USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 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 51 THR OG1 : rot -177:sc= -3.15! USER MOD Set 1.2: A 97 MET CE :methyl 148:sc= -10! (180deg=-12.2!) USER MOD Set 2.1: A 59 MET CE :methyl -131:sc= -13.8! (180deg=-12.8!) USER MOD Set 2.2: A 88 MET CE :methyl -159:sc= -15.9! (180deg=-11.5!) USER MOD Set 2.3: B 72 THR OG1 : rot 75:sc= -2.71! USER MOD Set 3.1: A 55 SER OG : rot 130:sc= -2.01! USER MOD Set 3.2: A 57 LYS NZ :NH3+ -172:sc= 0.957 (180deg=0) USER MOD Set 4.1: A 28 THR OG1 : rot -148:sc= -5.29! USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 3 HIS : no HD1:sc= -5.33! C(o=-5.3!,f=-3.9!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.017 USER MOD Single : A 19 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 29:sc= -5.24! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.694 K(o=-0.69,f=-0.13) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 36:sc= 0.104 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -4.2 K(o=-4.2,f=-7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 174:sc= -0.679 (180deg=-0.754) USER MOD Single : A 87 HIS : no HE2:sc= -5.61! C(o=-5.6!,f=-6.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0498 X(o=-0.05,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.1!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.5!) USER MOD Single : A 106 GLN : amide:sc=-0.00561 K(o=-0.0056,f=-0.64) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 1.534 -14.300 2.429 1.00 0.00 N ATOM 29 CA HIS A 3 1.925 -13.391 1.356 1.00 0.00 C ATOM 30 C HIS A 3 0.870 -13.350 0.265 1.00 0.00 C ATOM 31 O HIS A 3 0.567 -12.290 -0.283 1.00 0.00 O ATOM 32 CB HIS A 3 3.271 -13.815 0.765 1.00 0.00 C ATOM 33 CG HIS A 3 4.362 -13.941 1.782 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.834 -15.155 2.234 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.078 -12.995 2.435 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.792 -14.951 3.120 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.960 -13.649 3.260 1.00 0.00 N ATOM 0 HA HIS A 3 2.020 -12.391 1.780 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.149 -14.771 0.256 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.572 -13.088 0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.975 -11.925 2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.344 -15.719 3.641 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.635 -13.202 3.880 1.00 0.00 H new ATOM 46 N SER A 4 0.312 -14.507 -0.043 1.00 0.00 N ATOM 47 CA SER A 4 -0.715 -14.600 -1.069 1.00 0.00 C ATOM 48 C SER A 4 -2.090 -14.316 -0.485 1.00 0.00 C ATOM 49 O SER A 4 -2.464 -14.850 0.559 1.00 0.00 O ATOM 50 CB SER A 4 -0.708 -15.974 -1.737 1.00 0.00 C ATOM 51 OG SER A 4 -1.081 -16.990 -0.822 1.00 0.00 O ATOM 0 H SER A 4 0.551 -15.394 0.400 1.00 0.00 H new ATOM 0 HA SER A 4 -0.490 -13.848 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.395 -15.973 -2.584 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.286 -16.184 -2.133 1.00 0.00 H new ATOM 0 HG SER A 4 -1.070 -17.859 -1.275 1.00 0.00 H new ATOM 57 N GLY A 5 -2.831 -13.468 -1.176 1.00 0.00 N ATOM 58 CA GLY A 5 -4.162 -13.102 -0.744 1.00 0.00 C ATOM 59 C GLY A 5 -4.948 -12.495 -1.879 1.00 0.00 C ATOM 60 O GLY A 5 -4.438 -12.384 -2.991 1.00 0.00 O ATOM 0 H GLY A 5 -2.529 -13.020 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.681 -13.983 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.099 -12.392 0.081 1.00 0.00 H new ATOM 64 N ALA A 6 -6.185 -12.102 -1.620 1.00 0.00 N ATOM 65 CA ALA A 6 -7.005 -11.507 -2.662 1.00 0.00 C ATOM 66 C ALA A 6 -7.165 -10.010 -2.452 1.00 0.00 C ATOM 67 O ALA A 6 -7.324 -9.539 -1.326 1.00 0.00 O ATOM 68 CB ALA A 6 -8.361 -12.186 -2.732 1.00 0.00 C ATOM 0 H ALA A 6 -6.638 -12.183 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.494 -11.658 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.959 -11.725 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.227 -13.245 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.873 -12.076 -1.776 1.00 0.00 H new ATOM 74 N ALA A 7 -7.121 -9.270 -3.552 1.00 0.00 N ATOM 75 CA ALA A 7 -7.260 -7.822 -3.512 1.00 0.00 C ATOM 76 C ALA A 7 -7.944 -7.317 -4.771 1.00 0.00 C ATOM 77 O ALA A 7 -7.964 -8.005 -5.791 1.00 0.00 O ATOM 78 CB ALA A 7 -5.900 -7.161 -3.341 1.00 0.00 C ATOM 0 H ALA A 7 -6.989 -9.653 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.881 -7.559 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.023 -6.078 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.446 -7.499 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.256 -7.432 -4.178 1.00 0.00 H new ATOM 84 N ILE A 8 -8.514 -6.120 -4.702 1.00 0.00 N ATOM 85 CA ILE A 8 -9.200 -5.557 -5.853 1.00 0.00 C ATOM 86 C ILE A 8 -8.800 -4.113 -6.113 1.00 0.00 C ATOM 87 O ILE A 8 -8.559 -3.338 -5.187 1.00 0.00 O ATOM 88 CB ILE A 8 -10.727 -5.622 -5.690 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.176 -7.062 -5.489 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.405 -5.029 -6.914 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.344 -7.201 -4.539 1.00 0.00 C ATOM 0 H ILE A 8 -8.514 -5.528 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.897 -6.166 -6.705 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.011 -5.043 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.450 -7.487 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.338 -7.646 -5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.487 -5.079 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.101 -3.989 -7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.114 -5.593 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.611 -8.253 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.067 -6.806 -3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.197 -6.644 -4.927 1.00 0.00 H new ATOM 103 N PHE A 9 -8.753 -3.764 -7.390 1.00 0.00 N ATOM 104 CA PHE A 9 -8.408 -2.415 -7.810 1.00 0.00 C ATOM 105 C PHE A 9 -9.209 -2.027 -9.048 1.00 0.00 C ATOM 106 O PHE A 9 -9.480 -2.866 -9.904 1.00 0.00 O ATOM 107 CB PHE A 9 -6.912 -2.296 -8.089 1.00 0.00 C ATOM 108 CG PHE A 9 -6.449 -0.872 -8.156 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.856 -0.056 -9.195 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.620 -0.349 -7.178 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.442 1.261 -9.262 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.203 0.967 -7.238 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.614 1.773 -8.282 1.00 0.00 C ATOM 0 H PHE A 9 -8.952 -4.404 -8.159 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.658 -1.731 -6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.358 -2.818 -7.309 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.681 -2.794 -9.031 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.504 -0.452 -9.963 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.296 -0.976 -6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.765 1.889 -10.079 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.557 1.365 -6.470 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.289 2.802 -8.332 1.00 0.00 H new ATOM 123 N GLU A 10 -9.587 -0.754 -9.131 1.00 0.00 N ATOM 124 CA GLU A 10 -10.368 -0.237 -10.254 1.00 0.00 C ATOM 125 C GLU A 10 -11.477 -1.211 -10.642 1.00 0.00 C ATOM 126 O GLU A 10 -11.695 -1.487 -11.822 1.00 0.00 O ATOM 127 CB GLU A 10 -9.466 0.029 -11.453 1.00 0.00 C ATOM 128 CG GLU A 10 -8.761 -1.215 -11.937 1.00 0.00 C ATOM 129 CD GLU A 10 -7.853 -0.954 -13.123 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.090 0.037 -13.845 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.905 -1.742 -13.329 1.00 0.00 O ATOM 0 H GLU A 10 -9.362 -0.053 -8.425 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.826 0.701 -9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.062 0.444 -12.266 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.724 0.781 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.173 -1.634 -11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.504 -1.964 -12.212 1.00 0.00 H new ATOM 138 N LYS A 11 -12.174 -1.724 -9.635 1.00 0.00 N ATOM 139 CA LYS A 11 -13.269 -2.665 -9.850 1.00 0.00 C ATOM 140 C LYS A 11 -12.785 -3.948 -10.523 1.00 0.00 C ATOM 141 O LYS A 11 -13.584 -4.700 -11.082 1.00 0.00 O ATOM 142 CB LYS A 11 -14.387 -2.029 -10.691 1.00 0.00 C ATOM 143 CG LYS A 11 -14.257 -0.523 -10.869 1.00 0.00 C ATOM 144 CD LYS A 11 -15.592 0.116 -11.218 1.00 0.00 C ATOM 145 CE LYS A 11 -15.567 1.619 -10.988 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.787 2.283 -11.524 1.00 0.00 N ATOM 0 H LYS A 11 -11.999 -1.503 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.666 -2.920 -8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.399 -2.500 -11.674 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.347 -2.246 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.869 -0.080 -9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.534 -0.310 -11.656 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.834 -0.090 -12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.380 -0.333 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.483 1.822 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.683 2.044 -11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.731 3.306 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.854 2.111 -12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.629 1.896 -11.052 1.00 0.00 H new ATOM 160 N VAL A 12 -11.482 -4.208 -10.456 1.00 0.00 N ATOM 161 CA VAL A 12 -10.922 -5.415 -11.048 1.00 0.00 C ATOM 162 C VAL A 12 -10.290 -6.272 -9.966 1.00 0.00 C ATOM 163 O VAL A 12 -9.338 -5.852 -9.310 1.00 0.00 O ATOM 164 CB VAL A 12 -9.868 -5.094 -12.125 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.418 -6.367 -12.826 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.417 -4.092 -13.129 1.00 0.00 C ATOM 0 H VAL A 12 -10.800 -3.602 -10.000 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.739 -5.954 -11.528 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.002 -4.647 -11.637 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.674 -6.122 -13.583 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.982 -7.049 -12.096 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.276 -6.843 -13.301 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.658 -3.878 -13.882 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.300 -4.509 -13.613 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.686 -3.170 -12.613 1.00 0.00 H new ATOM 176 N SER A 13 -10.837 -7.463 -9.759 1.00 0.00 N ATOM 177 CA SER A 13 -10.326 -8.353 -8.729 1.00 0.00 C ATOM 178 C SER A 13 -9.147 -9.176 -9.223 1.00 0.00 C ATOM 179 O SER A 13 -8.976 -9.396 -10.421 1.00 0.00 O ATOM 180 CB SER A 13 -11.432 -9.272 -8.212 1.00 0.00 C ATOM 181 OG SER A 13 -12.712 -8.797 -8.589 1.00 0.00 O ATOM 0 H SER A 13 -11.628 -7.831 -10.287 1.00 0.00 H new ATOM 0 HA SER A 13 -9.973 -7.727 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.285 -10.278 -8.604 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.373 -9.341 -7.126 1.00 0.00 H new ATOM 0 HG SER A 13 -13.400 -9.405 -8.247 1.00 0.00 H new ATOM 187 N GLY A 14 -8.330 -9.604 -8.269 1.00 0.00 N ATOM 188 CA GLY A 14 -7.147 -10.381 -8.571 1.00 0.00 C ATOM 189 C GLY A 14 -6.514 -10.935 -7.315 1.00 0.00 C ATOM 190 O GLY A 14 -7.032 -10.736 -6.216 1.00 0.00 O ATOM 0 H GLY A 14 -8.471 -9.422 -7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.409 -11.201 -9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.426 -9.757 -9.099 1.00 0.00 H new ATOM 194 N ILE A 15 -5.393 -11.627 -7.464 1.00 0.00 N ATOM 195 CA ILE A 15 -4.707 -12.196 -6.315 1.00 0.00 C ATOM 196 C ILE A 15 -3.436 -11.411 -6.032 1.00 0.00 C ATOM 197 O ILE A 15 -2.670 -11.089 -6.940 1.00 0.00 O ATOM 198 CB ILE A 15 -4.347 -13.683 -6.523 1.00 0.00 C ATOM 199 CG1 ILE A 15 -5.447 -14.398 -7.311 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.123 -14.367 -5.179 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.084 -15.813 -7.708 1.00 0.00 C ATOM 0 H ILE A 15 -4.943 -11.806 -8.362 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.391 -12.132 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.423 -13.737 -7.099 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.357 -14.420 -6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.671 -13.823 -8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.870 -15.415 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.306 -13.874 -4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.032 -14.302 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.910 -16.258 -8.263 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.192 -15.798 -8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.889 -16.403 -6.813 1.00 0.00 H new ATOM 213 N ILE A 16 -3.244 -11.084 -4.765 1.00 0.00 N ATOM 214 CA ILE A 16 -2.097 -10.306 -4.331 1.00 0.00 C ATOM 215 C ILE A 16 -1.079 -11.198 -3.619 1.00 0.00 C ATOM 216 O ILE A 16 -1.430 -11.942 -2.704 1.00 0.00 O ATOM 217 CB ILE A 16 -2.556 -9.177 -3.388 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.372 -8.330 -2.925 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.312 -9.749 -2.197 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.761 -6.907 -2.593 1.00 0.00 C ATOM 0 H ILE A 16 -3.877 -11.350 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.621 -9.870 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.232 -8.527 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.922 -8.793 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.611 -8.321 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.628 -8.937 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.188 -10.293 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.662 -10.428 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.879 -6.354 -2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.185 -6.430 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.501 -6.909 -1.792 1.00 0.00 H new ATOM 232 N ALA A 17 0.176 -11.146 -4.062 1.00 0.00 N ATOM 233 CA ALA A 17 1.221 -11.982 -3.472 1.00 0.00 C ATOM 234 C ALA A 17 2.550 -11.247 -3.314 1.00 0.00 C ATOM 235 O ALA A 17 2.961 -10.492 -4.193 1.00 0.00 O ATOM 236 CB ALA A 17 1.428 -13.217 -4.331 1.00 0.00 C ATOM 0 H ALA A 17 0.492 -10.541 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 17 0.884 -12.259 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.207 -13.840 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.498 -13.783 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.728 -12.916 -5.335 1.00 0.00 H new ATOM 242 N ILE A 18 3.230 -11.504 -2.194 1.00 0.00 N ATOM 243 CA ILE A 18 4.530 -10.897 -1.922 1.00 0.00 C ATOM 244 C ILE A 18 5.659 -11.836 -2.339 1.00 0.00 C ATOM 245 O ILE A 18 5.548 -13.056 -2.215 1.00 0.00 O ATOM 246 CB ILE A 18 4.701 -10.537 -0.432 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.605 -9.568 0.010 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.077 -9.935 -0.180 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.736 -10.120 1.112 1.00 0.00 C ATOM 0 H ILE A 18 2.899 -12.131 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 18 4.576 -9.978 -2.506 1.00 0.00 H new ATOM 0 HB ILE A 18 4.614 -11.451 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.064 -8.639 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.980 -9.320 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.178 -9.688 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.846 -10.655 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.193 -9.030 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.978 -9.384 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.250 -11.033 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.351 -10.342 1.984 1.00 0.00 H new ATOM 261 N ASN A 19 6.739 -11.252 -2.835 1.00 0.00 N ATOM 262 CA ASN A 19 7.899 -12.015 -3.280 1.00 0.00 C ATOM 263 C ASN A 19 9.158 -11.558 -2.563 1.00 0.00 C ATOM 264 O ASN A 19 9.649 -10.452 -2.790 1.00 0.00 O ATOM 265 CB ASN A 19 8.081 -11.867 -4.792 1.00 0.00 C ATOM 266 CG ASN A 19 7.212 -12.831 -5.576 1.00 0.00 C ATOM 267 OD1 ASN A 19 6.596 -13.732 -5.007 1.00 0.00 O ATOM 268 ND2 ASN A 19 7.159 -12.645 -6.890 1.00 0.00 N ATOM 0 H ASN A 19 6.838 -10.242 -2.941 1.00 0.00 H new ATOM 0 HA ASN A 19 7.726 -13.064 -3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.841 -10.845 -5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.127 -12.035 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.591 -13.262 -7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.686 -11.885 -7.319 1.00 0.00 H new ATOM 275 N GLU A 20 9.684 -12.431 -1.711 1.00 0.00 N ATOM 276 CA GLU A 20 10.900 -12.137 -0.970 1.00 0.00 C ATOM 277 C GLU A 20 12.044 -12.989 -1.495 1.00 0.00 C ATOM 278 O GLU A 20 12.982 -13.320 -0.769 1.00 0.00 O ATOM 279 CB GLU A 20 10.696 -12.383 0.526 1.00 0.00 C ATOM 280 CG GLU A 20 10.235 -11.150 1.287 1.00 0.00 C ATOM 281 CD GLU A 20 9.765 -11.475 2.692 1.00 0.00 C ATOM 282 OE1 GLU A 20 8.721 -12.146 2.829 1.00 0.00 O ATOM 283 OE2 GLU A 20 10.442 -11.058 3.655 1.00 0.00 O ATOM 0 H GLU A 20 9.285 -13.349 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 20 11.147 -11.085 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.962 -13.177 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.631 -12.738 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.053 -10.432 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.424 -10.671 0.738 1.00 0.00 H new ATOM 290 N ASP A 21 11.950 -13.331 -2.771 1.00 0.00 N ATOM 291 CA ASP A 21 12.966 -14.141 -3.430 1.00 0.00 C ATOM 292 C ASP A 21 13.900 -13.260 -4.252 1.00 0.00 C ATOM 293 O ASP A 21 15.053 -13.617 -4.494 1.00 0.00 O ATOM 294 CB ASP A 21 12.310 -15.190 -4.330 1.00 0.00 C ATOM 295 CG ASP A 21 13.063 -16.505 -4.328 1.00 0.00 C ATOM 296 OD1 ASP A 21 13.054 -17.193 -3.286 1.00 0.00 O ATOM 297 OD2 ASP A 21 13.661 -16.849 -5.370 1.00 0.00 O ATOM 0 H ASP A 21 11.175 -13.058 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 21 13.549 -14.650 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.286 -15.360 -3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.255 -14.807 -5.349 1.00 0.00 H new ATOM 302 N VAL A 22 13.396 -12.103 -4.672 1.00 0.00 N ATOM 303 CA VAL A 22 14.193 -11.166 -5.460 1.00 0.00 C ATOM 304 C VAL A 22 14.775 -10.074 -4.569 1.00 0.00 C ATOM 305 O VAL A 22 14.375 -9.930 -3.413 1.00 0.00 O ATOM 306 CB VAL A 22 13.375 -10.510 -6.599 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.790 -11.075 -7.949 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.877 -10.687 -6.384 1.00 0.00 C ATOM 0 H VAL A 22 12.443 -11.792 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 22 14.998 -11.746 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 22 13.588 -9.441 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.204 -10.602 -8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.849 -10.878 -8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.615 -12.151 -7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.334 -10.214 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.637 -11.750 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.588 -10.224 -5.441 1.00 0.00 H new ATOM 318 N SER A 23 15.720 -9.303 -5.106 1.00 0.00 N ATOM 319 CA SER A 23 16.346 -8.226 -4.342 1.00 0.00 C ATOM 320 C SER A 23 15.286 -7.357 -3.668 1.00 0.00 C ATOM 321 O SER A 23 15.161 -7.366 -2.443 1.00 0.00 O ATOM 322 CB SER A 23 17.242 -7.374 -5.241 1.00 0.00 C ATOM 323 OG SER A 23 18.597 -7.773 -5.139 1.00 0.00 O ATOM 0 H SER A 23 16.067 -9.403 -6.060 1.00 0.00 H new ATOM 0 HA SER A 23 16.966 -8.676 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.911 -7.461 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.147 -6.324 -4.963 1.00 0.00 H new ATOM 0 HG SER A 23 19.148 -7.213 -5.725 1.00 0.00 H new ATOM 329 N PRO A 24 14.485 -6.611 -4.452 1.00 0.00 N ATOM 330 CA PRO A 24 13.427 -5.772 -3.904 1.00 0.00 C ATOM 331 C PRO A 24 12.198 -6.596 -3.572 1.00 0.00 C ATOM 332 O PRO A 24 11.299 -6.741 -4.399 1.00 0.00 O ATOM 333 CB PRO A 24 13.117 -4.808 -5.040 1.00 0.00 C ATOM 334 CG PRO A 24 13.402 -5.593 -6.275 1.00 0.00 C ATOM 335 CD PRO A 24 14.524 -6.542 -5.927 1.00 0.00 C ATOM 0 HA PRO A 24 13.722 -5.275 -2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.079 -4.477 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.738 -3.914 -4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.517 -6.140 -6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.690 -4.936 -7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.372 -7.523 -6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.485 -6.173 -6.285 1.00 0.00 H new ATOM 343 N ALA A 25 12.166 -7.139 -2.362 1.00 0.00 N ATOM 344 CA ALA A 25 11.037 -7.956 -1.926 1.00 0.00 C ATOM 345 C ALA A 25 9.743 -7.236 -2.226 1.00 0.00 C ATOM 346 O ALA A 25 9.293 -6.403 -1.450 1.00 0.00 O ATOM 347 CB ALA A 25 11.130 -8.280 -0.451 1.00 0.00 C ATOM 0 H ALA A 25 12.904 -7.030 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 25 11.062 -8.898 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.275 -8.889 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.051 -8.830 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.131 -7.355 0.125 1.00 0.00 H new ATOM 353 N GLU A 26 9.186 -7.540 -3.381 1.00 0.00 N ATOM 354 CA GLU A 26 7.967 -6.896 -3.849 1.00 0.00 C ATOM 355 C GLU A 26 6.804 -7.869 -3.965 1.00 0.00 C ATOM 356 O GLU A 26 6.981 -9.077 -3.850 1.00 0.00 O ATOM 357 CB GLU A 26 8.231 -6.223 -5.191 1.00 0.00 C ATOM 358 CG GLU A 26 8.914 -7.128 -6.203 1.00 0.00 C ATOM 359 CD GLU A 26 8.343 -6.976 -7.599 1.00 0.00 C ATOM 360 OE1 GLU A 26 8.773 -6.050 -8.318 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.467 -7.783 -7.973 1.00 0.00 O ATOM 0 H GLU A 26 9.561 -8.238 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 26 7.681 -6.149 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.285 -5.877 -5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.850 -5.340 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.980 -6.904 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.813 -8.165 -5.884 1.00 0.00 H new ATOM 368 N LEU A 27 5.612 -7.325 -4.196 1.00 0.00 N ATOM 369 CA LEU A 27 4.416 -8.124 -4.325 1.00 0.00 C ATOM 370 C LEU A 27 3.685 -7.736 -5.592 1.00 0.00 C ATOM 371 O LEU A 27 3.644 -6.558 -5.951 1.00 0.00 O ATOM 372 CB LEU A 27 3.504 -7.919 -3.111 1.00 0.00 C ATOM 373 CG LEU A 27 2.917 -6.513 -2.970 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.680 -6.358 -3.843 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.584 -6.222 -1.514 1.00 0.00 C ATOM 0 H LEU A 27 5.458 -6.322 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 27 4.695 -9.177 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.684 -8.634 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.069 -8.152 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 27 3.663 -5.792 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.278 -5.351 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.948 -6.525 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.927 -7.086 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.167 -5.218 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.855 -6.949 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.491 -6.290 -0.913 1.00 0.00 H new ATOM 387 N THR A 28 3.109 -8.711 -6.277 1.00 0.00 N ATOM 388 CA THR A 28 2.393 -8.414 -7.501 1.00 0.00 C ATOM 389 C THR A 28 0.957 -8.893 -7.435 1.00 0.00 C ATOM 390 O THR A 28 0.631 -9.881 -6.777 1.00 0.00 O ATOM 391 CB THR A 28 3.107 -9.002 -8.714 1.00 0.00 C ATOM 392 OG1 THR A 28 4.359 -8.375 -8.909 1.00 0.00 O ATOM 393 CG2 THR A 28 2.319 -8.872 -10.002 1.00 0.00 C ATOM 0 H THR A 28 3.123 -9.696 -6.011 1.00 0.00 H new ATOM 0 HA THR A 28 2.376 -7.330 -7.612 1.00 0.00 H new ATOM 0 HB THR A 28 3.226 -10.062 -8.491 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.567 -8.351 -9.866 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.887 -9.311 -10.822 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.367 -9.393 -9.900 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.135 -7.818 -10.211 1.00 0.00 H new ATOM 401 N TRP A 29 0.112 -8.151 -8.119 1.00 0.00 N ATOM 402 CA TRP A 29 -1.309 -8.424 -8.169 1.00 0.00 C ATOM 403 C TRP A 29 -1.704 -8.954 -9.542 1.00 0.00 C ATOM 404 O TRP A 29 -1.309 -8.399 -10.562 1.00 0.00 O ATOM 405 CB TRP A 29 -2.055 -7.130 -7.863 1.00 0.00 C ATOM 406 CG TRP A 29 -3.529 -7.291 -7.735 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.211 -7.744 -6.647 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.507 -6.978 -8.727 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.558 -7.733 -6.900 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.766 -7.269 -8.171 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.440 -6.481 -10.032 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -6.950 -7.079 -8.872 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.624 -6.294 -10.728 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.860 -6.592 -10.146 1.00 0.00 C ATOM 0 H TRP A 29 0.394 -7.334 -8.661 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.566 -9.186 -7.433 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.665 -6.709 -6.936 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.847 -6.408 -8.653 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.757 -8.065 -5.721 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.287 -8.023 -6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.489 -6.248 -10.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.907 -7.308 -8.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.591 -5.911 -11.737 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.764 -6.434 -10.716 1.00 0.00 H new ATOM 425 N ARG A 30 -2.478 -10.032 -9.567 1.00 0.00 N ATOM 426 CA ARG A 30 -2.911 -10.624 -10.830 1.00 0.00 C ATOM 427 C ARG A 30 -4.415 -10.872 -10.833 1.00 0.00 C ATOM 428 O ARG A 30 -4.931 -11.616 -10.000 1.00 0.00 O ATOM 429 CB ARG A 30 -2.167 -11.937 -11.082 1.00 0.00 C ATOM 430 CG ARG A 30 -2.358 -12.484 -12.488 1.00 0.00 C ATOM 431 CD ARG A 30 -2.440 -14.003 -12.488 1.00 0.00 C ATOM 432 NE ARG A 30 -3.821 -14.476 -12.541 1.00 0.00 N ATOM 433 CZ ARG A 30 -4.166 -15.762 -12.509 1.00 0.00 C ATOM 434 NH1 ARG A 30 -3.235 -16.704 -12.424 1.00 0.00 N ATOM 435 NH2 ARG A 30 -5.445 -16.106 -12.561 1.00 0.00 N ATOM 0 H ARG A 30 -2.818 -10.513 -8.734 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.678 -9.920 -11.629 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.103 -11.782 -10.903 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.507 -12.682 -10.362 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.269 -12.069 -12.920 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.530 -12.163 -13.120 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.889 -14.396 -13.343 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.958 -14.392 -11.591 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.565 -13.781 -12.606 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.249 -16.445 -12.383 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.505 -17.687 -12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.165 -15.386 -12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.710 -17.091 -12.537 1.00 0.00 H new ATOM 449 N SER A 31 -5.117 -10.245 -11.774 1.00 0.00 N ATOM 450 CA SER A 31 -6.563 -10.405 -11.873 1.00 0.00 C ATOM 451 C SER A 31 -6.944 -11.865 -12.081 1.00 0.00 C ATOM 452 O SER A 31 -6.208 -12.627 -12.709 1.00 0.00 O ATOM 453 CB SER A 31 -7.119 -9.559 -13.015 1.00 0.00 C ATOM 454 OG SER A 31 -7.514 -8.280 -12.551 1.00 0.00 O ATOM 0 H SER A 31 -4.710 -9.625 -12.474 1.00 0.00 H new ATOM 0 HA SER A 31 -6.997 -10.066 -10.932 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.364 -9.451 -13.794 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.972 -10.066 -13.467 1.00 0.00 H new ATOM 0 HG SER A 31 -6.961 -8.026 -11.783 1.00 0.00 H new ATOM 460 N THR A 32 -8.102 -12.247 -11.554 1.00 0.00 N ATOM 461 CA THR A 32 -8.587 -13.614 -11.687 1.00 0.00 C ATOM 462 C THR A 32 -8.795 -13.970 -13.153 1.00 0.00 C ATOM 463 O THR A 32 -8.693 -15.133 -13.543 1.00 0.00 O ATOM 464 CB THR A 32 -9.893 -13.797 -10.910 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.471 -12.542 -10.596 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.715 -14.557 -9.613 1.00 0.00 C ATOM 0 H THR A 32 -8.722 -11.628 -11.031 1.00 0.00 H new ATOM 0 HA THR A 32 -7.835 -14.284 -11.271 1.00 0.00 H new ATOM 0 HB THR A 32 -10.541 -14.377 -11.567 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.305 -12.681 -10.101 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.678 -14.652 -9.112 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.317 -15.549 -9.824 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.022 -14.018 -8.968 1.00 0.00 H new ATOM 505 N LYS A 36 -5.006 -8.563 -16.448 1.00 0.00 N ATOM 506 CA LYS A 36 -4.245 -7.483 -15.834 1.00 0.00 C ATOM 507 C LYS A 36 -3.463 -7.973 -14.621 1.00 0.00 C ATOM 508 O LYS A 36 -3.936 -8.816 -13.859 1.00 0.00 O ATOM 509 CB LYS A 36 -5.177 -6.346 -15.422 1.00 0.00 C ATOM 510 CG LYS A 36 -6.290 -6.778 -14.486 1.00 0.00 C ATOM 511 CD LYS A 36 -7.513 -7.253 -15.255 1.00 0.00 C ATOM 512 CE LYS A 36 -8.189 -6.105 -15.987 1.00 0.00 C ATOM 513 NZ LYS A 36 -9.556 -6.471 -16.452 1.00 0.00 N ATOM 0 HA LYS A 36 -3.533 -7.118 -16.574 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.591 -5.565 -14.939 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.617 -5.907 -16.317 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.932 -7.579 -13.839 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.566 -5.945 -13.839 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.219 -8.020 -15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.221 -7.714 -14.566 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.250 -5.239 -15.327 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.581 -5.812 -16.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.983 -5.662 -16.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.496 -7.281 -17.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.144 -6.726 -15.633 1.00 0.00 H new ATOM 527 N VAL A 37 -2.265 -7.430 -14.451 1.00 0.00 N ATOM 528 CA VAL A 37 -1.405 -7.793 -13.333 1.00 0.00 C ATOM 529 C VAL A 37 -0.599 -6.587 -12.861 1.00 0.00 C ATOM 530 O VAL A 37 0.151 -5.995 -13.637 1.00 0.00 O ATOM 531 CB VAL A 37 -0.436 -8.928 -13.717 1.00 0.00 C ATOM 532 CG1 VAL A 37 0.308 -9.436 -12.491 1.00 0.00 C ATOM 533 CG2 VAL A 37 -1.185 -10.060 -14.403 1.00 0.00 C ATOM 0 H VAL A 37 -1.865 -6.732 -15.078 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.051 -8.139 -12.526 1.00 0.00 H new ATOM 0 HB VAL A 37 0.298 -8.531 -14.418 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.987 -10.237 -12.783 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.879 -8.620 -12.048 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.408 -9.815 -11.762 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.485 -10.852 -14.667 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.943 -10.456 -13.728 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.665 -9.684 -15.307 1.00 0.00 H new ATOM 543 N HIS A 38 -0.755 -6.217 -11.592 1.00 0.00 N ATOM 544 CA HIS A 38 -0.032 -5.073 -11.051 1.00 0.00 C ATOM 545 C HIS A 38 1.041 -5.503 -10.054 1.00 0.00 C ATOM 546 O HIS A 38 0.744 -5.919 -8.937 1.00 0.00 O ATOM 547 CB HIS A 38 -1.006 -4.105 -10.378 1.00 0.00 C ATOM 548 CG HIS A 38 -0.372 -2.818 -9.953 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.820 -2.075 -8.880 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.684 -2.139 -10.462 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.068 -0.997 -8.749 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.851 -1.012 -9.696 1.00 0.00 N ATOM 0 H HIS A 38 -1.369 -6.688 -10.927 1.00 0.00 H new ATOM 0 HA HIS A 38 0.464 -4.573 -11.883 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.823 -3.888 -11.066 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.444 -4.591 -9.506 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.283 -2.430 -11.312 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.185 -0.233 -7.995 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.569 -0.301 -9.836 1.00 0.00 H new ATOM 561 N THR A 39 2.290 -5.358 -10.469 1.00 0.00 N ATOM 562 CA THR A 39 3.449 -5.691 -9.634 1.00 0.00 C ATOM 563 C THR A 39 3.899 -4.449 -8.870 1.00 0.00 C ATOM 564 O THR A 39 4.471 -3.529 -9.454 1.00 0.00 O ATOM 565 CB THR A 39 4.602 -6.181 -10.521 1.00 0.00 C ATOM 566 OG1 THR A 39 4.273 -7.408 -11.151 1.00 0.00 O ATOM 567 CG2 THR A 39 5.906 -6.374 -9.771 1.00 0.00 C ATOM 0 H THR A 39 2.536 -5.006 -11.394 1.00 0.00 H new ATOM 0 HA THR A 39 3.171 -6.476 -8.931 1.00 0.00 H new ATOM 0 HB THR A 39 4.747 -5.391 -11.258 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.022 -7.699 -11.711 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.675 -6.721 -10.461 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.216 -5.427 -9.330 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.766 -7.113 -8.982 1.00 0.00 H new ATOM 575 N VAL A 40 3.646 -4.422 -7.570 1.00 0.00 N ATOM 576 CA VAL A 40 4.039 -3.284 -6.750 1.00 0.00 C ATOM 577 C VAL A 40 5.370 -3.553 -6.066 1.00 0.00 C ATOM 578 O VAL A 40 5.455 -4.398 -5.175 1.00 0.00 O ATOM 579 CB VAL A 40 2.979 -2.962 -5.679 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.334 -1.673 -4.952 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.593 -2.871 -6.304 1.00 0.00 C ATOM 0 H VAL A 40 3.173 -5.170 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 40 4.133 -2.426 -7.416 1.00 0.00 H new ATOM 0 HB VAL A 40 2.966 -3.772 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.576 -1.459 -4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.305 -1.783 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.376 -0.852 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.859 -2.643 -5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.584 -2.082 -7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.342 -3.823 -6.773 1.00 0.00 H new ATOM 591 N VAL A 41 6.414 -2.840 -6.482 1.00 0.00 N ATOM 592 CA VAL A 41 7.726 -3.037 -5.887 1.00 0.00 C ATOM 593 C VAL A 41 7.786 -2.458 -4.486 1.00 0.00 C ATOM 594 O VAL A 41 7.924 -1.249 -4.302 1.00 0.00 O ATOM 595 CB VAL A 41 8.870 -2.442 -6.726 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.220 -2.854 -6.140 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.753 -2.882 -8.177 1.00 0.00 C ATOM 0 H VAL A 41 6.376 -2.133 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 41 7.868 -4.117 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 41 8.798 -1.355 -6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.023 -2.428 -6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.299 -2.488 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.302 -3.941 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.571 -2.451 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.803 -3.969 -8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.801 -2.541 -8.585 1.00 0.00 H new ATOM 607 N LEU A 42 7.702 -3.341 -3.501 1.00 0.00 N ATOM 608 CA LEU A 42 7.764 -2.946 -2.100 1.00 0.00 C ATOM 609 C LEU A 42 8.974 -2.052 -1.849 1.00 0.00 C ATOM 610 O LEU A 42 8.990 -1.256 -0.910 1.00 0.00 O ATOM 611 CB LEU A 42 7.860 -4.190 -1.224 1.00 0.00 C ATOM 612 CG LEU A 42 6.527 -4.775 -0.743 1.00 0.00 C ATOM 613 CD1 LEU A 42 5.704 -5.299 -1.914 1.00 0.00 C ATOM 614 CD2 LEU A 42 6.772 -5.884 0.273 1.00 0.00 C ATOM 0 H LEU A 42 7.590 -4.344 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 42 6.860 -2.389 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.394 -4.961 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.465 -3.950 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 42 5.960 -3.977 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.764 -5.708 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.497 -4.484 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.262 -6.081 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.817 -6.290 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.362 -6.676 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.313 -5.480 1.129 1.00 0.00 H new ATOM 626 N SER A 43 9.985 -2.190 -2.704 1.00 0.00 N ATOM 627 CA SER A 43 11.200 -1.395 -2.586 1.00 0.00 C ATOM 628 C SER A 43 10.864 0.075 -2.722 1.00 0.00 C ATOM 629 O SER A 43 11.204 0.892 -1.866 1.00 0.00 O ATOM 630 CB SER A 43 12.218 -1.805 -3.652 1.00 0.00 C ATOM 631 OG SER A 43 13.544 -1.669 -3.170 1.00 0.00 O ATOM 0 H SER A 43 9.985 -2.846 -3.485 1.00 0.00 H new ATOM 0 HA SER A 43 11.641 -1.573 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.040 -2.838 -3.951 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.086 -1.189 -4.541 1.00 0.00 H new ATOM 0 HG SER A 43 14.175 -1.939 -3.869 1.00 0.00 H new ATOM 637 N THR A 44 10.163 0.391 -3.793 1.00 0.00 N ATOM 638 CA THR A 44 9.732 1.747 -4.049 1.00 0.00 C ATOM 639 C THR A 44 8.653 2.138 -3.047 1.00 0.00 C ATOM 640 O THR A 44 8.393 3.321 -2.827 1.00 0.00 O ATOM 641 CB THR A 44 9.197 1.866 -5.473 1.00 0.00 C ATOM 642 OG1 THR A 44 8.561 0.665 -5.870 1.00 0.00 O ATOM 643 CG2 THR A 44 10.269 2.176 -6.494 1.00 0.00 C ATOM 0 H THR A 44 9.879 -0.282 -4.505 1.00 0.00 H new ATOM 0 HA THR A 44 10.582 2.421 -3.939 1.00 0.00 H new ATOM 0 HB THR A 44 8.493 2.698 -5.447 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.102 0.268 -5.100 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.819 2.247 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.746 3.123 -6.244 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.015 1.382 -6.491 1.00 0.00 H new ATOM 651 N ILE A 45 8.028 1.129 -2.436 1.00 0.00 N ATOM 652 CA ILE A 45 6.980 1.370 -1.450 1.00 0.00 C ATOM 653 C ILE A 45 7.580 1.686 -0.084 1.00 0.00 C ATOM 654 O ILE A 45 8.045 0.793 0.624 1.00 0.00 O ATOM 655 CB ILE A 45 6.035 0.159 -1.319 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.402 -0.172 -2.672 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.958 0.433 -0.278 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.445 0.890 -3.170 1.00 0.00 C ATOM 0 H ILE A 45 8.230 0.144 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 45 6.405 2.227 -1.801 1.00 0.00 H new ATOM 0 HB ILE A 45 6.618 -0.701 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.193 -0.311 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.870 -1.120 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.300 -0.432 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.426 0.623 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.376 1.305 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.035 0.587 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.633 1.013 -2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.977 1.835 -3.282 1.00 0.00 H new ATOM 670 N ASP A 46 7.563 2.963 0.282 1.00 0.00 N ATOM 671 CA ASP A 46 8.103 3.398 1.566 1.00 0.00 C ATOM 672 C ASP A 46 7.024 3.403 2.649 1.00 0.00 C ATOM 673 O ASP A 46 7.299 3.724 3.805 1.00 0.00 O ATOM 674 CB ASP A 46 8.716 4.793 1.436 1.00 0.00 C ATOM 675 CG ASP A 46 10.165 4.749 0.992 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.411 4.759 -0.232 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.054 4.705 1.869 1.00 0.00 O ATOM 0 H ASP A 46 7.181 3.715 -0.292 1.00 0.00 H new ATOM 0 HA ASP A 46 8.877 2.690 1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.137 5.376 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.648 5.307 2.395 1.00 0.00 H new ATOM 682 N LYS A 47 5.798 3.046 2.272 1.00 0.00 N ATOM 683 CA LYS A 47 4.689 3.013 3.218 1.00 0.00 C ATOM 684 C LYS A 47 3.704 1.902 2.868 1.00 0.00 C ATOM 685 O LYS A 47 3.466 1.610 1.696 1.00 0.00 O ATOM 686 CB LYS A 47 3.967 4.362 3.238 1.00 0.00 C ATOM 687 CG LYS A 47 4.221 5.167 4.501 1.00 0.00 C ATOM 688 CD LYS A 47 5.473 6.020 4.376 1.00 0.00 C ATOM 689 CE LYS A 47 5.134 7.461 4.032 1.00 0.00 C ATOM 690 NZ LYS A 47 6.024 8.426 4.735 1.00 0.00 N ATOM 0 H LYS A 47 5.550 2.776 1.320 1.00 0.00 H new ATOM 0 HA LYS A 47 5.098 2.812 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.283 4.947 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.895 4.193 3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.362 5.807 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.323 4.491 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.030 5.990 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.122 5.604 3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.220 7.607 2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.097 7.663 4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.759 9.397 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.924 8.305 5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.012 8.251 4.461 1.00 0.00 H new ATOM 704 N LEU A 48 3.128 1.295 3.898 1.00 0.00 N ATOM 705 CA LEU A 48 2.157 0.221 3.720 1.00 0.00 C ATOM 706 C LEU A 48 1.229 0.154 4.925 1.00 0.00 C ATOM 707 O LEU A 48 1.671 -0.119 6.040 1.00 0.00 O ATOM 708 CB LEU A 48 2.872 -1.122 3.525 1.00 0.00 C ATOM 709 CG LEU A 48 1.983 -2.369 3.618 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.836 -2.812 5.064 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.617 -2.111 2.998 1.00 0.00 C ATOM 0 H LEU A 48 3.318 1.530 4.872 1.00 0.00 H new ATOM 0 HA LEU A 48 1.565 0.429 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.357 -1.116 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.661 -1.204 4.272 1.00 0.00 H new ATOM 0 HG LEU A 48 2.464 -3.170 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.202 -3.698 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.818 -3.047 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.382 -2.010 5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.006 -3.010 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.127 -1.292 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.738 -1.846 1.948 1.00 0.00 H new ATOM 723 N GLN A 49 -0.054 0.419 4.702 1.00 0.00 N ATOM 724 CA GLN A 49 -1.030 0.407 5.786 1.00 0.00 C ATOM 725 C GLN A 49 -2.163 -0.580 5.524 1.00 0.00 C ATOM 726 O GLN A 49 -2.490 -0.885 4.377 1.00 0.00 O ATOM 727 CB GLN A 49 -1.612 1.809 5.986 1.00 0.00 C ATOM 728 CG GLN A 49 -0.596 2.927 5.811 1.00 0.00 C ATOM 729 CD GLN A 49 -0.441 3.352 4.364 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.403 3.776 3.723 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.775 3.241 3.842 1.00 0.00 N ATOM 0 H GLN A 49 -0.441 0.644 3.785 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.508 0.089 6.688 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.427 1.958 5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.042 1.875 6.986 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.901 3.787 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.370 2.599 6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.543 2.884 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.941 3.512 2.873 1.00 0.00 H new ATOM 740 N ALA A 50 -2.769 -1.055 6.608 1.00 0.00 N ATOM 741 CA ALA A 50 -3.884 -1.989 6.531 1.00 0.00 C ATOM 742 C ALA A 50 -4.970 -1.580 7.515 1.00 0.00 C ATOM 743 O ALA A 50 -4.681 -0.990 8.554 1.00 0.00 O ATOM 744 CB ALA A 50 -3.419 -3.407 6.813 1.00 0.00 C ATOM 0 H ALA A 50 -2.501 -0.804 7.560 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.292 -1.962 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.268 -4.088 6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.667 -3.696 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.988 -3.456 7.813 1.00 0.00 H new ATOM 750 N THR A 51 -6.218 -1.874 7.187 1.00 0.00 N ATOM 751 CA THR A 51 -7.322 -1.501 8.059 1.00 0.00 C ATOM 752 C THR A 51 -7.429 -2.432 9.267 1.00 0.00 C ATOM 753 O THR A 51 -7.511 -3.652 9.127 1.00 0.00 O ATOM 754 CB THR A 51 -8.633 -1.459 7.280 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.630 -2.403 6.227 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.904 -0.098 6.680 1.00 0.00 C ATOM 0 H THR A 51 -6.491 -2.363 6.335 1.00 0.00 H new ATOM 0 HA THR A 51 -7.118 -0.501 8.441 1.00 0.00 H new ATOM 0 HB THR A 51 -9.414 -1.694 8.003 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.462 -2.324 5.715 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.848 -0.122 6.136 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.962 0.645 7.475 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.098 0.165 5.995 1.00 0.00 H new ATOM 764 N PRO A 52 -7.417 -1.848 10.481 1.00 0.00 N ATOM 765 CA PRO A 52 -7.497 -2.574 11.739 1.00 0.00 C ATOM 766 C PRO A 52 -8.918 -2.642 12.278 1.00 0.00 C ATOM 767 O PRO A 52 -9.805 -1.938 11.796 1.00 0.00 O ATOM 768 CB PRO A 52 -6.627 -1.718 12.648 1.00 0.00 C ATOM 769 CG PRO A 52 -6.875 -0.318 12.186 1.00 0.00 C ATOM 770 CD PRO A 52 -7.312 -0.400 10.738 1.00 0.00 C ATOM 0 HA PRO A 52 -7.183 -3.614 11.650 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.900 -1.845 13.695 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.574 -1.986 12.558 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.644 0.158 12.794 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.973 0.286 12.283 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.265 0.104 10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.587 0.072 10.075 1.00 0.00 H new ATOM 778 N ALA A 53 -9.127 -3.490 13.281 1.00 0.00 N ATOM 779 CA ALA A 53 -10.441 -3.652 13.904 1.00 0.00 C ATOM 780 C ALA A 53 -11.096 -2.307 14.263 1.00 0.00 C ATOM 781 O ALA A 53 -12.240 -2.278 14.716 1.00 0.00 O ATOM 782 CB ALA A 53 -10.324 -4.524 15.145 1.00 0.00 C ATOM 0 H ALA A 53 -8.399 -4.080 13.683 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.087 -4.136 13.171 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.307 -4.639 15.603 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.936 -5.504 14.866 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.645 -4.054 15.857 1.00 0.00 H new ATOM 788 N SER A 54 -10.383 -1.198 14.052 1.00 0.00 N ATOM 789 CA SER A 54 -10.919 0.126 14.346 1.00 0.00 C ATOM 790 C SER A 54 -12.163 0.381 13.521 1.00 0.00 C ATOM 791 O SER A 54 -13.076 1.095 13.937 1.00 0.00 O ATOM 792 CB SER A 54 -9.880 1.177 13.990 1.00 0.00 C ATOM 793 OG SER A 54 -10.268 2.462 14.443 1.00 0.00 O ATOM 0 H SER A 54 -9.434 -1.194 13.679 1.00 0.00 H new ATOM 0 HA SER A 54 -11.167 0.178 15.406 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.921 0.908 14.433 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.737 1.198 12.910 1.00 0.00 H new ATOM 0 HG SER A 54 -9.579 3.116 14.201 1.00 0.00 H new ATOM 799 N SER A 55 -12.177 -0.214 12.349 1.00 0.00 N ATOM 800 CA SER A 55 -13.285 -0.080 11.431 1.00 0.00 C ATOM 801 C SER A 55 -13.650 -1.436 10.828 1.00 0.00 C ATOM 802 O SER A 55 -12.975 -2.435 11.075 1.00 0.00 O ATOM 803 CB SER A 55 -12.906 0.914 10.350 1.00 0.00 C ATOM 804 OG SER A 55 -14.023 1.688 9.949 1.00 0.00 O ATOM 0 H SER A 55 -11.420 -0.805 12.006 1.00 0.00 H new ATOM 0 HA SER A 55 -14.163 0.286 11.964 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.118 1.572 10.717 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.501 0.382 9.489 1.00 0.00 H new ATOM 0 HG SER A 55 -13.785 2.639 9.965 1.00 0.00 H new ATOM 810 N GLU A 56 -14.727 -1.470 10.050 1.00 0.00 N ATOM 811 CA GLU A 56 -15.184 -2.711 9.432 1.00 0.00 C ATOM 812 C GLU A 56 -14.648 -2.862 8.012 1.00 0.00 C ATOM 813 O GLU A 56 -15.270 -3.513 7.173 1.00 0.00 O ATOM 814 CB GLU A 56 -16.713 -2.762 9.417 1.00 0.00 C ATOM 815 CG GLU A 56 -17.342 -2.547 10.784 1.00 0.00 C ATOM 816 CD GLU A 56 -18.813 -2.914 10.813 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.434 -2.962 9.730 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.343 -3.154 11.918 1.00 0.00 O ATOM 0 H GLU A 56 -15.299 -0.654 9.832 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.798 -3.538 10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.087 -2.002 8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.032 -3.729 9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.808 -3.144 11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.226 -1.502 11.073 1.00 0.00 H new ATOM 825 N LYS A 57 -13.493 -2.262 7.747 1.00 0.00 N ATOM 826 CA LYS A 57 -12.886 -2.340 6.425 1.00 0.00 C ATOM 827 C LYS A 57 -11.828 -3.440 6.361 1.00 0.00 C ATOM 828 O LYS A 57 -11.427 -4.001 7.381 1.00 0.00 O ATOM 829 CB LYS A 57 -12.256 -1.001 6.004 1.00 0.00 C ATOM 830 CG LYS A 57 -12.294 0.084 7.067 1.00 0.00 C ATOM 831 CD LYS A 57 -13.711 0.578 7.315 1.00 0.00 C ATOM 832 CE LYS A 57 -13.782 2.097 7.299 1.00 0.00 C ATOM 833 NZ LYS A 57 -15.101 2.597 7.774 1.00 0.00 N ATOM 0 H LYS A 57 -12.961 -1.719 8.427 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.691 -2.579 5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.218 -1.177 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.771 -0.637 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.875 -0.302 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.666 0.919 6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.377 0.173 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.064 0.206 8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.991 2.504 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.600 2.458 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.158 3.624 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.862 2.125 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.205 2.392 8.788 1.00 0.00 H new ATOM 847 N MET A 58 -11.378 -3.726 5.144 1.00 0.00 N ATOM 848 CA MET A 58 -10.358 -4.740 4.900 1.00 0.00 C ATOM 849 C MET A 58 -9.571 -4.373 3.647 1.00 0.00 C ATOM 850 O MET A 58 -9.716 -5.003 2.599 1.00 0.00 O ATOM 851 CB MET A 58 -10.998 -6.121 4.739 1.00 0.00 C ATOM 852 CG MET A 58 -12.292 -6.106 3.945 1.00 0.00 C ATOM 853 SD MET A 58 -13.753 -6.125 4.999 1.00 0.00 S ATOM 854 CE MET A 58 -14.756 -7.342 4.153 1.00 0.00 C ATOM 0 H MET A 58 -11.710 -3.261 4.299 1.00 0.00 H new ATOM 0 HA MET A 58 -9.682 -4.778 5.754 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.288 -6.785 4.247 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.193 -6.538 5.727 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.316 -5.218 3.313 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.316 -6.970 3.281 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.651 -7.547 4.740 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.044 -6.959 3.174 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.185 -8.262 4.029 1.00 0.00 H new ATOM 864 N MET A 59 -8.765 -3.321 3.757 1.00 0.00 N ATOM 865 CA MET A 59 -7.983 -2.830 2.629 1.00 0.00 C ATOM 866 C MET A 59 -6.490 -2.774 2.941 1.00 0.00 C ATOM 867 O MET A 59 -6.061 -3.011 4.070 1.00 0.00 O ATOM 868 CB MET A 59 -8.467 -1.430 2.255 1.00 0.00 C ATOM 869 CG MET A 59 -8.480 -0.471 3.435 1.00 0.00 C ATOM 870 SD MET A 59 -10.115 0.209 3.771 1.00 0.00 S ATOM 871 CE MET A 59 -9.688 1.731 4.622 1.00 0.00 C ATOM 0 H MET A 59 -8.637 -2.791 4.619 1.00 0.00 H new ATOM 0 HA MET A 59 -8.124 -3.525 1.801 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.824 -1.026 1.473 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.472 -1.498 1.838 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.119 -0.991 4.323 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.786 0.346 3.240 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.272 1.812 5.539 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.626 1.725 4.868 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.906 2.582 3.977 1.00 0.00 H new ATOM 881 N LEU A 60 -5.714 -2.430 1.917 1.00 0.00 N ATOM 882 CA LEU A 60 -4.266 -2.300 2.033 1.00 0.00 C ATOM 883 C LEU A 60 -3.789 -1.166 1.127 1.00 0.00 C ATOM 884 O LEU A 60 -4.132 -1.124 -0.054 1.00 0.00 O ATOM 885 CB LEU A 60 -3.569 -3.616 1.662 1.00 0.00 C ATOM 886 CG LEU A 60 -2.967 -4.385 2.845 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.236 -5.637 2.369 1.00 0.00 C ATOM 888 CD2 LEU A 60 -2.028 -3.486 3.637 1.00 0.00 C ATOM 0 H LEU A 60 -6.073 -2.233 0.983 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.010 -2.069 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.288 -4.261 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.776 -3.401 0.946 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.782 -4.699 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.819 -6.163 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.935 -6.290 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.431 -5.353 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.608 -4.045 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.222 -3.142 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.581 -2.627 4.016 1.00 0.00 H new ATOM 900 N ARG A 61 -3.020 -0.236 1.683 1.00 0.00 N ATOM 901 CA ARG A 61 -2.531 0.905 0.912 1.00 0.00 C ATOM 902 C ARG A 61 -1.008 0.921 0.851 1.00 0.00 C ATOM 903 O ARG A 61 -0.334 0.635 1.839 1.00 0.00 O ATOM 904 CB ARG A 61 -3.042 2.210 1.528 1.00 0.00 C ATOM 905 CG ARG A 61 -2.511 3.462 0.845 1.00 0.00 C ATOM 906 CD ARG A 61 -3.639 4.355 0.354 1.00 0.00 C ATOM 907 NE ARG A 61 -3.160 5.678 -0.041 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.952 6.655 -0.475 1.00 0.00 C ATOM 909 NH1 ARG A 61 -5.262 6.463 -0.573 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.434 7.828 -0.813 1.00 0.00 N ATOM 0 H ARG A 61 -2.722 -0.248 2.659 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.909 0.811 -0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.131 2.219 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.764 2.237 2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.883 4.018 1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.879 3.178 0.004 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.133 3.881 -0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.386 4.460 1.141 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.159 5.863 0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.666 5.563 -0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.864 7.216 -0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.428 7.981 -0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.041 8.577 -1.146 1.00 0.00 H new ATOM 924 N LEU A 62 -0.473 1.259 -0.320 1.00 0.00 N ATOM 925 CA LEU A 62 0.972 1.314 -0.516 1.00 0.00 C ATOM 926 C LEU A 62 1.391 2.675 -1.063 1.00 0.00 C ATOM 927 O LEU A 62 0.986 3.065 -2.158 1.00 0.00 O ATOM 928 CB LEU A 62 1.427 0.213 -1.480 1.00 0.00 C ATOM 929 CG LEU A 62 1.223 -1.227 -0.993 1.00 0.00 C ATOM 930 CD1 LEU A 62 2.037 -1.492 0.264 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.252 -1.509 -0.745 1.00 0.00 C ATOM 0 H LEU A 62 -1.019 1.499 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 62 1.447 1.160 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.892 0.337 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.486 0.358 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 62 1.573 -1.901 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.877 -2.519 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.095 -1.340 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.723 -0.807 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.373 -2.536 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.631 -0.824 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.810 -1.369 -1.671 1.00 0.00 H new ATOM 943 N ILE A 63 2.209 3.392 -0.300 1.00 0.00 N ATOM 944 CA ILE A 63 2.685 4.706 -0.717 1.00 0.00 C ATOM 945 C ILE A 63 4.168 4.654 -1.077 1.00 0.00 C ATOM 946 O ILE A 63 5.028 4.583 -0.200 1.00 0.00 O ATOM 947 CB ILE A 63 2.445 5.764 0.383 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.985 6.211 0.366 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.364 6.966 0.216 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.230 5.805 1.603 1.00 0.00 C ATOM 0 H ILE A 63 2.556 3.086 0.609 1.00 0.00 H new ATOM 0 HA ILE A 63 2.117 4.996 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 63 2.673 5.305 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.944 7.295 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.492 5.788 -0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.166 7.688 1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.403 6.641 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.182 7.431 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.801 6.152 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.242 4.719 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.701 6.250 2.479 1.00 0.00 H new ATOM 962 N GLY A 64 4.457 4.687 -2.373 1.00 0.00 N ATOM 963 CA GLY A 64 5.834 4.640 -2.828 1.00 0.00 C ATOM 964 C GLY A 64 6.440 6.017 -3.002 1.00 0.00 C ATOM 965 O GLY A 64 5.726 6.996 -3.216 1.00 0.00 O ATOM 0 H GLY A 64 3.762 4.745 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.430 4.073 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.881 4.105 -3.776 1.00 0.00 H new ATOM 1311 N ARG A 86 0.913 6.460 -4.217 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.054 6.091 -3.188 1.00 0.00 C ATOM 1313 C ARG A 86 -1.308 5.489 -3.814 1.00 0.00 C ATOM 1314 O ARG A 86 -1.905 6.077 -4.715 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.435 7.311 -2.346 1.00 0.00 C ATOM 1316 CG ARG A 86 0.735 8.227 -2.022 1.00 0.00 C ATOM 1317 CD ARG A 86 0.342 9.296 -1.013 1.00 0.00 C ATOM 1318 NE ARG A 86 0.391 10.639 -1.588 1.00 0.00 N ATOM 1319 CZ ARG A 86 1.496 11.378 -1.657 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.650 10.906 -1.201 1.00 0.00 N ATOM 1321 NH2 ARG A 86 1.447 12.592 -2.188 1.00 0.00 N ATOM 0 HA ARG A 86 0.411 5.345 -2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.195 7.883 -2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.886 6.970 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.562 7.637 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.091 8.701 -2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.665 9.095 -0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.010 9.246 -0.153 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.473 11.034 -1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.694 9.972 -0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.493 11.478 -1.257 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.564 12.958 -2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.293 13.160 -2.242 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.708 4.318 -3.328 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.896 3.650 -3.844 1.00 0.00 C ATOM 1337 C HIS A 87 -3.620 2.886 -2.736 1.00 0.00 C ATOM 1338 O HIS A 87 -2.999 2.430 -1.776 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.523 2.721 -5.005 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.023 1.370 -4.594 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -2.418 0.205 -5.214 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.143 1.003 -3.633 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -1.804 -0.821 -4.654 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -1.025 -0.364 -3.692 1.00 0.00 N ATOM 0 H HIS A 87 -1.229 3.815 -2.581 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.581 4.409 -4.221 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.397 2.591 -5.643 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.758 3.208 -5.609 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -3.082 0.144 -5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.630 1.662 -2.948 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.920 -1.857 -4.935 1.00 0.00 H new ATOM 1353 N MET A 88 -4.937 2.765 -2.870 1.00 0.00 N ATOM 1354 CA MET A 88 -5.750 2.074 -1.873 1.00 0.00 C ATOM 1355 C MET A 88 -6.309 0.763 -2.422 1.00 0.00 C ATOM 1356 O MET A 88 -7.172 0.761 -3.300 1.00 0.00 O ATOM 1357 CB MET A 88 -6.893 2.986 -1.408 1.00 0.00 C ATOM 1358 CG MET A 88 -7.970 2.278 -0.594 1.00 0.00 C ATOM 1359 SD MET A 88 -7.333 1.542 0.924 1.00 0.00 S ATOM 1360 CE MET A 88 -8.267 2.437 2.168 1.00 0.00 C ATOM 0 H MET A 88 -5.465 3.137 -3.660 1.00 0.00 H new ATOM 0 HA MET A 88 -5.112 1.833 -1.022 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.475 3.796 -0.810 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.357 3.442 -2.283 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.756 2.990 -0.344 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.427 1.500 -1.205 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.747 2.380 3.124 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.364 3.481 1.869 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.258 1.994 2.267 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.820 -0.348 -1.883 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.273 -1.673 -2.294 1.00 0.00 C ATOM 1372 C PHE A 89 -7.393 -2.139 -1.368 1.00 0.00 C ATOM 1373 O PHE A 89 -7.271 -2.033 -0.152 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.104 -2.658 -2.252 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.876 -3.375 -3.548 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.928 -3.976 -4.218 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.607 -3.445 -4.097 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.717 -4.633 -5.415 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.390 -4.100 -5.292 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.447 -4.694 -5.951 1.00 0.00 C ATOM 0 H PHE A 89 -5.105 -0.357 -1.156 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.653 -1.627 -3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.196 -2.120 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.287 -3.392 -1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.923 -3.931 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.777 -2.982 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.545 -5.098 -5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.396 -4.148 -5.710 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.280 -5.207 -6.887 1.00 0.00 H new ATOM 1390 N SER A 90 -8.492 -2.632 -1.935 1.00 0.00 N ATOM 1391 CA SER A 90 -9.618 -3.070 -1.116 1.00 0.00 C ATOM 1392 C SER A 90 -10.120 -4.451 -1.514 1.00 0.00 C ATOM 1393 O SER A 90 -10.412 -4.709 -2.682 1.00 0.00 O ATOM 1394 CB SER A 90 -10.761 -2.064 -1.226 1.00 0.00 C ATOM 1395 OG SER A 90 -11.531 -2.031 -0.037 1.00 0.00 O ATOM 0 H SER A 90 -8.626 -2.737 -2.941 1.00 0.00 H new ATOM 0 HA SER A 90 -9.265 -3.130 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.357 -1.072 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.400 -2.327 -2.069 1.00 0.00 H new ATOM 0 HG SER A 90 -12.255 -1.378 -0.134 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.243 -5.328 -0.523 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.739 -6.679 -0.751 1.00 0.00 C ATOM 1403 C PHE A 91 -11.811 -7.025 0.275 1.00 0.00 C ATOM 1404 O PHE A 91 -12.024 -6.286 1.235 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.615 -7.728 -0.709 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.275 -7.236 -0.232 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.630 -6.177 -0.852 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.645 -7.866 0.827 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.387 -5.759 -0.422 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.406 -7.449 1.260 1.00 0.00 C ATOM 1411 CZ PHE A 91 -5.774 -6.397 0.635 1.00 0.00 C ATOM 0 H PHE A 91 -10.005 -5.126 0.448 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.169 -6.700 -1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.932 -8.546 -0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.493 -8.142 -1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.106 -5.674 -1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.131 -8.695 1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.895 -4.933 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.929 -7.948 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.801 -6.073 0.972 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.488 -8.148 0.064 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.542 -8.585 0.973 1.00 0.00 C ATOM 1423 C ASN A 92 -13.002 -9.562 2.013 1.00 0.00 C ATOM 1424 O ASN A 92 -13.738 -10.402 2.530 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.681 -9.239 0.188 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.392 -8.259 -0.725 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.457 -7.742 -0.389 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.804 -8.000 -1.887 1.00 0.00 N ATOM 0 H ASN A 92 -12.327 -8.772 -0.727 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.922 -7.706 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.283 -10.062 -0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.400 -9.668 0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.235 -7.349 -2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.921 -8.452 -2.124 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.712 -9.448 2.317 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.080 -10.324 3.296 1.00 0.00 C ATOM 1437 C ASN A 93 -10.344 -9.521 4.362 1.00 0.00 C ATOM 1438 O ASN A 93 -9.296 -8.934 4.096 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.111 -11.284 2.604 1.00 0.00 C ATOM 1440 CG ASN A 93 -10.734 -11.969 1.403 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -11.329 -13.040 1.524 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -10.600 -11.352 0.235 1.00 0.00 N ATOM 0 H ASN A 93 -11.086 -8.759 1.900 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.866 -10.900 3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.225 -10.735 2.286 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -9.780 -12.038 3.318 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.998 -11.765 -0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.099 -10.465 0.181 1.00 0.00 H new ATOM 1449 N ARG A 94 -10.900 -9.506 5.570 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.298 -8.781 6.683 1.00 0.00 C ATOM 1451 C ARG A 94 -9.160 -9.585 7.303 1.00 0.00 C ATOM 1452 O ARG A 94 -8.211 -9.019 7.845 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.354 -8.467 7.744 1.00 0.00 C ATOM 1454 CG ARG A 94 -10.813 -7.679 8.926 1.00 0.00 C ATOM 1455 CD ARG A 94 -10.360 -8.599 10.048 1.00 0.00 C ATOM 1456 NE ARG A 94 -10.662 -8.045 11.366 1.00 0.00 N ATOM 1457 CZ ARG A 94 -10.094 -8.466 12.495 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -9.197 -9.443 12.470 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -10.426 -7.908 13.651 1.00 0.00 N ATOM 0 H ARG A 94 -11.768 -9.989 5.803 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.890 -7.846 6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.164 -7.903 7.282 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.782 -9.402 8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.976 -7.061 8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.583 -7.003 9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.848 -9.568 9.942 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.287 -8.771 9.964 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.348 -7.292 11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.939 -9.876 11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.765 -9.761 13.338 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.116 -7.157 13.675 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.992 -8.230 14.516 1.00 0.00 H new ATOM 1473 N THR A 95 -9.262 -10.907 7.218 1.00 0.00 N ATOM 1474 CA THR A 95 -8.241 -11.789 7.769 1.00 0.00 C ATOM 1475 C THR A 95 -6.993 -11.775 6.891 1.00 0.00 C ATOM 1476 O THR A 95 -5.873 -11.646 7.385 1.00 0.00 O ATOM 1477 CB THR A 95 -8.796 -13.215 7.910 1.00 0.00 C ATOM 1478 OG1 THR A 95 -8.300 -13.829 9.086 1.00 0.00 O ATOM 1479 CG2 THR A 95 -8.472 -14.131 6.745 1.00 0.00 C ATOM 0 H THR A 95 -10.042 -11.391 6.773 1.00 0.00 H new ATOM 0 HA THR A 95 -7.961 -11.429 8.759 1.00 0.00 H new ATOM 0 HB THR A 95 -9.878 -13.087 7.944 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.665 -14.735 9.161 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.901 -15.116 6.927 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.891 -13.716 5.828 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.391 -14.220 6.642 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.201 -11.907 5.587 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.100 -11.908 4.633 1.00 0.00 C ATOM 1489 C VAL A 96 -5.337 -10.590 4.685 1.00 0.00 C ATOM 1490 O VAL A 96 -4.136 -10.567 4.955 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.598 -12.139 3.193 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.423 -12.295 2.239 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.510 -13.354 3.127 1.00 0.00 C ATOM 0 H VAL A 96 -8.124 -12.015 5.166 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.438 -12.727 4.914 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.174 -11.266 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.795 -12.457 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.814 -11.391 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.817 -13.148 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.850 -13.499 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.963 -14.238 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.372 -13.198 3.776 1.00 0.00 H new ATOM 1503 N MET A 97 -6.043 -9.494 4.415 1.00 0.00 N ATOM 1504 CA MET A 97 -5.437 -8.162 4.420 1.00 0.00 C ATOM 1505 C MET A 97 -4.485 -7.957 5.596 1.00 0.00 C ATOM 1506 O MET A 97 -3.328 -7.580 5.410 1.00 0.00 O ATOM 1507 CB MET A 97 -6.525 -7.091 4.460 1.00 0.00 C ATOM 1508 CG MET A 97 -7.594 -7.339 5.512 1.00 0.00 C ATOM 1509 SD MET A 97 -7.377 -6.321 6.983 1.00 0.00 S ATOM 1510 CE MET A 97 -7.104 -4.719 6.237 1.00 0.00 C ATOM 0 H MET A 97 -7.038 -9.501 4.189 1.00 0.00 H new ATOM 0 HA MET A 97 -4.855 -8.076 3.502 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.061 -6.123 4.648 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.000 -7.032 3.480 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.575 -7.141 5.080 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.578 -8.391 5.798 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.502 -3.941 6.889 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.035 -4.561 6.095 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.608 -4.677 5.272 1.00 0.00 H new ATOM 1520 N ASP A 98 -4.979 -8.184 6.803 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.170 -8.001 8.001 1.00 0.00 C ATOM 1522 C ASP A 98 -3.020 -9.001 8.057 1.00 0.00 C ATOM 1523 O ASP A 98 -1.985 -8.735 8.668 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.037 -8.132 9.254 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.268 -7.824 10.524 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.272 -8.525 10.800 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.662 -6.881 11.243 1.00 0.00 O ATOM 0 H ASP A 98 -5.934 -8.495 6.980 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.744 -6.998 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.889 -7.456 9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.437 -9.144 9.311 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.204 -10.151 7.420 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.177 -11.184 7.406 1.00 0.00 C ATOM 1534 C ASN A 99 -1.122 -10.894 6.343 1.00 0.00 C ATOM 1535 O ASN A 99 0.058 -11.189 6.531 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.806 -12.555 7.156 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.223 -13.243 8.441 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -2.718 -12.929 9.519 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.151 -14.187 8.333 1.00 0.00 N ATOM 0 H ASN A 99 -4.053 -10.391 6.908 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.690 -11.187 8.381 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.676 -12.440 6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.095 -13.186 6.623 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.472 -14.684 9.164 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.543 -14.415 7.419 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.554 -10.323 5.224 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.643 -10.006 4.131 1.00 0.00 C ATOM 1548 C ILE A 100 -0.002 -8.627 4.303 1.00 0.00 C ATOM 1549 O ILE A 100 1.051 -8.354 3.727 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.356 -10.070 2.764 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.330 -10.029 1.626 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.360 -8.934 2.628 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -0.923 -9.684 0.276 1.00 0.00 C ATOM 0 H ILE A 100 -2.527 -10.071 5.050 1.00 0.00 H new ATOM 0 HA ILE A 100 0.143 -10.761 4.159 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.901 -11.012 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.440 -9.298 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.162 -10.999 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.852 -8.997 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.106 -9.011 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.842 -7.979 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.134 -9.675 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.673 -10.428 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.390 -8.700 0.324 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.631 -7.757 5.092 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.098 -6.422 5.313 1.00 0.00 C ATOM 1567 C LYS A 101 1.037 -6.462 6.326 1.00 0.00 C ATOM 1568 O LYS A 101 2.014 -5.722 6.220 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.208 -5.501 5.807 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.722 -5.866 7.182 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.086 -5.014 8.263 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.108 -4.634 9.314 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.577 -4.797 10.695 1.00 0.00 N ATOM 0 H LYS A 101 -1.503 -7.954 5.583 1.00 0.00 H new ATOM 0 HA LYS A 101 0.294 -6.039 4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.838 -4.476 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.036 -5.529 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.805 -5.742 7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.517 -6.918 7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.265 -5.560 8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.660 -4.114 7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.415 -3.599 9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.998 -5.251 9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.309 -4.526 11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.308 -5.790 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.742 -4.189 10.820 1.00 0.00 H new ATOM 1587 N MET A 102 0.889 -7.337 7.308 1.00 0.00 N ATOM 1588 CA MET A 102 1.888 -7.496 8.359 1.00 0.00 C ATOM 1589 C MET A 102 3.263 -7.788 7.767 1.00 0.00 C ATOM 1590 O MET A 102 4.263 -7.195 8.173 1.00 0.00 O ATOM 1591 CB MET A 102 1.482 -8.622 9.312 1.00 0.00 C ATOM 1592 CG MET A 102 0.547 -8.171 10.423 1.00 0.00 C ATOM 1593 SD MET A 102 -0.435 -9.525 11.097 1.00 0.00 S ATOM 1594 CE MET A 102 0.834 -10.486 11.919 1.00 0.00 C ATOM 0 H MET A 102 0.081 -7.953 7.401 1.00 0.00 H new ATOM 0 HA MET A 102 1.944 -6.560 8.915 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.998 -9.414 8.740 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.380 -9.052 9.756 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.132 -7.718 11.223 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.120 -7.399 10.040 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.382 -11.361 12.386 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.577 -10.807 11.189 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.316 -9.875 12.682 1.00 0.00 H new ATOM 1604 N THR A 103 3.306 -8.703 6.804 1.00 0.00 N ATOM 1605 CA THR A 103 4.559 -9.071 6.154 1.00 0.00 C ATOM 1606 C THR A 103 5.242 -7.843 5.559 1.00 0.00 C ATOM 1607 O THR A 103 6.463 -7.701 5.636 1.00 0.00 O ATOM 1608 CB THR A 103 4.305 -10.108 5.059 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.668 -11.255 5.594 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.569 -10.567 4.364 1.00 0.00 C ATOM 0 H THR A 103 2.488 -9.203 6.456 1.00 0.00 H new ATOM 0 HA THR A 103 5.218 -9.503 6.907 1.00 0.00 H new ATOM 0 HB THR A 103 3.670 -9.607 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.512 -11.906 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.317 -11.302 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.059 -9.712 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.242 -11.018 5.093 1.00 0.00 H new ATOM 1618 N LEU A 104 4.446 -6.959 4.968 1.00 0.00 N ATOM 1619 CA LEU A 104 4.971 -5.742 4.363 1.00 0.00 C ATOM 1620 C LEU A 104 5.344 -4.721 5.432 1.00 0.00 C ATOM 1621 O LEU A 104 6.451 -4.183 5.430 1.00 0.00 O ATOM 1622 CB LEU A 104 3.943 -5.140 3.404 1.00 0.00 C ATOM 1623 CG LEU A 104 3.821 -5.852 2.056 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.678 -6.855 2.085 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.619 -4.843 0.935 1.00 0.00 C ATOM 0 H LEU A 104 3.434 -7.063 4.895 1.00 0.00 H new ATOM 0 HA LEU A 104 5.870 -6.002 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.968 -5.146 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.203 -4.097 3.225 1.00 0.00 H new ATOM 0 HG LEU A 104 4.748 -6.393 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.606 -7.352 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.865 -7.597 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.743 -6.336 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.534 -5.368 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.708 -4.274 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.470 -4.163 0.900 1.00 0.00 H new ATOM 1637 N GLN A 105 4.413 -4.460 6.345 1.00 0.00 N ATOM 1638 CA GLN A 105 4.639 -3.502 7.425 1.00 0.00 C ATOM 1639 C GLN A 105 5.993 -3.734 8.091 1.00 0.00 C ATOM 1640 O GLN A 105 6.753 -2.793 8.320 1.00 0.00 O ATOM 1641 CB GLN A 105 3.525 -3.607 8.468 1.00 0.00 C ATOM 1642 CG GLN A 105 2.222 -2.956 8.035 1.00 0.00 C ATOM 1643 CD GLN A 105 1.342 -2.577 9.211 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.773 -2.619 10.363 1.00 0.00 O ATOM 1645 NE2 GLN A 105 0.101 -2.202 8.924 1.00 0.00 N ATOM 0 H GLN A 105 3.492 -4.899 6.359 1.00 0.00 H new ATOM 0 HA GLN A 105 4.634 -2.502 6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.341 -4.659 8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.862 -3.144 9.395 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.443 -2.064 7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.677 -3.639 7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.214 -2.182 7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.537 -1.934 9.673 1.00 0.00 H new ATOM 1654 N GLN A 106 6.286 -4.992 8.398 1.00 0.00 N ATOM 1655 CA GLN A 106 7.547 -5.347 9.036 1.00 0.00 C ATOM 1656 C GLN A 106 8.723 -5.077 8.102 1.00 0.00 C ATOM 1657 O GLN A 106 9.751 -4.544 8.520 1.00 0.00 O ATOM 1658 CB GLN A 106 7.537 -6.819 9.450 1.00 0.00 C ATOM 1659 CG GLN A 106 6.397 -7.179 10.389 1.00 0.00 C ATOM 1660 CD GLN A 106 6.194 -8.677 10.512 1.00 0.00 C ATOM 1661 OE1 GLN A 106 6.291 -9.411 9.529 1.00 0.00 O ATOM 1662 NE2 GLN A 106 5.910 -9.138 11.724 1.00 0.00 N ATOM 0 H GLN A 106 5.668 -5.783 8.215 1.00 0.00 H new ATOM 0 HA GLN A 106 7.663 -4.728 9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.470 -7.439 8.556 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.484 -7.058 9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.598 -6.761 11.375 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.476 -6.720 10.030 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.839 -8.493 12.511 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.763 -10.137 11.868 1.00 0.00 H new ATOM 1671 N ILE A 107 8.567 -5.454 6.836 1.00 0.00 N ATOM 1672 CA ILE A 107 9.611 -5.262 5.844 1.00 0.00 C ATOM 1673 C ILE A 107 10.084 -3.812 5.796 1.00 0.00 C ATOM 1674 O ILE A 107 11.275 -3.541 5.927 1.00 0.00 O ATOM 1675 CB ILE A 107 9.129 -5.723 4.448 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.834 -7.018 4.073 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.359 -4.660 3.380 1.00 0.00 C ATOM 1678 CD1 ILE A 107 9.353 -7.619 2.770 1.00 0.00 C ATOM 0 H ILE A 107 7.722 -5.896 6.475 1.00 0.00 H new ATOM 0 HA ILE A 107 10.461 -5.876 6.140 1.00 0.00 H new ATOM 0 HB ILE A 107 8.053 -5.891 4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.905 -6.830 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.690 -7.744 4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.005 -5.029 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.813 -3.754 3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.424 -4.436 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.901 -8.539 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 107 8.288 -7.840 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.523 -6.911 1.958 1.00 0.00 H new ATOM 1690 N ILE A 108 9.154 -2.882 5.606 1.00 0.00 N ATOM 1691 CA ILE A 108 9.507 -1.469 5.542 1.00 0.00 C ATOM 1692 C ILE A 108 10.315 -1.062 6.759 1.00 0.00 C ATOM 1693 O ILE A 108 11.419 -0.535 6.646 1.00 0.00 O ATOM 1694 CB ILE A 108 8.266 -0.565 5.444 1.00 0.00 C ATOM 1695 CG1 ILE A 108 7.251 -1.150 4.464 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.675 0.836 5.019 1.00 0.00 C ATOM 1697 CD1 ILE A 108 5.963 -0.367 4.394 1.00 0.00 C ATOM 0 H ILE A 108 8.159 -3.079 5.495 1.00 0.00 H new ATOM 0 HA ILE A 108 10.103 -1.338 4.638 1.00 0.00 H new ATOM 0 HB ILE A 108 7.795 -0.509 6.426 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.698 -1.189 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.028 -2.177 4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.790 1.469 4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.364 1.252 5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.164 0.793 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.289 -0.839 3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.494 -0.349 5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.174 0.653 4.074 1.00 0.00 H new ATOM 1709 N SER A 109 9.755 -1.328 7.920 1.00 0.00 N ATOM 1710 CA SER A 109 10.408 -1.008 9.181 1.00 0.00 C ATOM 1711 C SER A 109 11.827 -1.569 9.212 1.00 0.00 C ATOM 1712 O SER A 109 12.704 -1.034 9.889 1.00 0.00 O ATOM 1713 CB SER A 109 9.596 -1.573 10.342 1.00 0.00 C ATOM 1714 OG SER A 109 9.623 -0.701 11.459 1.00 0.00 O ATOM 0 H SER A 109 8.841 -1.769 8.021 1.00 0.00 H new ATOM 0 HA SER A 109 10.466 0.076 9.277 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.565 -1.731 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.994 -2.547 10.628 1.00 0.00 H new ATOM 0 HG SER A 109 9.093 -1.087 12.188 1.00 0.00 H new ATOM 1720 N ARG A 110 12.042 -2.647 8.466 1.00 0.00 N ATOM 1721 CA ARG A 110 13.351 -3.279 8.396 1.00 0.00 C ATOM 1722 C ARG A 110 14.185 -2.643 7.286 1.00 0.00 C ATOM 1723 O ARG A 110 15.316 -2.212 7.514 1.00 0.00 O ATOM 1724 CB ARG A 110 13.191 -4.789 8.164 1.00 0.00 C ATOM 1725 CG ARG A 110 14.273 -5.409 7.291 1.00 0.00 C ATOM 1726 CD ARG A 110 15.656 -5.204 7.887 1.00 0.00 C ATOM 1727 NE ARG A 110 16.683 -5.078 6.856 1.00 0.00 N ATOM 1728 CZ ARG A 110 17.988 -5.191 7.091 1.00 0.00 C ATOM 1729 NH1 ARG A 110 18.430 -5.432 8.320 1.00 0.00 N ATOM 1730 NH2 ARG A 110 18.855 -5.063 6.096 1.00 0.00 N ATOM 0 H ARG A 110 11.324 -3.101 7.901 1.00 0.00 H new ATOM 0 HA ARG A 110 13.872 -3.128 9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.187 -5.294 9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.220 -4.973 7.704 1.00 0.00 H new ATOM 0 HG2 ARG A 110 14.081 -6.476 7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.236 -4.967 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 110 15.654 -4.308 8.508 1.00 0.00 H new ATOM 0 HD3 ARG A 110 15.898 -6.043 8.539 1.00 0.00 H new ATOM 0 HE ARG A 110 16.382 -4.892 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 110 17.768 -5.531 9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 110 19.431 -5.518 8.494 1.00 0.00 H new ATOM 0 HH21 ARG A 110 18.522 -4.878 5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 110 19.855 -5.150 6.277 1.00 0.00 H new ATOM 1744 N TYR A 111 13.617 -2.588 6.085 1.00 0.00 N ATOM 1745 CA TYR A 111 14.308 -2.005 4.940 1.00 0.00 C ATOM 1746 C TYR A 111 14.639 -0.535 5.185 1.00 0.00 C ATOM 1747 O TYR A 111 15.744 -0.082 4.891 1.00 0.00 O ATOM 1748 CB TYR A 111 13.455 -2.145 3.674 1.00 0.00 C ATOM 1749 CG TYR A 111 13.579 -3.489 2.979 1.00 0.00 C ATOM 1750 CD1 TYR A 111 14.289 -4.541 3.553 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.981 -3.704 1.743 1.00 0.00 C ATOM 1752 CE1 TYR A 111 14.397 -5.762 2.914 1.00 0.00 C ATOM 1753 CE2 TYR A 111 13.085 -4.923 1.100 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.794 -5.948 1.689 1.00 0.00 C ATOM 1755 OH TYR A 111 13.899 -7.162 1.051 1.00 0.00 O ATOM 0 H TYR A 111 12.682 -2.939 5.880 1.00 0.00 H new ATOM 0 HA TYR A 111 15.243 -2.548 4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.410 -1.980 3.935 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.736 -1.360 2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.763 -4.400 4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.425 -2.904 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.952 -6.567 3.373 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.613 -5.072 0.140 1.00 0.00 H new ATOM 0 HH TYR A 111 13.979 -7.876 1.717 1.00 0.00 H new ATOM 1765 N LYS A 112 13.677 0.205 5.727 1.00 0.00 N ATOM 1766 CA LYS A 112 13.867 1.625 6.015 1.00 0.00 C ATOM 1767 C LYS A 112 15.157 1.856 6.796 1.00 0.00 C ATOM 1768 O LYS A 112 15.789 2.906 6.680 1.00 0.00 O ATOM 1769 CB LYS A 112 12.679 2.167 6.813 1.00 0.00 C ATOM 1770 CG LYS A 112 11.409 2.347 5.994 1.00 0.00 C ATOM 1771 CD LYS A 112 11.683 3.059 4.679 1.00 0.00 C ATOM 1772 CE LYS A 112 11.954 2.068 3.558 1.00 0.00 C ATOM 1773 NZ LYS A 112 12.687 2.697 2.425 1.00 0.00 N ATOM 0 H LYS A 112 12.756 -0.155 5.977 1.00 0.00 H new ATOM 0 HA LYS A 112 13.936 2.155 5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.471 1.489 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.956 3.127 7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.964 1.372 5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.681 2.917 6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.829 3.683 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.539 3.723 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.535 1.231 3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.009 1.661 3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.912 1.974 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.094 3.435 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.569 3.123 2.776 1.00 0.00 H new ATOM 1969 N ASP B 70 -11.836 3.934 4.973 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.524 5.075 5.821 1.00 0.00 C ATOM 1971 C ASP B 70 -11.096 4.644 7.225 1.00 0.00 C ATOM 1972 O ASP B 70 -11.638 5.121 8.222 1.00 0.00 O ATOM 1973 CB ASP B 70 -12.745 5.988 5.906 1.00 0.00 C ATOM 1974 CG ASP B 70 -12.372 7.456 5.952 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -12.159 8.049 4.873 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -12.293 8.014 7.067 1.00 0.00 O ATOM 0 HA ASP B 70 -10.685 5.609 5.375 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -13.390 5.807 5.046 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.322 5.735 6.796 1.00 0.00 H new ATOM 1981 N ALA B 71 -10.113 3.752 7.299 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.610 3.276 8.586 1.00 0.00 C ATOM 1983 C ALA B 71 -8.207 2.696 8.452 1.00 0.00 C ATOM 1984 O ALA B 71 -7.870 1.720 9.118 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.554 2.241 9.189 1.00 0.00 C ATOM 0 H ALA B 71 -9.649 3.345 6.487 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.560 4.134 9.256 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.158 1.902 10.146 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.536 2.689 9.340 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -10.643 1.392 8.512 1.00 0.00 H new ATOM 1991 N THR B 72 -7.395 3.299 7.585 1.00 0.00 N ATOM 1992 CA THR B 72 -6.025 2.836 7.368 1.00 0.00 C ATOM 1993 C THR B 72 -5.011 3.961 7.559 1.00 0.00 C ATOM 1994 O THR B 72 -3.807 3.711 7.622 1.00 0.00 O ATOM 1995 CB THR B 72 -5.868 2.255 5.966 1.00 0.00 C ATOM 1996 OG1 THR B 72 -6.873 2.742 5.107 1.00 0.00 O ATOM 1997 CG2 THR B 72 -5.926 0.746 5.933 1.00 0.00 C ATOM 0 H THR B 72 -7.661 4.107 7.023 1.00 0.00 H new ATOM 0 HA THR B 72 -5.830 2.062 8.110 1.00 0.00 H new ATOM 0 HB THR B 72 -4.879 2.570 5.633 1.00 0.00 H new ATOM 0 HG1 THR B 72 -6.673 3.670 4.863 1.00 0.00 H new ATOM 0 HG21 THR B 72 -5.808 0.400 4.906 1.00 0.00 H new ATOM 0 HG22 THR B 72 -5.124 0.338 6.548 1.00 0.00 H new ATOM 0 HG23 THR B 72 -6.888 0.410 6.321 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.489 5.200 7.634 1.00 0.00 N ATOM 2006 CA TRP B 73 -4.599 6.343 7.796 1.00 0.00 C ATOM 2007 C TRP B 73 -4.390 6.696 9.269 1.00 0.00 C ATOM 2008 O TRP B 73 -4.193 7.863 9.606 1.00 0.00 O ATOM 2009 CB TRP B 73 -5.146 7.569 7.053 1.00 0.00 C ATOM 2010 CG TRP B 73 -6.016 7.246 5.871 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -7.106 7.946 5.452 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -5.870 6.154 4.957 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -7.648 7.360 4.334 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -6.906 6.256 4.011 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -4.966 5.102 4.847 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -7.054 5.343 2.971 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.114 4.196 3.818 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -6.148 4.322 2.893 1.00 0.00 C ATOM 0 H TRP B 73 -6.480 5.436 7.586 1.00 0.00 H new ATOM 0 HA TRP B 73 -3.637 6.058 7.370 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -5.718 8.177 7.754 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -4.307 8.177 6.715 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -7.490 8.835 5.930 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -8.469 7.693 3.828 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.160 4.996 5.558 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -7.855 5.438 2.252 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.417 3.376 3.728 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -6.236 3.597 2.097 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.429 5.695 10.147 1.00 0.00 N ATOM 2030 CA ASP B 74 -4.236 5.948 11.573 1.00 0.00 C ATOM 2031 C ASP B 74 -3.743 4.712 12.330 1.00 0.00 C ATOM 2032 O ASP B 74 -3.771 4.683 13.560 1.00 0.00 O ATOM 2033 CB ASP B 74 -5.536 6.456 12.199 1.00 0.00 C ATOM 2034 CG ASP B 74 -5.289 7.392 13.366 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -4.899 8.553 13.124 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -5.486 6.963 14.523 1.00 0.00 O ATOM 0 H ASP B 74 -4.590 4.718 9.902 1.00 0.00 H new ATOM 0 HA ASP B 74 -3.461 6.710 11.658 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -6.124 6.973 11.440 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -6.129 5.607 12.537 1.00 0.00 H new ATOM 2041 N LEU B 75 -3.273 3.706 11.602 1.00 0.00 N ATOM 2042 CA LEU B 75 -2.754 2.492 12.228 1.00 0.00 C ATOM 2043 C LEU B 75 -1.386 2.141 11.666 1.00 0.00 C ATOM 2044 O LEU B 75 -0.785 1.137 12.049 1.00 0.00 O ATOM 2045 CB LEU B 75 -3.711 1.308 12.048 1.00 0.00 C ATOM 2046 CG LEU B 75 -4.281 1.115 10.641 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -5.169 2.281 10.265 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -3.172 0.958 9.614 1.00 0.00 C ATOM 0 H LEU B 75 -3.240 3.705 10.583 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.661 2.693 13.295 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -3.187 0.396 12.335 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.543 1.430 12.742 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.875 0.201 10.647 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -5.566 2.127 9.261 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.994 2.354 10.974 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.588 3.203 10.288 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -3.609 0.823 8.625 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.546 1.850 9.615 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.565 0.088 9.864 1.00 0.00 H new