3.330 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.515 3.415 2.555 1.00 0.00 C ATOM 0 H THR A 54 -11.631 1.858 5.057 1.00 0.00 H new ATOM 0 HA THR A 54 -12.797 1.037 2.586 1.00 0.00 H new ATOM 0 HB THR A 54 -10.659 1.696 1.565 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.889 2.384 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.800 4.128 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.410 3.401 1.933 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.783 3.712 3.569 1.00 0.00 H new ATOM 805 N ARG A 55 -10.746 -0.991 4.104 1.00 0.00 N ATOM 806 CA ARG A 55 -10.000 -2.249 4.141 1.00 0.00 C ATOM 807 C ARG A 55 -10.848 -3.410 3.600 1.00 0.00 C ATOM 808 O ARG A 55 -11.576 -4.075 4.347 1.00 0.00 O ATOM 809 CB ARG A 55 -9.431 -2.465 5.558 1.00 0.00 C ATOM 810 CG ARG A 55 -8.133 -3.292 5.601 1.00 0.00 C ATOM 811 CD ARG A 55 -8.223 -4.694 4.987 1.00 0.00 C ATOM 812 NE ARG A 55 -9.324 -5.475 5.576 1.00 0.00 N ATOM 813 CZ ARG A 55 -9.243 -6.573 6.314 1.00 0.00 C ATOM 814 NH1 ARG A 55 -8.089 -7.082 6.671 1.00 0.00 N ATOM 815 NH2 ARG A 55 -10.336 -7.188 6.704 1.00 0.00 N ATOM 0 H ARG A 55 -10.867 -0.585 5.032 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.142 -2.204 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.244 -1.493 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.185 -2.963 6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.352 -2.737 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.819 -3.389 6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.370 -4.611 3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.281 -5.220 5.140 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.266 -5.128 5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.221 -6.632 6.380 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.059 -7.928 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.250 -6.821 6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.271 -8.033 7.272 1.00 0.00 H new ATOM 829 N SER A 56 -10.729 -3.666 2.296 1.00 0.00 N ATOM 830 CA SER A 56 -11.594 -4.536 1.500 1.00 0.00 C ATOM 831 C SER A 56 -10.849 -5.683 0.818 1.00 0.00 C ATOM 832 O SER A 56 -9.642 -5.606 0.587 1.00 0.00 O ATOM 833 CB SER A 56 -12.308 -3.665 0.458 1.00 0.00 C ATOM 834 OG SER A 56 -13.278 -4.419 -0.243 1.00 0.00 O ATOM 0 H SER A 56 -9.985 -3.248 1.737 1.00 0.00 H new ATOM 0 HA SER A 56 -12.305 -5.014 2.174 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.785 -2.817 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.580 -3.258 -0.243 1.00 0.00 H new ATOM 0 HG SER A 56 -13.724 -3.847 -0.902 1.00 0.00 H new ATOM 840 N ARG A 57 -11.616 -6.708 0.417 1.00 0.00 N ATOM 841 CA ARG A 57 -11.222 -7.887 -0.365 1.00 0.00 C ATOM 842 C ARG A 57 -10.633 -7.549 -1.744 1.00 0.00 C ATOM 843 O ARG A 57 -10.064 -8.432 -2.378 1.00 0.00 O ATOM 844 CB ARG A 57 -12.442 -8.821 -0.544 1.00 0.00 C ATOM 845 CG ARG A 57 -12.765 -9.791 0.609 1.00 0.00 C ATOM 846 CD ARG A 57 -13.491 -9.190 1.820 1.00 0.00 C ATOM 847 NE ARG A 57 -12.566 -8.522 2.747 1.00 0.00 N ATOM 848 CZ ARG A 57 -12.746 -7.351 3.337 1.00 0.00 C ATOM 849 NH1 ARG A 57 -13.886 -6.704 3.274 1.00 0.00 N ATOM 850 NH2 ARG A 57 -11.761 -6.773 3.975 1.00 0.00 N ATOM 0 H ARG A 57 -12.608 -6.735 0.651 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.430 -8.379 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.320 -8.199 -0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.286 -9.411 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.375 -10.603 0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.831 -10.234 0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.237 -8.474 1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.026 -9.979 2.349 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.696 -9.011 2.957 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.670 -7.102 2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.988 -5.803 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.848 -7.225 4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.906 -5.871 4.428 1.00 0.00 H new ATOM 864 N GLY A 58 -10.774 -6.301 -2.209 1.00 0.00 N ATOM 865 CA GLY A 58 -10.315 -5.855 -3.523 1.00 0.00 C ATOM 866 C GLY A 58 -10.224 -4.338 -3.682 1.00 0.00 C ATOM 867 O GLY A 58 -10.449 -3.564 -2.747 1.00 0.00 O ATOM 0 H GLY A 58 -11.220 -5.561 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.333 -6.287 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.992 -6.247 -4.282 1.00 0.00 H new ATOM 871 N HIS A 59 -9.860 -3.951 -4.907 1.00 0.00 N ATOM 872 CA HIS A 59 -9.528 -2.603 -5.356 1.00 0.00 C ATOM 873 C HIS A 59 -10.628 -1.558 -5.120 1.00 0.00 C ATOM 874 O HIS A 59 -11.819 -1.863 -5.044 1.00 0.00 O ATOM 875 CB HIS A 59 -9.202 -2.692 -6.856 1.00 0.00 C ATOM 876 CG HIS A 59 -8.480 -1.491 -7.407 1.00 0.00 C ATOM 877 ND1 HIS A 59 -9.037 -0.409 -8.059 1.00 0.00 N ATOM 878 CD2 HIS A 59 -7.129 -1.295 -7.350 1.00 0.00 C ATOM 879 CE1 HIS A 59 -8.030 0.417 -8.392 1.00 0.00 C ATOM 880 NE2 HIS A 59 -6.852 -0.087 -7.994 1.00 0.00 N ATOM 0 H HIS A 59 -9.785 -4.627 -5.667 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.683 -2.255 -4.762 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.593 -3.579 -7.031 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.131 -2.828 -7.410 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.407 -1.954 -6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.152 1.357 -8.909 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.932 0.331 -8.135 1.00 0.00 H new ATOM 888 N HIS A 60 -10.202 -0.298 -5.053 1.00 0.00 N ATOM 889 CA HIS A 60 -11.026 0.906 -5.059 1.00 0.00 C ATOM 890 C HIS A 60 -10.169 2.075 -5.568 1.00 0.00 C ATOM 891 O HIS A 60 -8.949 1.958 -5.660 1.00 0.00 O ATOM 892 CB HIS A 60 -11.653 1.160 -3.677 1.00 0.00 C ATOM 893 CG HIS A 60 -10.897 0.607 -2.490 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.054 -0.646 -1.938 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.950 1.256 -1.751 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.253 -0.709 -0.863 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.550 0.419 -0.722 1.00 0.00 N ATOM 0 H HIS A 60 -9.208 -0.078 -4.989 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.873 0.787 -5.735 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.762 2.236 -3.543 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.657 0.735 -3.673 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.665 -1.387 -2.282 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.576 2.252 -1.937 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.185 -1.559 -0.200 1.00 0.00 H new ATOM 905 N ASN A 61 -10.782 3.215 -5.892 1.00 0.00 N ATOM 906 CA ASN A 61 -10.128 4.298 -6.611 1.00 0.00 C ATOM 907 C ASN A 61 -9.935 5.553 -5.738 1.00 0.00 C ATOM 908 O ASN A 61 -10.436 6.634 -6.047 1.00 0.00 O ATOM 909 CB ASN A 61 -10.877 4.510 -7.940 1.00 0.00 C ATOM 910 CG ASN A 61 -10.661 3.355 -8.921 1.00 0.00 C ATOM 911 OD1 ASN A 61 -10.915 2.190 -8.639 1.00 0.00 O ATOM 912 ND2 ASN A 61 -10.173 3.637 -10.111 1.00 0.00 N ATOM 0 H ASN A 61 -11.756 3.409 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.100 4.034 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.943 4.619 -7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.542 5.440 -8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.011 2.890 -10.786 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.957 4.603 -10.358 1.00 0.00 H new ATOM 919 N CYS A 62 -9.166 5.408 -4.652 1.00 0.00 N ATOM 920 CA CYS A 62 -8.891 6.443 -3.651 1.00 0.00 C ATOM 921 C CYS A 62 -8.384 7.756 -4.251 1.00 0.00 C ATOM 922 O CYS A 62 -7.241 7.816 -4.702 1.00 0.00 O ATOM 923 CB CYS A 62 -7.810 5.962 -2.696 1.00 0.00 C ATOM 924 SG CYS A 62 -8.083 4.370 -1.907 1.00 0.00 S ATOM 0 H CYS A 62 -8.698 4.527 -4.439 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.843 6.626 -3.153 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.869 5.914 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.687 6.712 -1.915 1.00 0.00 H new ATOM 929 N SER A 63 -9.217 8.801 -4.279 1.00 0.00 N ATOM 930 CA SER A 63 -8.935 10.063 -4.987 1.00 0.00 C ATOM 931 C SER A 63 -8.417 9.873 -6.429 1.00 0.00 C ATOM 932 O SER A 63 -7.712 10.732 -6.959 1.00 0.00 O ATOM 933 CB SER A 63 -8.002 10.938 -4.135 1.00 0.00 C ATOM 934 OG SER A 63 -7.797 12.176 -4.777 1.00 0.00 O ATOM 0 H SER A 63 -10.120 8.798 -3.805 1.00 0.00 H new ATOM 0 HA SER A 63 -9.885 10.581 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.437 11.096 -3.148 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.048 10.432 -3.986 1.00 0.00 H new ATOM 0 HG SER A 63 -7.625 12.026 -5.730 1.00 0.00 H new ATOM 940 N GLU A 64 -8.764 8.737 -7.042 1.00 0.00 N ATOM 941 CA GLU A 64 -8.301 8.260 -8.357 1.00 0.00 C ATOM 942 C GLU A 64 -6.791 7.939 -8.404 1.00 0.00 C ATOM 943 O GLU A 64 -6.136 8.002 -9.443 1.00 0.00 O ATOM 944 CB GLU A 64 -8.794 9.215 -9.471 1.00 0.00 C ATOM 945 CG GLU A 64 -8.919 8.587 -10.868 1.00 0.00 C ATOM 946 CD GLU A 64 -9.987 7.494 -10.915 1.00 0.00 C ATOM 947 OE1 GLU A 64 -11.171 7.849 -11.100 1.00 0.00 O ATOM 948 OE2 GLU A 64 -9.610 6.313 -10.732 1.00 0.00 O ATOM 0 H GLU A 64 -9.416 8.083 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.758 7.289 -8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.767 9.613 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.109 10.061 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.163 9.363 -11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.958 8.167 -11.163 1.00 0.00 H new ATOM 955 N SER A 65 -6.215 7.592 -7.253 1.00 0.00 N ATOM 956 CA SER A 65 -4.840 7.114 -7.064 1.00 0.00 C ATOM 957 C SER A 65 -4.712 6.463 -5.685 1.00 0.00 C ATOM 958 O SER A 65 -3.653 5.973 -5.290 1.00 0.00 O ATOM 959 CB SER A 65 -3.857 8.280 -7.211 1.00 0.00 C ATOM 960 OG SER A 65 -3.799 8.665 -8.569 1.00 0.00 O ATOM 0 H SER A 65 -6.726 7.639 -6.371 1.00 0.00 H new ATOM 0 HA SER A 65 -4.602 6.370 -7.825 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.176 9.121 -6.595 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.868 7.985 -6.861 1.00 0.00 H new ATOM 0 HG SER A 65 -4.456 8.150 -9.083 1.00 0.00 H new TER 966 SER A 65