USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 521 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 32 CYS SG : rot -56:sc= -2.24! USER MOD Set 1.2: A 36 ASN :FLIP amide:sc= 0.529 F(o=-4.7,f=-3.3) USER MOD Set 1.3: A 43 CYS SG : rot 27:sc= -1.56 USER MOD Set 2.1: A 19 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.1) USER MOD Set 2.2: A 20 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0243) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 44:sc= 0.461 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00515 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.404 K(o=-0.4,f=-3.1!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 15 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.052) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 145:sc= -2.41 (180deg=-3.34) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 37 ASN : amide:sc= -0.0844 K(o=-0.084,f=-1.5!) USER MOD Single : A 38 ASN :FLIP amide:sc= -1.43 F(o=-2.2,f=-1.4) USER MOD Single : A 39 ASN : amide:sc= -0.621 K(o=-0.62,f=-1.4) USER MOD Single : A 44 CYS SG : rot 41:sc= 1.11 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.7) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 37:sc= 0.874 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.9!) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00601 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.000 15.823 -19.684 1.00 0.00 N ATOM 2 CA GLY A 1 6.783 14.749 -20.272 1.00 0.00 C ATOM 3 C GLY A 1 7.117 13.680 -19.230 1.00 0.00 C ATOM 4 O GLY A 1 7.805 13.958 -18.249 1.00 0.00 O ATOM 0 H1 GLY A 1 5.786 16.535 -20.411 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.111 15.438 -19.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.541 16.266 -18.914 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.229 14.299 -21.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.704 15.153 -20.692 1.00 0.00 H new ATOM 8 N SER A 2 6.614 12.480 -19.478 1.00 0.00 N ATOM 9 CA SER A 2 6.851 11.367 -18.574 1.00 0.00 C ATOM 10 C SER A 2 6.892 10.055 -19.358 1.00 0.00 C ATOM 11 O SER A 2 5.852 9.454 -19.625 1.00 0.00 O ATOM 12 CB SER A 2 5.776 11.303 -17.487 1.00 0.00 C ATOM 13 OG SER A 2 4.462 11.262 -18.038 1.00 0.00 O ATOM 0 H SER A 2 6.043 12.254 -20.292 1.00 0.00 H new ATOM 0 HA SER A 2 7.814 11.521 -18.087 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.938 10.420 -16.869 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.868 12.171 -16.834 1.00 0.00 H new ATOM 0 HG SER A 2 4.441 10.631 -18.788 1.00 0.00 H new ATOM 19 N SER A 3 8.104 9.648 -19.706 1.00 0.00 N ATOM 20 CA SER A 3 8.294 8.417 -20.455 1.00 0.00 C ATOM 21 C SER A 3 9.759 7.981 -20.381 1.00 0.00 C ATOM 22 O SER A 3 10.662 8.781 -20.622 1.00 0.00 O ATOM 23 CB SER A 3 7.864 8.587 -21.913 1.00 0.00 C ATOM 24 OG SER A 3 7.208 7.426 -22.415 1.00 0.00 O ATOM 0 H SER A 3 8.964 10.149 -19.483 1.00 0.00 H new ATOM 0 HA SER A 3 7.668 7.645 -20.008 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.197 9.445 -21.997 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.739 8.803 -22.526 1.00 0.00 H new ATOM 0 HG SER A 3 6.948 7.575 -23.348 1.00 0.00 H new ATOM 30 N GLY A 4 9.950 6.713 -20.048 1.00 0.00 N ATOM 31 CA GLY A 4 11.289 6.161 -19.940 1.00 0.00 C ATOM 32 C GLY A 4 11.265 4.636 -20.058 1.00 0.00 C ATOM 33 O GLY A 4 11.680 4.082 -21.075 1.00 0.00 O ATOM 0 H GLY A 4 9.199 6.052 -19.849 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.923 6.580 -20.722 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.729 6.448 -18.985 1.00 0.00 H new ATOM 37 N SER A 5 10.775 4.000 -19.004 1.00 0.00 N ATOM 38 CA SER A 5 10.691 2.550 -18.977 1.00 0.00 C ATOM 39 C SER A 5 9.678 2.104 -17.921 1.00 0.00 C ATOM 40 O SER A 5 8.692 1.442 -18.242 1.00 0.00 O ATOM 41 CB SER A 5 12.059 1.924 -18.698 1.00 0.00 C ATOM 42 OG SER A 5 12.701 2.522 -17.575 1.00 0.00 O ATOM 0 H SER A 5 10.432 4.463 -18.162 1.00 0.00 H new ATOM 0 HA SER A 5 10.358 2.209 -19.957 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.939 0.855 -18.520 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.693 2.032 -19.578 1.00 0.00 H new ATOM 0 HG SER A 5 13.570 2.094 -17.429 1.00 0.00 H new ATOM 48 N SER A 6 9.956 2.484 -16.682 1.00 0.00 N ATOM 49 CA SER A 6 9.081 2.132 -15.577 1.00 0.00 C ATOM 50 C SER A 6 9.115 0.620 -15.344 1.00 0.00 C ATOM 51 O SER A 6 8.546 -0.145 -16.121 1.00 0.00 O ATOM 52 CB SER A 6 7.647 2.596 -15.840 1.00 0.00 C ATOM 53 OG SER A 6 7.133 3.377 -14.765 1.00 0.00 O ATOM 0 H SER A 6 10.775 3.032 -16.419 1.00 0.00 H new ATOM 0 HA SER A 6 9.440 2.640 -14.682 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.618 3.181 -16.759 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.007 1.727 -15.995 1.00 0.00 H new ATOM 0 HG SER A 6 6.216 3.655 -14.972 1.00 0.00 H new ATOM 59 N GLY A 7 9.789 0.234 -14.270 1.00 0.00 N ATOM 60 CA GLY A 7 9.905 -1.173 -13.925 1.00 0.00 C ATOM 61 C GLY A 7 10.436 -1.346 -12.501 1.00 0.00 C ATOM 62 O GLY A 7 11.144 -0.480 -11.989 1.00 0.00 O ATOM 0 H GLY A 7 10.260 0.871 -13.628 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.931 -1.655 -14.015 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.573 -1.670 -14.629 1.00 0.00 H new ATOM 66 N GLN A 8 10.073 -2.470 -11.901 1.00 0.00 N ATOM 67 CA GLN A 8 10.504 -2.768 -10.545 1.00 0.00 C ATOM 68 C GLN A 8 9.927 -1.742 -9.568 1.00 0.00 C ATOM 69 O GLN A 8 9.575 -0.631 -9.963 1.00 0.00 O ATOM 70 CB GLN A 8 12.030 -2.815 -10.453 1.00 0.00 C ATOM 71 CG GLN A 8 12.547 -4.243 -10.639 1.00 0.00 C ATOM 72 CD GLN A 8 13.683 -4.286 -11.663 1.00 0.00 C ATOM 73 OE1 GLN A 8 14.029 -3.296 -12.287 1.00 0.00 O ATOM 74 NE2 GLN A 8 14.241 -5.485 -11.802 1.00 0.00 N ATOM 0 H GLN A 8 9.485 -3.186 -12.329 1.00 0.00 H new ATOM 0 HA GLN A 8 10.126 -3.753 -10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.464 -2.165 -11.213 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.351 -2.431 -9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.899 -4.634 -9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.732 -4.889 -10.967 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.903 -6.272 -11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.007 -5.618 -12.462 1.00 0.00 H new ATOM 83 N ILE A 9 9.847 -2.150 -8.310 1.00 0.00 N ATOM 84 CA ILE A 9 9.319 -1.281 -7.273 1.00 0.00 C ATOM 85 C ILE A 9 9.905 0.122 -7.442 1.00 0.00 C ATOM 86 O ILE A 9 11.075 0.272 -7.791 1.00 0.00 O ATOM 87 CB ILE A 9 9.563 -1.887 -5.889 1.00 0.00 C ATOM 88 CG1 ILE A 9 8.479 -2.908 -5.538 1.00 0.00 C ATOM 89 CG2 ILE A 9 9.687 -0.794 -4.826 1.00 0.00 C ATOM 90 CD1 ILE A 9 7.147 -2.214 -5.246 1.00 0.00 C ATOM 0 H ILE A 9 10.139 -3.072 -7.986 1.00 0.00 H new ATOM 0 HA ILE A 9 8.237 -1.189 -7.368 1.00 0.00 H new ATOM 0 HB ILE A 9 10.513 -2.422 -5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.355 -3.610 -6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.789 -3.489 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.860 -1.252 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.523 -0.139 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.767 -0.211 -4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.393 -2.962 -4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.269 -1.531 -4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.828 -1.654 -6.125 1.00 0.00 H new ATOM 102 N ASP A 10 9.066 1.115 -7.186 1.00 0.00 N ATOM 103 CA ASP A 10 9.487 2.500 -7.306 1.00 0.00 C ATOM 104 C ASP A 10 9.492 3.148 -5.920 1.00 0.00 C ATOM 105 O ASP A 10 8.443 3.537 -5.408 1.00 0.00 O ATOM 106 CB ASP A 10 8.526 3.293 -8.194 1.00 0.00 C ATOM 107 CG ASP A 10 8.941 4.741 -8.464 1.00 0.00 C ATOM 108 OD1 ASP A 10 9.434 5.377 -7.509 1.00 0.00 O ATOM 109 OD2 ASP A 10 8.755 5.178 -9.620 1.00 0.00 O ATOM 0 H ASP A 10 8.096 0.988 -6.896 1.00 0.00 H new ATOM 0 HA ASP A 10 10.482 2.513 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.426 2.776 -9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.541 3.294 -7.727 1.00 0.00 H new ATOM 114 N PHE A 11 10.685 3.245 -5.351 1.00 0.00 N ATOM 115 CA PHE A 11 10.841 3.839 -4.035 1.00 0.00 C ATOM 116 C PHE A 11 10.297 5.269 -4.010 1.00 0.00 C ATOM 117 O PHE A 11 9.446 5.599 -3.186 1.00 0.00 O ATOM 118 CB PHE A 11 12.341 3.872 -3.733 1.00 0.00 C ATOM 119 CG PHE A 11 12.876 2.586 -3.099 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.175 1.427 -3.216 1.00 0.00 C ATOM 121 CD2 PHE A 11 14.052 2.604 -2.417 1.00 0.00 C ATOM 122 CE1 PHE A 11 12.672 0.234 -2.627 1.00 0.00 C ATOM 123 CE2 PHE A 11 14.549 1.411 -1.827 1.00 0.00 C ATOM 124 CZ PHE A 11 13.848 0.251 -1.945 1.00 0.00 C ATOM 0 H PHE A 11 11.553 2.922 -5.778 1.00 0.00 H new ATOM 0 HA PHE A 11 10.290 3.256 -3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 11 12.884 4.062 -4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.549 4.708 -3.065 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.240 1.413 -3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.608 3.525 -2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.116 -0.687 -2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.483 1.425 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 11 14.226 -0.656 -1.497 1.00 0.00 H new ATOM 134 N GLN A 12 10.810 6.079 -4.925 1.00 0.00 N ATOM 135 CA GLN A 12 10.387 7.465 -5.019 1.00 0.00 C ATOM 136 C GLN A 12 8.863 7.563 -4.919 1.00 0.00 C ATOM 137 O GLN A 12 8.336 8.478 -4.289 1.00 0.00 O ATOM 138 CB GLN A 12 10.894 8.107 -6.312 1.00 0.00 C ATOM 139 CG GLN A 12 10.889 9.634 -6.205 1.00 0.00 C ATOM 140 CD GLN A 12 11.709 10.265 -7.332 1.00 0.00 C ATOM 141 OE1 GLN A 12 11.810 9.742 -8.429 1.00 0.00 O ATOM 142 NE2 GLN A 12 12.288 11.415 -7.001 1.00 0.00 N ATOM 0 H GLN A 12 11.515 5.801 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 12 10.823 8.015 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.904 7.757 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.267 7.795 -7.147 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.864 10.002 -6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.297 9.936 -5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.163 11.798 -6.064 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.858 11.914 -7.684 1.00 0.00 H new ATOM 151 N VAL A 13 8.198 6.606 -5.550 1.00 0.00 N ATOM 152 CA VAL A 13 6.746 6.573 -5.541 1.00 0.00 C ATOM 153 C VAL A 13 6.261 6.043 -4.190 1.00 0.00 C ATOM 154 O VAL A 13 5.253 6.510 -3.661 1.00 0.00 O ATOM 155 CB VAL A 13 6.233 5.750 -6.724 1.00 0.00 C ATOM 156 CG1 VAL A 13 4.716 5.571 -6.652 1.00 0.00 C ATOM 157 CG2 VAL A 13 6.648 6.384 -8.054 1.00 0.00 C ATOM 0 H VAL A 13 8.639 5.848 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 13 6.341 7.578 -5.662 1.00 0.00 H new ATOM 0 HB VAL A 13 6.689 4.762 -6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.378 4.982 -7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.454 5.055 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.233 6.548 -6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.271 5.779 -8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.234 7.390 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.735 6.435 -8.109 1.00 0.00 H new ATOM 167 N LEU A 14 7.002 5.075 -3.669 1.00 0.00 N ATOM 168 CA LEU A 14 6.660 4.477 -2.390 1.00 0.00 C ATOM 169 C LEU A 14 6.793 5.529 -1.288 1.00 0.00 C ATOM 170 O LEU A 14 5.846 5.776 -0.543 1.00 0.00 O ATOM 171 CB LEU A 14 7.498 3.221 -2.145 1.00 0.00 C ATOM 172 CG LEU A 14 7.999 3.017 -0.714 1.00 0.00 C ATOM 173 CD1 LEU A 14 6.905 2.414 0.169 1.00 0.00 C ATOM 174 CD2 LEU A 14 9.279 2.179 -0.695 1.00 0.00 C ATOM 0 H LEU A 14 7.838 4.690 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 14 5.622 4.145 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.905 2.352 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.361 3.249 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 14 8.248 3.993 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.287 2.279 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.046 3.084 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.602 1.448 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.614 2.049 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.081 1.203 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.055 2.687 -1.267 1.00 0.00 H new ATOM 186 N HIS A 15 7.976 6.121 -1.219 1.00 0.00 N ATOM 187 CA HIS A 15 8.245 7.142 -0.220 1.00 0.00 C ATOM 188 C HIS A 15 7.104 8.161 -0.207 1.00 0.00 C ATOM 189 O HIS A 15 6.555 8.471 0.849 1.00 0.00 O ATOM 190 CB HIS A 15 9.613 7.786 -0.456 1.00 0.00 C ATOM 191 CG HIS A 15 10.257 8.336 0.794 1.00 0.00 C ATOM 192 ND1 HIS A 15 11.127 9.412 0.778 1.00 0.00 N ATOM 193 CD2 HIS A 15 10.147 7.948 2.097 1.00 0.00 C ATOM 194 CE1 HIS A 15 11.518 9.652 2.021 1.00 0.00 C ATOM 195 NE2 HIS A 15 10.911 8.743 2.837 1.00 0.00 N ATOM 0 H HIS A 15 8.759 5.913 -1.838 1.00 0.00 H new ATOM 0 HA HIS A 15 8.289 6.686 0.769 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.279 7.047 -0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.503 8.593 -1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.541 7.133 2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.198 10.431 2.333 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.025 8.684 3.849 1.00 0.00 H new ATOM 203 N ASP A 16 6.780 8.654 -1.393 1.00 0.00 N ATOM 204 CA ASP A 16 5.714 9.632 -1.532 1.00 0.00 C ATOM 205 C ASP A 16 4.432 9.073 -0.911 1.00 0.00 C ATOM 206 O ASP A 16 3.559 9.833 -0.493 1.00 0.00 O ATOM 207 CB ASP A 16 5.433 9.934 -3.005 1.00 0.00 C ATOM 208 CG ASP A 16 4.941 11.355 -3.291 1.00 0.00 C ATOM 209 OD1 ASP A 16 3.707 11.549 -3.243 1.00 0.00 O ATOM 210 OD2 ASP A 16 5.811 12.215 -3.551 1.00 0.00 O ATOM 0 H ASP A 16 7.237 8.394 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 16 6.027 10.547 -1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.345 9.759 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.688 9.227 -3.370 1.00 0.00 H new ATOM 215 N LEU A 17 4.360 7.751 -0.869 1.00 0.00 N ATOM 216 CA LEU A 17 3.199 7.083 -0.306 1.00 0.00 C ATOM 217 C LEU A 17 3.407 6.890 1.197 1.00 0.00 C ATOM 218 O LEU A 17 2.534 7.227 1.996 1.00 0.00 O ATOM 219 CB LEU A 17 2.912 5.782 -1.059 1.00 0.00 C ATOM 220 CG LEU A 17 2.553 5.929 -2.539 1.00 0.00 C ATOM 221 CD1 LEU A 17 2.859 4.642 -3.308 1.00 0.00 C ATOM 222 CD2 LEU A 17 1.097 6.366 -2.709 1.00 0.00 C ATOM 0 H LEU A 17 5.087 7.125 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 17 2.308 7.699 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.789 5.139 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.093 5.268 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 17 3.177 6.715 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.595 4.773 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.922 4.414 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.279 3.820 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.868 6.463 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.439 5.621 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.945 7.326 -2.216 1.00 0.00 H new ATOM 234 N ARG A 18 4.567 6.348 1.538 1.00 0.00 N ATOM 235 CA ARG A 18 4.900 6.107 2.931 1.00 0.00 C ATOM 236 C ARG A 18 4.552 7.331 3.780 1.00 0.00 C ATOM 237 O ARG A 18 3.925 7.205 4.831 1.00 0.00 O ATOM 238 CB ARG A 18 6.388 5.787 3.094 1.00 0.00 C ATOM 239 CG ARG A 18 6.754 4.494 2.364 1.00 0.00 C ATOM 240 CD ARG A 18 7.736 3.658 3.188 1.00 0.00 C ATOM 241 NE ARG A 18 9.102 3.790 2.633 1.00 0.00 N ATOM 242 CZ ARG A 18 10.209 3.357 3.252 1.00 0.00 C ATOM 243 NH1 ARG A 18 10.118 2.762 4.449 1.00 0.00 N ATOM 244 NH2 ARG A 18 11.407 3.520 2.674 1.00 0.00 N ATOM 0 H ARG A 18 5.288 6.069 0.873 1.00 0.00 H new ATOM 0 HA ARG A 18 4.317 5.250 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.986 6.611 2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.629 5.692 4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.852 3.914 2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.196 4.731 1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.723 3.987 4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.431 2.612 3.181 1.00 0.00 H new ATOM 0 HE ARG A 18 9.207 4.238 1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.206 2.639 4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.961 2.432 4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.476 3.974 1.763 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.250 3.191 3.145 1.00 0.00 H new ATOM 258 N GLN A 19 4.975 8.489 3.293 1.00 0.00 N ATOM 259 CA GLN A 19 4.716 9.735 3.994 1.00 0.00 C ATOM 260 C GLN A 19 3.217 9.894 4.256 1.00 0.00 C ATOM 261 O GLN A 19 2.811 10.248 5.362 1.00 0.00 O ATOM 262 CB GLN A 19 5.265 10.929 3.211 1.00 0.00 C ATOM 263 CG GLN A 19 4.241 11.435 2.193 1.00 0.00 C ATOM 264 CD GLN A 19 4.793 12.626 1.407 1.00 0.00 C ATOM 265 OE1 GLN A 19 5.915 12.622 0.929 1.00 0.00 O ATOM 266 NE2 GLN A 19 3.943 13.644 1.300 1.00 0.00 N ATOM 0 H GLN A 19 5.495 8.590 2.421 1.00 0.00 H new ATOM 0 HA GLN A 19 5.232 9.704 4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.525 11.732 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.182 10.641 2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.978 10.631 1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.325 11.727 2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.017 13.582 1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.217 14.486 0.794 1.00 0.00 H new ATOM 275 N LYS A 20 2.435 9.625 3.221 1.00 0.00 N ATOM 276 CA LYS A 20 0.990 9.735 3.326 1.00 0.00 C ATOM 277 C LYS A 20 0.459 8.600 4.204 1.00 0.00 C ATOM 278 O LYS A 20 -0.555 8.757 4.881 1.00 0.00 O ATOM 279 CB LYS A 20 0.354 9.785 1.935 1.00 0.00 C ATOM 280 CG LYS A 20 0.523 11.169 1.304 1.00 0.00 C ATOM 281 CD LYS A 20 0.170 11.140 -0.184 1.00 0.00 C ATOM 282 CE LYS A 20 0.270 12.537 -0.798 1.00 0.00 C ATOM 283 NZ LYS A 20 1.686 12.946 -0.930 1.00 0.00 N ATOM 0 H LYS A 20 2.775 9.331 2.305 1.00 0.00 H new ATOM 0 HA LYS A 20 0.714 10.671 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.812 9.031 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.706 9.541 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.115 11.888 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.551 11.507 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.842 10.460 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.841 10.753 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.210 12.545 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.265 13.254 -0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.823 13.873 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.295 12.242 -0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.936 13.011 -1.937 1.00 0.00 H new ATOM 297 N PHE A 21 1.170 7.482 4.164 1.00 0.00 N ATOM 298 CA PHE A 21 0.783 6.321 4.948 1.00 0.00 C ATOM 299 C PHE A 21 1.926 5.868 5.857 1.00 0.00 C ATOM 300 O PHE A 21 2.568 4.852 5.595 1.00 0.00 O ATOM 301 CB PHE A 21 0.460 5.200 3.957 1.00 0.00 C ATOM 302 CG PHE A 21 -0.686 5.528 2.998 1.00 0.00 C ATOM 303 CD1 PHE A 21 -1.971 5.268 3.359 1.00 0.00 C ATOM 304 CD2 PHE A 21 -0.419 6.080 1.784 1.00 0.00 C ATOM 305 CE1 PHE A 21 -3.034 5.572 2.469 1.00 0.00 C ATOM 306 CE2 PHE A 21 -1.483 6.384 0.893 1.00 0.00 C ATOM 307 CZ PHE A 21 -2.768 6.124 1.255 1.00 0.00 C ATOM 0 H PHE A 21 2.011 7.356 3.601 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.072 6.566 5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.354 4.975 3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.207 4.298 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.183 4.830 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.601 6.287 1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.054 5.365 2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.272 6.821 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.577 6.356 0.578 1.00 0.00 H new ATOM 317 N PRO A 22 2.153 6.665 6.936 1.00 0.00 N ATOM 318 CA PRO A 22 3.208 6.356 7.886 1.00 0.00 C ATOM 319 C PRO A 22 2.807 5.188 8.790 1.00 0.00 C ATOM 320 O PRO A 22 3.654 4.393 9.195 1.00 0.00 O ATOM 321 CB PRO A 22 3.437 7.648 8.653 1.00 0.00 C ATOM 322 CG PRO A 22 2.194 8.493 8.427 1.00 0.00 C ATOM 323 CD PRO A 22 1.413 7.876 7.279 1.00 0.00 C ATOM 0 HA PRO A 22 4.127 6.027 7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.587 7.451 9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.329 8.162 8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.584 8.524 9.330 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.469 9.521 8.192 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.390 7.644 7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.352 8.557 6.430 1.00 0.00 H new ATOM 331 N GLU A 23 1.516 5.121 9.079 1.00 0.00 N ATOM 332 CA GLU A 23 0.993 4.063 9.927 1.00 0.00 C ATOM 333 C GLU A 23 0.658 2.828 9.089 1.00 0.00 C ATOM 334 O GLU A 23 -0.385 2.206 9.283 1.00 0.00 O ATOM 335 CB GLU A 23 -0.230 4.543 10.710 1.00 0.00 C ATOM 336 CG GLU A 23 -1.361 4.953 9.764 1.00 0.00 C ATOM 337 CD GLU A 23 -2.704 4.985 10.496 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.839 5.841 11.396 1.00 0.00 O ATOM 339 OE2 GLU A 23 -3.565 4.152 10.139 1.00 0.00 O ATOM 0 H GLU A 23 0.816 5.782 8.741 1.00 0.00 H new ATOM 0 HA GLU A 23 1.762 3.789 10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.576 3.750 11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.046 5.388 11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.149 5.936 9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.414 4.253 8.930 1.00 0.00 H new ATOM 346 N VAL A 24 1.563 2.509 8.175 1.00 0.00 N ATOM 347 CA VAL A 24 1.376 1.359 7.306 1.00 0.00 C ATOM 348 C VAL A 24 2.720 0.657 7.101 1.00 0.00 C ATOM 349 O VAL A 24 3.758 1.310 7.008 1.00 0.00 O ATOM 350 CB VAL A 24 0.723 1.796 5.993 1.00 0.00 C ATOM 351 CG1 VAL A 24 0.681 0.640 4.991 1.00 0.00 C ATOM 352 CG2 VAL A 24 -0.677 2.361 6.238 1.00 0.00 C ATOM 0 H VAL A 24 2.428 3.027 8.017 1.00 0.00 H new ATOM 0 HA VAL A 24 0.699 0.638 7.766 1.00 0.00 H new ATOM 0 HB VAL A 24 1.333 2.590 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.212 0.977 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.696 0.303 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.105 -0.184 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.118 2.664 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.302 1.597 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.610 3.225 6.899 1.00 0.00 H new ATOM 362 N PRO A 25 2.655 -0.700 7.035 1.00 0.00 N ATOM 363 CA PRO A 25 3.854 -1.498 6.843 1.00 0.00 C ATOM 364 C PRO A 25 4.341 -1.417 5.395 1.00 0.00 C ATOM 365 O PRO A 25 3.714 -1.972 4.494 1.00 0.00 O ATOM 366 CB PRO A 25 3.460 -2.906 7.259 1.00 0.00 C ATOM 367 CG PRO A 25 1.941 -2.941 7.225 1.00 0.00 C ATOM 368 CD PRO A 25 1.443 -1.507 7.142 1.00 0.00 C ATOM 0 HA PRO A 25 4.696 -1.142 7.437 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.883 -3.647 6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.834 -3.138 8.256 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.592 -3.517 6.368 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.550 -3.430 8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.793 -1.363 6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.864 -1.237 8.025 1.00 0.00 H new ATOM 376 N GLU A 26 5.454 -0.720 5.217 1.00 0.00 N ATOM 377 CA GLU A 26 6.032 -0.559 3.894 1.00 0.00 C ATOM 378 C GLU A 26 5.894 -1.855 3.093 1.00 0.00 C ATOM 379 O GLU A 26 5.354 -1.851 1.987 1.00 0.00 O ATOM 380 CB GLU A 26 7.496 -0.124 3.985 1.00 0.00 C ATOM 381 CG GLU A 26 8.210 -0.320 2.646 1.00 0.00 C ATOM 382 CD GLU A 26 9.218 -1.469 2.726 1.00 0.00 C ATOM 383 OE1 GLU A 26 9.950 -1.512 3.738 1.00 0.00 O ATOM 384 OE2 GLU A 26 9.232 -2.278 1.773 1.00 0.00 O ATOM 0 H GLU A 26 5.970 -0.261 5.967 1.00 0.00 H new ATOM 0 HA GLU A 26 5.485 0.227 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.550 0.924 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.003 -0.700 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.477 -0.528 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.723 0.600 2.365 1.00 0.00 H new ATOM 391 N VAL A 27 6.391 -2.933 3.681 1.00 0.00 N ATOM 392 CA VAL A 27 6.329 -4.233 3.036 1.00 0.00 C ATOM 393 C VAL A 27 4.975 -4.390 2.343 1.00 0.00 C ATOM 394 O VAL A 27 4.907 -4.833 1.197 1.00 0.00 O ATOM 395 CB VAL A 27 6.610 -5.338 4.057 1.00 0.00 C ATOM 396 CG1 VAL A 27 6.065 -4.961 5.436 1.00 0.00 C ATOM 397 CG2 VAL A 27 6.037 -6.676 3.588 1.00 0.00 C ATOM 0 H VAL A 27 6.839 -2.933 4.598 1.00 0.00 H new ATOM 0 HA VAL A 27 7.098 -4.315 2.268 1.00 0.00 H new ATOM 0 HB VAL A 27 7.691 -5.448 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.278 -5.763 6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.541 -4.041 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.987 -4.810 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.251 -7.444 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.958 -6.585 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.493 -6.954 2.638 1.00 0.00 H new ATOM 407 N VAL A 28 3.929 -4.019 3.066 1.00 0.00 N ATOM 408 CA VAL A 28 2.580 -4.113 2.535 1.00 0.00 C ATOM 409 C VAL A 28 2.401 -3.079 1.421 1.00 0.00 C ATOM 410 O VAL A 28 1.856 -3.388 0.363 1.00 0.00 O ATOM 411 CB VAL A 28 1.560 -3.957 3.665 1.00 0.00 C ATOM 412 CG1 VAL A 28 0.150 -3.755 3.107 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.607 -5.155 4.615 1.00 0.00 C ATOM 0 H VAL A 28 3.989 -3.652 4.016 1.00 0.00 H new ATOM 0 HA VAL A 28 2.411 -5.096 2.096 1.00 0.00 H new ATOM 0 HB VAL A 28 1.825 -3.067 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.555 -3.647 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.128 -2.857 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.129 -4.618 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.873 -5.019 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.380 -6.067 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.603 -5.234 5.052 1.00 0.00 H new ATOM 423 N VAL A 29 2.871 -1.871 1.698 1.00 0.00 N ATOM 424 CA VAL A 29 2.771 -0.790 0.733 1.00 0.00 C ATOM 425 C VAL A 29 3.294 -1.270 -0.621 1.00 0.00 C ATOM 426 O VAL A 29 2.628 -1.107 -1.642 1.00 0.00 O ATOM 427 CB VAL A 29 3.506 0.447 1.255 1.00 0.00 C ATOM 428 CG1 VAL A 29 3.636 1.509 0.161 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.812 1.017 2.493 1.00 0.00 C ATOM 0 H VAL A 29 3.322 -1.618 2.577 1.00 0.00 H new ATOM 0 HA VAL A 29 1.730 -0.498 0.593 1.00 0.00 H new ATOM 0 HB VAL A 29 4.511 0.141 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.162 2.377 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.196 1.099 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.643 1.808 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.355 1.895 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.790 1.300 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.795 0.263 3.280 1.00 0.00 H new ATOM 439 N SER A 30 4.484 -1.853 -0.587 1.00 0.00 N ATOM 440 CA SER A 30 5.105 -2.359 -1.800 1.00 0.00 C ATOM 441 C SER A 30 4.121 -3.253 -2.558 1.00 0.00 C ATOM 442 O SER A 30 3.769 -2.965 -3.701 1.00 0.00 O ATOM 443 CB SER A 30 6.387 -3.130 -1.482 1.00 0.00 C ATOM 444 OG SER A 30 6.699 -4.086 -2.491 1.00 0.00 O ATOM 0 H SER A 30 5.034 -1.986 0.261 1.00 0.00 H new ATOM 0 HA SER A 30 5.371 -1.509 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.215 -2.429 -1.378 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.277 -3.637 -0.524 1.00 0.00 H new ATOM 0 HG SER A 30 7.525 -4.556 -2.252 1.00 0.00 H new ATOM 450 N ARG A 31 3.705 -4.319 -1.891 1.00 0.00 N ATOM 451 CA ARG A 31 2.769 -5.257 -2.487 1.00 0.00 C ATOM 452 C ARG A 31 1.713 -4.507 -3.302 1.00 0.00 C ATOM 453 O ARG A 31 1.442 -4.861 -4.448 1.00 0.00 O ATOM 454 CB ARG A 31 2.074 -6.098 -1.415 1.00 0.00 C ATOM 455 CG ARG A 31 1.875 -7.538 -1.892 1.00 0.00 C ATOM 456 CD ARG A 31 0.661 -8.177 -1.214 1.00 0.00 C ATOM 457 NE ARG A 31 -0.005 -9.114 -2.147 1.00 0.00 N ATOM 458 CZ ARG A 31 -1.009 -9.931 -1.802 1.00 0.00 C ATOM 459 NH1 ARG A 31 -1.470 -9.932 -0.543 1.00 0.00 N ATOM 460 NH2 ARG A 31 -1.553 -10.748 -2.715 1.00 0.00 N ATOM 0 H ARG A 31 3.999 -4.554 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 31 3.335 -5.920 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.668 -6.093 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.108 -5.656 -1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.741 -7.551 -2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.768 -8.124 -1.674 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.974 -8.707 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.040 -7.403 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 31 0.321 -9.139 -3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.056 -9.311 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.234 -10.554 -0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.202 -10.748 -3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.317 -11.370 -2.452 1.00 0.00 H new ATOM 474 N CYS A 32 1.145 -3.485 -2.677 1.00 0.00 N ATOM 475 CA CYS A 32 0.125 -2.683 -3.330 1.00 0.00 C ATOM 476 C CYS A 32 0.706 -2.136 -4.635 1.00 0.00 C ATOM 477 O CYS A 32 0.094 -2.267 -5.694 1.00 0.00 O ATOM 478 CB CYS A 32 -0.383 -1.564 -2.418 1.00 0.00 C ATOM 479 SG CYS A 32 -2.070 -1.065 -2.921 1.00 0.00 S ATOM 0 H CYS A 32 1.372 -3.195 -1.726 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.743 -3.304 -3.553 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.389 -1.902 -1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.289 -0.708 -2.470 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.063 -0.712 -4.172 1.00 0.00 H new ATOM 485 N MET A 33 1.880 -1.534 -4.517 1.00 0.00 N ATOM 486 CA MET A 33 2.551 -0.967 -5.674 1.00 0.00 C ATOM 487 C MET A 33 2.776 -2.029 -6.752 1.00 0.00 C ATOM 488 O MET A 33 2.427 -1.823 -7.914 1.00 0.00 O ATOM 489 CB MET A 33 3.897 -0.379 -5.247 1.00 0.00 C ATOM 490 CG MET A 33 3.701 0.877 -4.396 1.00 0.00 C ATOM 491 SD MET A 33 4.172 2.326 -5.327 1.00 0.00 S ATOM 492 CE MET A 33 5.926 2.035 -5.486 1.00 0.00 C ATOM 0 H MET A 33 2.384 -1.426 -3.637 1.00 0.00 H new ATOM 0 HA MET A 33 1.918 -0.183 -6.089 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.459 -1.122 -4.681 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.488 -0.136 -6.130 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.659 0.957 -4.086 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.300 0.808 -3.488 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.269 2.401 -6.454 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.455 2.560 -4.691 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.126 0.966 -5.411 1.00 0.00 H new ATOM 502 N LEU A 34 3.358 -3.142 -6.330 1.00 0.00 N ATOM 503 CA LEU A 34 3.634 -4.236 -7.244 1.00 0.00 C ATOM 504 C LEU A 34 2.342 -4.636 -7.959 1.00 0.00 C ATOM 505 O LEU A 34 2.381 -5.260 -9.018 1.00 0.00 O ATOM 506 CB LEU A 34 4.313 -5.392 -6.507 1.00 0.00 C ATOM 507 CG LEU A 34 5.825 -5.269 -6.313 1.00 0.00 C ATOM 508 CD1 LEU A 34 6.399 -6.526 -5.656 1.00 0.00 C ATOM 509 CD2 LEU A 34 6.523 -4.944 -7.636 1.00 0.00 C ATOM 0 H LEU A 34 3.646 -3.309 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 34 4.340 -3.921 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.848 -5.494 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.111 -6.313 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 34 6.015 -4.437 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.476 -6.411 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.933 -6.672 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.198 -7.391 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.597 -4.862 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.327 -5.739 -8.356 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.143 -4.000 -8.026 1.00 0.00 H new ATOM 521 N GLN A 35 1.226 -4.261 -7.350 1.00 0.00 N ATOM 522 CA GLN A 35 -0.076 -4.573 -7.915 1.00 0.00 C ATOM 523 C GLN A 35 -0.591 -3.395 -8.744 1.00 0.00 C ATOM 524 O GLN A 35 -1.447 -3.568 -9.611 1.00 0.00 O ATOM 525 CB GLN A 35 -1.074 -4.949 -6.817 1.00 0.00 C ATOM 526 CG GLN A 35 -0.780 -6.345 -6.264 1.00 0.00 C ATOM 527 CD GLN A 35 -1.912 -7.317 -6.601 1.00 0.00 C ATOM 528 OE1 GLN A 35 -2.449 -7.330 -7.697 1.00 0.00 O ATOM 529 NE2 GLN A 35 -2.244 -8.129 -5.601 1.00 0.00 N ATOM 0 H GLN A 35 1.197 -3.744 -6.471 1.00 0.00 H new ATOM 0 HA GLN A 35 0.032 -5.435 -8.573 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.026 -4.217 -6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.088 -4.918 -7.216 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.157 -6.715 -6.679 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.651 -6.292 -5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.754 -8.066 -4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.988 -8.815 -5.727 1.00 0.00 H new ATOM 538 N ASN A 36 -0.048 -2.223 -8.449 1.00 0.00 N ATOM 539 CA ASN A 36 -0.442 -1.016 -9.156 1.00 0.00 C ATOM 540 C ASN A 36 0.688 -0.589 -10.095 1.00 0.00 C ATOM 541 O ASN A 36 0.749 0.566 -10.513 1.00 0.00 O ATOM 542 CB ASN A 36 -0.707 0.132 -8.181 1.00 0.00 C ATOM 543 CG ASN A 36 -1.992 -0.108 -7.387 1.00 0.00 C ATOM 544 OD1 ASN A 36 -1.797 -0.291 -6.084 1.00 0.00 O flip ATOM 545 ND2 ASN A 36 -3.089 -0.125 -7.921 1.00 0.00 N flip ATOM 0 H ASN A 36 0.662 -2.083 -7.730 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.354 -1.233 -9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.135 0.233 -7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.785 1.070 -8.731 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.169 0.023 -8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.926 -0.287 -7.361 1.00 0.00 H new ATOM 552 N ASN A 37 1.554 -1.544 -10.400 1.00 0.00 N ATOM 553 CA ASN A 37 2.678 -1.281 -11.282 1.00 0.00 C ATOM 554 C ASN A 37 3.414 -0.027 -10.804 1.00 0.00 C ATOM 555 O ASN A 37 3.848 0.790 -11.614 1.00 0.00 O ATOM 556 CB ASN A 37 2.207 -1.034 -12.716 1.00 0.00 C ATOM 557 CG ASN A 37 2.046 -2.353 -13.475 1.00 0.00 C ATOM 558 OD1 ASN A 37 2.193 -3.435 -12.930 1.00 0.00 O ATOM 559 ND2 ASN A 37 1.737 -2.204 -14.760 1.00 0.00 N ATOM 0 H ASN A 37 1.500 -2.501 -10.052 1.00 0.00 H new ATOM 0 HA ASN A 37 3.333 -2.152 -11.262 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.257 -0.499 -12.704 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.925 -0.398 -13.234 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.609 -3.025 -15.352 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.628 -1.269 -15.153 1.00 0.00 H new ATOM 566 N ASN A 38 3.531 0.086 -9.489 1.00 0.00 N ATOM 567 CA ASN A 38 4.206 1.226 -8.893 1.00 0.00 C ATOM 568 C ASN A 38 3.475 2.511 -9.290 1.00 0.00 C ATOM 569 O ASN A 38 3.822 3.144 -10.285 1.00 0.00 O ATOM 570 CB ASN A 38 5.650 1.332 -9.387 1.00 0.00 C ATOM 571 CG ASN A 38 6.202 -0.045 -9.764 1.00 0.00 C ATOM 572 OD1 ASN A 38 6.389 -0.855 -8.727 1.00 0.00 O flip ATOM 573 ND2 ASN A 38 6.442 -0.350 -10.921 1.00 0.00 N flip ATOM 0 H ASN A 38 3.170 -0.593 -8.820 1.00 0.00 H new ATOM 0 HA ASN A 38 4.204 1.091 -7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.695 1.995 -10.251 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.272 1.777 -8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.275 0.321 -11.671 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.810 -1.276 -11.138 1.00 0.00 H new ATOM 580 N ASN A 39 2.477 2.857 -8.490 1.00 0.00 N ATOM 581 CA ASN A 39 1.694 4.054 -8.746 1.00 0.00 C ATOM 582 C ASN A 39 1.511 4.827 -7.438 1.00 0.00 C ATOM 583 O ASN A 39 1.663 4.265 -6.354 1.00 0.00 O ATOM 584 CB ASN A 39 0.307 3.701 -9.284 1.00 0.00 C ATOM 585 CG ASN A 39 0.016 4.452 -10.585 1.00 0.00 C ATOM 586 OD1 ASN A 39 0.496 5.549 -10.820 1.00 0.00 O ATOM 587 ND2 ASN A 39 -0.795 3.802 -11.415 1.00 0.00 N ATOM 0 H ASN A 39 2.193 2.330 -7.665 1.00 0.00 H new ATOM 0 HA ASN A 39 2.225 4.653 -9.486 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.243 2.627 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.450 3.949 -8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.050 4.219 -12.310 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.162 2.886 -11.156 1.00 0.00 H new ATOM 594 N LEU A 40 1.187 6.103 -7.583 1.00 0.00 N ATOM 595 CA LEU A 40 0.981 6.959 -6.426 1.00 0.00 C ATOM 596 C LEU A 40 -0.503 6.959 -6.055 1.00 0.00 C ATOM 597 O LEU A 40 -0.901 6.334 -5.073 1.00 0.00 O ATOM 598 CB LEU A 40 1.551 8.355 -6.685 1.00 0.00 C ATOM 599 CG LEU A 40 2.237 9.031 -5.496 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.507 9.760 -5.938 1.00 0.00 C ATOM 601 CD2 LEU A 40 1.269 9.960 -4.760 1.00 0.00 C ATOM 0 H LEU A 40 1.062 6.565 -8.484 1.00 0.00 H new ATOM 0 HA LEU A 40 1.525 6.573 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.269 8.287 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.740 8.999 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 40 2.539 8.257 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.975 10.232 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.201 9.046 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.251 10.523 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.782 10.428 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.914 10.731 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.420 9.383 -4.392 1.00 0.00 H new ATOM 613 N ASP A 41 -1.281 7.668 -6.859 1.00 0.00 N ATOM 614 CA ASP A 41 -2.713 7.758 -6.627 1.00 0.00 C ATOM 615 C ASP A 41 -3.320 6.354 -6.664 1.00 0.00 C ATOM 616 O ASP A 41 -3.926 5.910 -5.689 1.00 0.00 O ATOM 617 CB ASP A 41 -3.395 8.596 -7.710 1.00 0.00 C ATOM 618 CG ASP A 41 -3.668 10.051 -7.326 1.00 0.00 C ATOM 619 OD1 ASP A 41 -4.497 10.251 -6.412 1.00 0.00 O ATOM 620 OD2 ASP A 41 -3.040 10.931 -7.954 1.00 0.00 O ATOM 0 H ASP A 41 -0.947 8.186 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.868 8.228 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.772 8.583 -8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.341 8.122 -7.973 1.00 0.00 H new ATOM 625 N ALA A 42 -3.137 5.694 -7.798 1.00 0.00 N ATOM 626 CA ALA A 42 -3.659 4.349 -7.974 1.00 0.00 C ATOM 627 C ALA A 42 -3.403 3.537 -6.703 1.00 0.00 C ATOM 628 O ALA A 42 -4.152 2.612 -6.391 1.00 0.00 O ATOM 629 CB ALA A 42 -3.023 3.712 -9.211 1.00 0.00 C ATOM 0 H ALA A 42 -2.635 6.065 -8.604 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.736 4.374 -8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.415 2.703 -9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.259 4.311 -10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.942 3.667 -9.082 1.00 0.00 H new ATOM 635 N CYS A 43 -2.342 3.911 -6.003 1.00 0.00 N ATOM 636 CA CYS A 43 -1.977 3.229 -4.774 1.00 0.00 C ATOM 637 C CYS A 43 -2.707 3.908 -3.613 1.00 0.00 C ATOM 638 O CYS A 43 -3.441 3.258 -2.870 1.00 0.00 O ATOM 639 CB CYS A 43 -0.462 3.212 -4.564 1.00 0.00 C ATOM 640 SG CYS A 43 -0.009 1.896 -3.375 1.00 0.00 S ATOM 0 H CYS A 43 -1.723 4.679 -6.264 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.281 2.184 -4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.043 3.044 -5.515 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.127 4.180 -4.192 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.896 0.947 -3.419 1.00 0.00 H new ATOM 646 N CYS A 44 -2.479 5.208 -3.493 1.00 0.00 N ATOM 647 CA CYS A 44 -3.105 5.983 -2.435 1.00 0.00 C ATOM 648 C CYS A 44 -4.562 5.535 -2.310 1.00 0.00 C ATOM 649 O CYS A 44 -4.993 5.102 -1.242 1.00 0.00 O ATOM 650 CB CYS A 44 -2.990 7.487 -2.691 1.00 0.00 C ATOM 651 SG CYS A 44 -3.504 8.417 -1.201 1.00 0.00 S ATOM 0 H CYS A 44 -1.870 5.744 -4.111 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.588 5.801 -1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.963 7.742 -2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.614 7.769 -3.539 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.039 7.827 -0.140 1.00 0.00 H new ATOM 657 N ALA A 45 -5.282 5.654 -3.416 1.00 0.00 N ATOM 658 CA ALA A 45 -6.682 5.266 -3.443 1.00 0.00 C ATOM 659 C ALA A 45 -6.850 3.925 -2.727 1.00 0.00 C ATOM 660 O ALA A 45 -7.637 3.812 -1.789 1.00 0.00 O ATOM 661 CB ALA A 45 -7.170 5.219 -4.893 1.00 0.00 C ATOM 0 H ALA A 45 -4.922 6.014 -4.300 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.294 5.998 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.220 4.928 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.057 6.203 -5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.581 4.492 -5.452 1.00 0.00 H new ATOM 667 N VAL A 46 -6.096 2.941 -3.197 1.00 0.00 N ATOM 668 CA VAL A 46 -6.152 1.612 -2.614 1.00 0.00 C ATOM 669 C VAL A 46 -5.754 1.690 -1.139 1.00 0.00 C ATOM 670 O VAL A 46 -6.538 1.332 -0.261 1.00 0.00 O ATOM 671 CB VAL A 46 -5.276 0.650 -3.419 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.130 -0.692 -2.699 1.00 0.00 C ATOM 673 CG2 VAL A 46 -5.829 0.456 -4.832 1.00 0.00 C ATOM 0 H VAL A 46 -5.443 3.038 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.168 1.219 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.284 1.094 -3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.503 -1.357 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.670 -0.534 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.114 -1.143 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.188 -0.232 -5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.837 0.045 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.857 1.416 -5.347 1.00 0.00 H new ATOM 683 N LEU A 47 -4.536 2.160 -0.911 1.00 0.00 N ATOM 684 CA LEU A 47 -4.025 2.290 0.442 1.00 0.00 C ATOM 685 C LEU A 47 -5.122 2.859 1.345 1.00 0.00 C ATOM 686 O LEU A 47 -5.507 2.231 2.331 1.00 0.00 O ATOM 687 CB LEU A 47 -2.734 3.112 0.451 1.00 0.00 C ATOM 688 CG LEU A 47 -1.498 2.426 -0.133 1.00 0.00 C ATOM 689 CD1 LEU A 47 -0.468 3.456 -0.600 1.00 0.00 C ATOM 690 CD2 LEU A 47 -0.901 1.430 0.864 1.00 0.00 C ATOM 0 H LEU A 47 -3.888 2.455 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.756 1.313 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.910 4.034 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.515 3.396 1.480 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.806 1.858 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.401 2.941 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.910 4.091 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.159 4.071 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.024 0.956 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.612 1.955 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.642 0.668 1.105 1.00 0.00 H new ATOM 702 N SER A 48 -5.594 4.040 0.977 1.00 0.00 N ATOM 703 CA SER A 48 -6.639 4.700 1.741 1.00 0.00 C ATOM 704 C SER A 48 -7.666 3.672 2.219 1.00 0.00 C ATOM 705 O SER A 48 -8.244 3.821 3.295 1.00 0.00 O ATOM 706 CB SER A 48 -7.324 5.788 0.911 1.00 0.00 C ATOM 707 OG SER A 48 -8.625 6.096 1.406 1.00 0.00 O ATOM 0 H SER A 48 -5.272 4.558 0.159 1.00 0.00 H new ATOM 0 HA SER A 48 -6.180 5.176 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.711 6.689 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.399 5.460 -0.126 1.00 0.00 H new ATOM 0 HG SER A 48 -9.029 6.795 0.851 1.00 0.00 H new ATOM 713 N GLN A 49 -7.861 2.651 1.398 1.00 0.00 N ATOM 714 CA GLN A 49 -8.808 1.598 1.724 1.00 0.00 C ATOM 715 C GLN A 49 -8.093 0.437 2.416 1.00 0.00 C ATOM 716 O GLN A 49 -8.509 -0.004 3.486 1.00 0.00 O ATOM 717 CB GLN A 49 -9.547 1.119 0.473 1.00 0.00 C ATOM 718 CG GLN A 49 -10.649 2.103 0.076 1.00 0.00 C ATOM 719 CD GLN A 49 -11.874 1.948 0.980 1.00 0.00 C ATOM 720 OE1 GLN A 49 -11.894 1.163 1.914 1.00 0.00 O ATOM 721 NE2 GLN A 49 -12.892 2.739 0.652 1.00 0.00 N ATOM 0 H GLN A 49 -7.379 2.530 0.507 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.550 2.004 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.841 1.007 -0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.981 0.136 0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.271 3.123 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.935 1.935 -0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.809 3.374 -0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.755 2.711 1.195 1.00 0.00 H new ATOM 730 N GLU A 50 -7.028 -0.026 1.778 1.00 0.00 N ATOM 731 CA GLU A 50 -6.251 -1.128 2.319 1.00 0.00 C ATOM 732 C GLU A 50 -5.919 -0.871 3.791 1.00 0.00 C ATOM 733 O GLU A 50 -6.009 -1.777 4.618 1.00 0.00 O ATOM 734 CB GLU A 50 -4.977 -1.354 1.502 1.00 0.00 C ATOM 735 CG GLU A 50 -5.138 -2.546 0.555 1.00 0.00 C ATOM 736 CD GLU A 50 -5.100 -3.867 1.326 1.00 0.00 C ATOM 737 OE1 GLU A 50 -6.179 -4.273 1.810 1.00 0.00 O ATOM 738 OE2 GLU A 50 -3.993 -4.442 1.413 1.00 0.00 O ATOM 0 H GLU A 50 -6.685 0.342 0.891 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.851 -2.036 2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.745 -0.457 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.136 -1.529 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.082 -2.462 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.343 -2.533 -0.191 1.00 0.00 H new ATOM 745 N SER A 51 -5.543 0.368 4.072 1.00 0.00 N ATOM 746 CA SER A 51 -5.198 0.755 5.429 1.00 0.00 C ATOM 747 C SER A 51 -6.262 0.248 6.405 1.00 0.00 C ATOM 748 O SER A 51 -5.978 -0.593 7.256 1.00 0.00 O ATOM 749 CB SER A 51 -5.049 2.273 5.548 1.00 0.00 C ATOM 750 OG SER A 51 -3.731 2.707 5.221 1.00 0.00 O ATOM 0 H SER A 51 -5.470 1.117 3.383 1.00 0.00 H new ATOM 0 HA SER A 51 -4.239 0.302 5.680 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.766 2.761 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.291 2.583 6.565 1.00 0.00 H new ATOM 0 HG SER A 51 -3.677 3.682 5.307 1.00 0.00 H new ATOM 756 N THR A 52 -7.464 0.782 6.248 1.00 0.00 N ATOM 757 CA THR A 52 -8.572 0.394 7.104 1.00 0.00 C ATOM 758 C THR A 52 -8.747 -1.126 7.096 1.00 0.00 C ATOM 759 O THR A 52 -9.324 -1.693 8.022 1.00 0.00 O ATOM 760 CB THR A 52 -9.818 1.151 6.638 1.00 0.00 C ATOM 761 OG1 THR A 52 -9.725 1.130 5.216 1.00 0.00 O ATOM 762 CG2 THR A 52 -9.766 2.639 6.993 1.00 0.00 C ATOM 0 H THR A 52 -7.695 1.480 5.541 1.00 0.00 H new ATOM 0 HA THR A 52 -8.380 0.662 8.143 1.00 0.00 H new ATOM 0 HB THR A 52 -10.704 0.702 7.086 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.360 0.268 4.925 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.673 3.129 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.689 2.753 8.074 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.898 3.096 6.518 1.00 0.00 H new ATOM 770 N ARG A 53 -8.237 -1.742 6.039 1.00 0.00 N ATOM 771 CA ARG A 53 -8.329 -3.185 5.898 1.00 0.00 C ATOM 772 C ARG A 53 -7.501 -3.878 6.982 1.00 0.00 C ATOM 773 O ARG A 53 -7.852 -4.967 7.434 1.00 0.00 O ATOM 774 CB ARG A 53 -7.834 -3.636 4.522 1.00 0.00 C ATOM 775 CG ARG A 53 -8.716 -4.755 3.963 1.00 0.00 C ATOM 776 CD ARG A 53 -8.460 -6.073 4.696 1.00 0.00 C ATOM 777 NE ARG A 53 -9.715 -6.563 5.308 1.00 0.00 N ATOM 778 CZ ARG A 53 -9.775 -7.557 6.205 1.00 0.00 C ATOM 779 NH1 ARG A 53 -8.652 -8.172 6.600 1.00 0.00 N ATOM 780 NH2 ARG A 53 -10.958 -7.935 6.708 1.00 0.00 N ATOM 0 H ARG A 53 -7.759 -1.268 5.273 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.378 -3.463 6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.835 -2.789 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.804 -3.983 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.766 -4.478 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.517 -4.882 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.071 -6.816 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.702 -5.929 5.466 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.589 -6.116 5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.751 -7.884 6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.698 -8.928 7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.813 -7.466 6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.004 -8.692 7.391 1.00 0.00 H new ATOM 794 N TYR A 54 -6.419 -3.219 7.368 1.00 0.00 N ATOM 795 CA TYR A 54 -5.539 -3.758 8.391 1.00 0.00 C ATOM 796 C TYR A 54 -5.805 -3.100 9.746 1.00 0.00 C ATOM 797 O TYR A 54 -5.449 -3.650 10.788 1.00 0.00 O ATOM 798 CB TYR A 54 -4.115 -3.419 7.944 1.00 0.00 C ATOM 799 CG TYR A 54 -3.592 -4.303 6.809 1.00 0.00 C ATOM 800 CD1 TYR A 54 -4.194 -4.260 5.568 1.00 0.00 C ATOM 801 CD2 TYR A 54 -2.519 -5.142 7.027 1.00 0.00 C ATOM 802 CE1 TYR A 54 -3.702 -5.092 4.500 1.00 0.00 C ATOM 803 CE2 TYR A 54 -2.026 -5.973 5.960 1.00 0.00 C ATOM 804 CZ TYR A 54 -2.642 -5.907 4.749 1.00 0.00 C ATOM 805 OH TYR A 54 -2.177 -6.692 3.740 1.00 0.00 O ATOM 0 H TYR A 54 -6.131 -2.316 6.991 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.697 -4.830 8.507 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.084 -2.378 7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.445 -3.509 8.799 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.034 -3.603 5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.049 -5.175 7.999 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.164 -5.069 3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.186 -6.634 6.117 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.417 -7.221 4.061 1.00 0.00 H new ATOM 815 N LEU A 55 -6.430 -1.933 9.689 1.00 0.00 N ATOM 816 CA LEU A 55 -6.748 -1.195 10.899 1.00 0.00 C ATOM 817 C LEU A 55 -8.132 -1.614 11.398 1.00 0.00 C ATOM 818 O LEU A 55 -8.317 -2.743 11.850 1.00 0.00 O ATOM 819 CB LEU A 55 -6.611 0.310 10.660 1.00 0.00 C ATOM 820 CG LEU A 55 -5.183 0.837 10.503 1.00 0.00 C ATOM 821 CD1 LEU A 55 -5.062 1.735 9.271 1.00 0.00 C ATOM 822 CD2 LEU A 55 -4.717 1.545 11.777 1.00 0.00 C ATOM 0 H LEU A 55 -6.725 -1.481 8.824 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.037 -1.435 11.689 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.173 0.568 9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.081 0.834 11.492 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.520 -0.014 10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.037 2.096 9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.324 1.166 8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.738 2.584 9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.699 1.910 11.639 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.378 2.385 11.989 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.741 0.845 12.612 1.00 0.00 H new ATOM 834 N TYR A 56 -9.069 -0.682 11.300 1.00 0.00 N ATOM 835 CA TYR A 56 -10.431 -0.941 11.736 1.00 0.00 C ATOM 836 C TYR A 56 -11.121 -1.947 10.811 1.00 0.00 C ATOM 837 O TYR A 56 -12.151 -1.640 10.213 1.00 0.00 O ATOM 838 CB TYR A 56 -11.164 0.399 11.649 1.00 0.00 C ATOM 839 CG TYR A 56 -10.362 1.583 12.194 1.00 0.00 C ATOM 840 CD1 TYR A 56 -10.246 1.769 13.556 1.00 0.00 C ATOM 841 CD2 TYR A 56 -9.754 2.464 11.322 1.00 0.00 C ATOM 842 CE1 TYR A 56 -9.491 2.883 14.069 1.00 0.00 C ATOM 843 CE2 TYR A 56 -9.000 3.578 11.835 1.00 0.00 C ATOM 844 CZ TYR A 56 -8.905 3.733 13.183 1.00 0.00 C ATOM 845 OH TYR A 56 -8.193 4.785 13.667 1.00 0.00 O ATOM 0 H TYR A 56 -8.912 0.253 10.925 1.00 0.00 H new ATOM 0 HA TYR A 56 -10.439 -1.357 12.743 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.420 0.595 10.608 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.102 0.325 12.199 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.721 1.079 14.238 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -9.844 2.318 10.256 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.392 3.040 15.133 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -8.520 4.275 11.164 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.831 5.306 12.920 1.00 0.00 H new ATOM 855 N GLY A 57 -10.525 -3.127 10.723 1.00 0.00 N ATOM 856 CA GLY A 57 -11.069 -4.179 9.882 1.00 0.00 C ATOM 857 C GLY A 57 -10.877 -5.552 10.528 1.00 0.00 C ATOM 858 O GLY A 57 -9.748 -6.009 10.700 1.00 0.00 O ATOM 0 H GLY A 57 -9.671 -3.378 11.220 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.130 -3.999 9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.580 -4.160 8.908 1.00 0.00 H new ATOM 862 N GLU A 58 -11.998 -6.172 10.869 1.00 0.00 N ATOM 863 CA GLU A 58 -11.967 -7.484 11.493 1.00 0.00 C ATOM 864 C GLU A 58 -10.874 -8.348 10.860 1.00 0.00 C ATOM 865 O GLU A 58 -10.843 -8.521 9.643 1.00 0.00 O ATOM 866 CB GLU A 58 -13.332 -8.169 11.397 1.00 0.00 C ATOM 867 CG GLU A 58 -14.184 -7.870 12.632 1.00 0.00 C ATOM 868 CD GLU A 58 -15.129 -9.033 12.940 1.00 0.00 C ATOM 869 OE1 GLU A 58 -15.971 -9.327 12.065 1.00 0.00 O ATOM 870 OE2 GLU A 58 -14.987 -9.602 14.045 1.00 0.00 O ATOM 0 H GLU A 58 -12.933 -5.790 10.725 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.735 -7.356 12.550 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.852 -7.828 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.196 -9.246 11.297 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.536 -7.686 13.489 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.762 -6.961 12.468 1.00 0.00 H new ATOM 877 N GLY A 59 -10.005 -8.866 11.715 1.00 0.00 N ATOM 878 CA GLY A 59 -8.913 -9.707 11.254 1.00 0.00 C ATOM 879 C GLY A 59 -7.723 -8.860 10.797 1.00 0.00 C ATOM 880 O GLY A 59 -7.813 -8.145 9.800 1.00 0.00 O ATOM 0 H GLY A 59 -10.035 -8.720 12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.601 -10.376 12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.255 -10.334 10.431 1.00 0.00 H new ATOM 884 N ASP A 60 -6.637 -8.970 11.547 1.00 0.00 N ATOM 885 CA ASP A 60 -5.431 -8.223 11.231 1.00 0.00 C ATOM 886 C ASP A 60 -4.286 -9.202 10.965 1.00 0.00 C ATOM 887 O ASP A 60 -3.119 -8.811 10.960 1.00 0.00 O ATOM 888 CB ASP A 60 -5.021 -7.321 12.397 1.00 0.00 C ATOM 889 CG ASP A 60 -6.113 -6.374 12.897 1.00 0.00 C ATOM 890 OD1 ASP A 60 -7.269 -6.559 12.459 1.00 0.00 O ATOM 891 OD2 ASP A 60 -5.767 -5.486 13.706 1.00 0.00 O ATOM 0 H ASP A 60 -6.566 -9.565 12.373 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.634 -7.608 10.354 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.698 -7.950 13.227 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.159 -6.728 12.092 1.00 0.00 H new ATOM 896 N LEU A 61 -4.658 -10.455 10.749 1.00 0.00 N ATOM 897 CA LEU A 61 -3.677 -11.492 10.482 1.00 0.00 C ATOM 898 C LEU A 61 -2.682 -11.557 11.643 1.00 0.00 C ATOM 899 O LEU A 61 -1.770 -10.737 11.730 1.00 0.00 O ATOM 900 CB LEU A 61 -3.018 -11.269 9.120 1.00 0.00 C ATOM 901 CG LEU A 61 -3.666 -11.989 7.935 1.00 0.00 C ATOM 902 CD1 LEU A 61 -4.034 -11.000 6.827 1.00 0.00 C ATOM 903 CD2 LEU A 61 -2.769 -13.117 7.422 1.00 0.00 C ATOM 0 H LEU A 61 -5.626 -10.775 10.754 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.161 -12.467 10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.014 -10.199 8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.977 -11.585 9.186 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.594 -12.447 8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.493 -11.538 5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.738 -10.264 7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.134 -10.493 6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.253 -13.612 6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.813 -12.704 7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.601 -13.840 8.220 1.00 0.00 H new ATOM 915 N ASN A 62 -2.891 -12.541 12.505 1.00 0.00 N ATOM 916 CA ASN A 62 -2.024 -12.724 13.657 1.00 0.00 C ATOM 917 C ASN A 62 -2.136 -11.505 14.573 1.00 0.00 C ATOM 918 O ASN A 62 -2.693 -10.480 14.183 1.00 0.00 O ATOM 919 CB ASN A 62 -0.561 -12.861 13.229 1.00 0.00 C ATOM 920 CG ASN A 62 -0.390 -13.995 12.216 1.00 0.00 C ATOM 921 OD1 ASN A 62 -0.864 -13.936 11.093 1.00 0.00 O ATOM 922 ND2 ASN A 62 0.312 -15.028 12.673 1.00 0.00 N ATOM 0 H ASN A 62 -3.648 -13.220 12.429 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.336 -13.632 14.173 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.217 -11.923 12.792 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.061 -13.053 14.103 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.482 -15.835 12.073 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.681 -15.013 13.624 1.00 0.00 H new ATOM 929 N PHE A 63 -1.598 -11.655 15.775 1.00 0.00 N ATOM 930 CA PHE A 63 -1.631 -10.579 16.750 1.00 0.00 C ATOM 931 C PHE A 63 -3.042 -10.002 16.882 1.00 0.00 C ATOM 932 O PHE A 63 -3.407 -9.074 16.163 1.00 0.00 O ATOM 933 CB PHE A 63 -0.691 -9.485 16.240 1.00 0.00 C ATOM 934 CG PHE A 63 0.765 -9.662 16.676 1.00 0.00 C ATOM 935 CD1 PHE A 63 1.063 -9.855 17.988 1.00 0.00 C ATOM 936 CD2 PHE A 63 1.761 -9.625 15.750 1.00 0.00 C ATOM 937 CE1 PHE A 63 2.414 -10.019 18.393 1.00 0.00 C ATOM 938 CE2 PHE A 63 3.112 -9.790 16.155 1.00 0.00 C ATOM 939 CZ PHE A 63 3.410 -9.983 17.467 1.00 0.00 C ATOM 0 H PHE A 63 -1.137 -12.506 16.095 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.328 -10.953 17.728 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.733 -9.463 15.151 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.050 -8.518 16.593 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.272 -9.884 18.723 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.524 -9.470 14.708 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.651 -10.172 19.436 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.903 -9.762 15.420 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.438 -10.108 17.774 1.00 0.00 H new ATOM 949 N SER A 64 -3.797 -10.576 17.808 1.00 0.00 N ATOM 950 CA SER A 64 -5.159 -10.131 18.044 1.00 0.00 C ATOM 951 C SER A 64 -5.753 -10.875 19.241 1.00 0.00 C ATOM 952 O SER A 64 -6.526 -11.817 19.070 1.00 0.00 O ATOM 953 CB SER A 64 -6.030 -10.340 16.804 1.00 0.00 C ATOM 954 OG SER A 64 -7.416 -10.175 17.090 1.00 0.00 O ATOM 0 H SER A 64 -3.490 -11.345 18.403 1.00 0.00 H new ATOM 0 HA SER A 64 -5.136 -9.063 18.263 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.733 -9.633 16.029 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.859 -11.340 16.405 1.00 0.00 H new ATOM 0 HG SER A 64 -7.938 -10.315 16.272 1.00 0.00 H new ATOM 960 N ASP A 65 -5.370 -10.425 20.427 1.00 0.00 N ATOM 961 CA ASP A 65 -5.855 -11.037 21.652 1.00 0.00 C ATOM 962 C ASP A 65 -5.227 -10.329 22.854 1.00 0.00 C ATOM 963 O ASP A 65 -4.019 -10.416 23.069 1.00 0.00 O ATOM 964 CB ASP A 65 -5.469 -12.516 21.720 1.00 0.00 C ATOM 965 CG ASP A 65 -6.624 -13.497 21.507 1.00 0.00 C ATOM 966 OD1 ASP A 65 -7.779 -13.067 21.717 1.00 0.00 O ATOM 967 OD2 ASP A 65 -6.325 -14.653 21.139 1.00 0.00 O ATOM 0 H ASP A 65 -4.729 -9.644 20.565 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.941 -10.947 21.666 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.704 -12.711 20.969 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.019 -12.714 22.693 1.00 0.00 H new ATOM 972 N ASP A 66 -6.076 -9.644 23.607 1.00 0.00 N ATOM 973 CA ASP A 66 -5.619 -8.922 24.782 1.00 0.00 C ATOM 974 C ASP A 66 -4.977 -7.603 24.346 1.00 0.00 C ATOM 975 O ASP A 66 -5.469 -6.527 24.685 1.00 0.00 O ATOM 976 CB ASP A 66 -4.570 -9.727 25.551 1.00 0.00 C ATOM 977 CG ASP A 66 -4.598 -9.542 27.069 1.00 0.00 C ATOM 978 OD1 ASP A 66 -5.608 -9.963 27.673 1.00 0.00 O ATOM 979 OD2 ASP A 66 -3.608 -8.985 27.591 1.00 0.00 O ATOM 0 H ASP A 66 -7.077 -9.574 23.426 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.481 -8.746 25.426 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.709 -10.785 25.326 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.581 -9.451 25.185 1.00 0.00 H new ATOM 984 N SER A 67 -3.888 -7.729 23.603 1.00 0.00 N ATOM 985 CA SER A 67 -3.173 -6.560 23.118 1.00 0.00 C ATOM 986 C SER A 67 -2.064 -6.988 22.155 1.00 0.00 C ATOM 987 O SER A 67 -1.552 -8.102 22.248 1.00 0.00 O ATOM 988 CB SER A 67 -2.588 -5.752 24.277 1.00 0.00 C ATOM 989 OG SER A 67 -1.502 -6.429 24.905 1.00 0.00 O ATOM 0 H SER A 67 -3.483 -8.623 23.325 1.00 0.00 H new ATOM 0 HA SER A 67 -3.880 -5.922 22.587 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.248 -4.784 23.909 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.368 -5.557 25.013 1.00 0.00 H new ATOM 0 HG SER A 67 -1.155 -5.880 25.639 1.00 0.00 H new ATOM 995 N GLY A 68 -1.724 -6.079 21.252 1.00 0.00 N ATOM 996 CA GLY A 68 -0.685 -6.348 20.274 1.00 0.00 C ATOM 997 C GLY A 68 0.176 -5.106 20.033 1.00 0.00 C ATOM 998 O GLY A 68 -0.024 -4.389 19.054 1.00 0.00 O ATOM 0 H GLY A 68 -2.150 -5.155 21.178 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.057 -7.168 20.622 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.138 -6.669 19.336 1.00 0.00 H new ATOM 1002 N ILE A 69 1.115 -4.891 20.942 1.00 0.00 N ATOM 1003 CA ILE A 69 2.007 -3.748 20.841 1.00 0.00 C ATOM 1004 C ILE A 69 2.910 -3.919 19.618 1.00 0.00 C ATOM 1005 O ILE A 69 3.686 -4.870 19.543 1.00 0.00 O ATOM 1006 CB ILE A 69 2.774 -3.550 22.149 1.00 0.00 C ATOM 1007 CG1 ILE A 69 3.478 -2.192 22.172 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.748 -4.704 22.394 1.00 0.00 C ATOM 1009 CD1 ILE A 69 3.200 -1.451 23.481 1.00 0.00 C ATOM 0 H ILE A 69 1.278 -5.489 21.752 1.00 0.00 H new ATOM 0 HA ILE A 69 1.437 -2.831 20.691 1.00 0.00 H new ATOM 0 HB ILE A 69 2.056 -3.555 22.969 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.552 -2.333 22.051 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.139 -1.589 21.330 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.280 -4.538 23.331 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.194 -5.641 22.452 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.464 -4.756 21.574 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.712 -0.489 23.470 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.127 -1.290 23.587 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.562 -2.046 24.320 1.00 0.00 H new ATOM 1021 N SER A 70 2.779 -2.982 18.690 1.00 0.00 N ATOM 1022 CA SER A 70 3.573 -3.017 17.474 1.00 0.00 C ATOM 1023 C SER A 70 4.606 -1.889 17.492 1.00 0.00 C ATOM 1024 O SER A 70 4.596 -1.046 18.388 1.00 0.00 O ATOM 1025 CB SER A 70 2.686 -2.905 16.232 1.00 0.00 C ATOM 1026 OG SER A 70 3.004 -3.895 15.258 1.00 0.00 O ATOM 0 H SER A 70 2.135 -2.194 18.756 1.00 0.00 H new ATOM 0 HA SER A 70 4.091 -3.975 17.431 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.640 -3.005 16.523 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.801 -1.914 15.793 1.00 0.00 H new ATOM 0 HG SER A 70 2.415 -3.791 14.482 1.00 0.00 H new ATOM 1032 N GLY A 71 5.474 -1.908 16.491 1.00 0.00 N ATOM 1033 CA GLY A 71 6.512 -0.897 16.380 1.00 0.00 C ATOM 1034 C GLY A 71 6.553 -0.306 14.969 1.00 0.00 C ATOM 1035 O GLY A 71 7.429 -0.645 14.175 1.00 0.00 O ATOM 0 H GLY A 71 5.480 -2.608 15.749 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.331 -0.104 17.105 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.480 -1.336 16.623 1.00 0.00 H new ATOM 1039 N PRO A 72 5.569 0.592 14.693 1.00 0.00 N ATOM 1040 CA PRO A 72 5.485 1.234 13.393 1.00 0.00 C ATOM 1041 C PRO A 72 6.559 2.313 13.243 1.00 0.00 C ATOM 1042 O PRO A 72 6.327 3.475 13.572 1.00 0.00 O ATOM 1043 CB PRO A 72 4.072 1.788 13.318 1.00 0.00 C ATOM 1044 CG PRO A 72 3.570 1.844 14.752 1.00 0.00 C ATOM 1045 CD PRO A 72 4.515 1.018 15.609 1.00 0.00 C ATOM 0 HA PRO A 72 5.672 0.543 12.571 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.064 2.778 12.862 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.434 1.150 12.706 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.537 2.875 15.105 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.555 1.452 14.817 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.920 1.607 16.432 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.004 0.162 16.050 1.00 0.00 H new ATOM 1053 N SER A 73 7.712 1.890 12.746 1.00 0.00 N ATOM 1054 CA SER A 73 8.823 2.805 12.548 1.00 0.00 C ATOM 1055 C SER A 73 9.278 3.374 13.894 1.00 0.00 C ATOM 1056 O SER A 73 8.459 3.848 14.680 1.00 0.00 O ATOM 1057 CB SER A 73 8.440 3.939 11.595 1.00 0.00 C ATOM 1058 OG SER A 73 8.124 3.457 10.292 1.00 0.00 O ATOM 0 H SER A 73 7.901 0.925 12.474 1.00 0.00 H new ATOM 0 HA SER A 73 9.646 2.251 12.097 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.584 4.479 11.999 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.263 4.650 11.529 1.00 0.00 H new ATOM 0 HG SER A 73 7.883 4.211 9.714 1.00 0.00 H new ATOM 1064 N SER A 74 10.582 3.308 14.118 1.00 0.00 N ATOM 1065 CA SER A 74 11.156 3.810 15.355 1.00 0.00 C ATOM 1066 C SER A 74 12.653 4.067 15.171 1.00 0.00 C ATOM 1067 O SER A 74 13.127 5.181 15.389 1.00 0.00 O ATOM 1068 CB SER A 74 10.922 2.832 16.508 1.00 0.00 C ATOM 1069 OG SER A 74 11.547 3.267 17.712 1.00 0.00 O ATOM 0 H SER A 74 11.258 2.914 13.463 1.00 0.00 H new ATOM 0 HA SER A 74 10.661 4.748 15.605 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.851 2.719 16.676 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.307 1.850 16.234 1.00 0.00 H new ATOM 0 HG SER A 74 11.373 2.617 18.424 1.00 0.00 H new ATOM 1075 N GLY A 75 13.356 3.017 14.772 1.00 0.00 N ATOM 1076 CA GLY A 75 14.789 3.114 14.557 1.00 0.00 C ATOM 1077 C GLY A 75 15.129 3.008 13.069 1.00 0.00 C ATOM 1078 O GLY A 75 14.632 2.121 12.377 1.00 0.00 O ATOM 0 H GLY A 75 12.959 2.095 14.592 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.156 4.062 14.951 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.297 2.322 15.107 1.00 0.00 H new TER 1082 GLY A 75