USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 643 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 77 GLN : amide:sc= -0.399 K(o=-2.2,f=-4.1) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 138:sc= 1.32 (180deg=0.753) USER MOD Set 1.3: A 81 MET CE :methyl 138:sc= -3.13! (180deg=-6.25!) USER MOD Set 2.1: A 21 THR OG1 : rot 59:sc= 0.373 USER MOD Set 2.2: A 70 THR OG1 : rot -170:sc= -1.48 USER MOD Set 3.1: A 59 SER OG : rot 34:sc= 0.712 USER MOD Set 3.2: A 66 SER OG : rot -174:sc= -1.09! USER MOD Single : A 7 SER OG : rot 19:sc= 0.14 USER MOD Single : A 8 GLN : amide:sc= 1.06 K(o=1.1,f=-0.00071) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -32:sc= 0.788 USER MOD Single : A 19 SER OG : rot 103:sc= 1.24 USER MOD Single : A 20 MET CE :methyl -158:sc= -0.166 (180deg=-0.881) USER MOD Single : A 24 TYR OH : rot -149:sc= -0.465 USER MOD Single : A 30 MET CE :methyl -151:sc= -2.01 (180deg=-4.36!) USER MOD Single : A 41 GLN : amide:sc= 0.169 X(o=0.17,f=0) USER MOD Single : A 43 ASN : amide:sc=-0.00355 K(o=-0.0036,f=-1.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 47 GLN : amide:sc= -0.0823 K(o=-0.082,f=-0.66) USER MOD Single : A 49 SER OG : rot -80:sc= 1.16 USER MOD Single : A 51 CYS SG : rot -1:sc= -0.955! USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0254) USER MOD Single : A 54 GLN : amide:sc= -0.776 X(o=-0.78,f=-0.29) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.778 USER MOD Single : A 75 SER OG : rot -76:sc= 0.0844 USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= 1.16 (180deg=0.644) USER MOD Single : A 82 MET CE :methyl -168:sc= -0.0199 (180deg=-0.237) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.305 3.605 0.692 1.00 0.00 N ATOM 32 CA SER A 7 13.212 2.859 -0.556 1.00 0.00 C ATOM 33 C SER A 7 13.443 1.362 -0.339 1.00 0.00 C ATOM 34 O SER A 7 13.465 0.890 0.797 1.00 0.00 O ATOM 35 CB SER A 7 14.188 3.420 -1.596 1.00 0.00 C ATOM 36 OG SER A 7 13.944 4.801 -1.817 1.00 0.00 O ATOM 0 HA SER A 7 12.198 2.978 -0.937 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.213 3.276 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.084 2.872 -2.533 1.00 0.00 H new ATOM 0 HG SER A 7 13.425 5.165 -1.070 1.00 0.00 H new ATOM 42 N GLN A 8 13.562 0.632 -1.439 1.00 0.00 N ATOM 43 CA GLN A 8 13.782 -0.814 -1.421 1.00 0.00 C ATOM 44 C GLN A 8 14.972 -1.236 -0.570 1.00 0.00 C ATOM 45 O GLN A 8 16.129 -0.959 -0.895 1.00 0.00 O ATOM 46 CB GLN A 8 13.964 -1.327 -2.846 1.00 0.00 C ATOM 47 CG GLN A 8 14.590 -0.299 -3.776 1.00 0.00 C ATOM 48 CD GLN A 8 14.129 -0.444 -5.211 1.00 0.00 C ATOM 49 OE1 GLN A 8 14.754 -1.136 -6.017 1.00 0.00 O ATOM 50 NE2 GLN A 8 13.013 0.191 -5.532 1.00 0.00 N ATOM 0 H GLN A 8 13.509 1.026 -2.378 1.00 0.00 H new ATOM 0 HA GLN A 8 12.897 -1.256 -0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.590 -2.219 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.994 -1.626 -3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.345 0.702 -3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.675 -0.394 -3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.527 0.753 -4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.639 0.118 -6.478 1.00 0.00 H new ATOM 59 N LEU A 9 14.660 -1.916 0.516 1.00 0.00 N ATOM 60 CA LEU A 9 15.654 -2.536 1.361 1.00 0.00 C ATOM 61 C LEU A 9 15.606 -4.037 1.153 1.00 0.00 C ATOM 62 O LEU A 9 14.576 -4.655 1.397 1.00 0.00 O ATOM 63 CB LEU A 9 15.371 -2.244 2.834 1.00 0.00 C ATOM 64 CG LEU A 9 16.554 -2.468 3.777 1.00 0.00 C ATOM 65 CD1 LEU A 9 17.704 -1.533 3.429 1.00 0.00 C ATOM 66 CD2 LEU A 9 16.125 -2.273 5.221 1.00 0.00 C ATOM 0 H LEU A 9 13.701 -2.053 0.837 1.00 0.00 H new ATOM 0 HA LEU A 9 16.634 -2.136 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.043 -1.209 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.542 -2.872 3.160 1.00 0.00 H new ATOM 0 HG LEU A 9 16.901 -3.494 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.535 -1.709 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.029 -1.721 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.372 -0.499 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.978 -2.436 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.752 -1.258 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 9 15.337 -2.985 5.466 1.00 0.00 H new ATOM 78 N GLY A 10 16.684 -4.611 0.666 1.00 0.00 N ATOM 79 CA GLY A 10 16.774 -6.058 0.587 1.00 0.00 C ATOM 80 C GLY A 10 17.746 -6.624 1.613 1.00 0.00 C ATOM 81 O GLY A 10 18.887 -6.938 1.271 1.00 0.00 O ATOM 0 H GLY A 10 17.502 -4.109 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.787 -6.492 0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.094 -6.348 -0.414 1.00 0.00 H new ATOM 85 N PRO A 11 17.331 -6.766 2.888 1.00 0.00 N ATOM 86 CA PRO A 11 18.208 -7.238 3.957 1.00 0.00 C ATOM 87 C PRO A 11 18.221 -8.761 4.081 1.00 0.00 C ATOM 88 O PRO A 11 19.009 -9.326 4.837 1.00 0.00 O ATOM 89 CB PRO A 11 17.585 -6.604 5.194 1.00 0.00 C ATOM 90 CG PRO A 11 16.122 -6.546 4.900 1.00 0.00 C ATOM 91 CD PRO A 11 15.975 -6.477 3.396 1.00 0.00 C ATOM 0 HA PRO A 11 19.251 -6.970 3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.786 -7.198 6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.991 -5.609 5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.614 -7.425 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.668 -5.675 5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.250 -7.205 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.630 -5.495 3.074 1.00 0.00 H new ATOM 99 N ILE A 12 17.339 -9.410 3.337 1.00 0.00 N ATOM 100 CA ILE A 12 17.244 -10.858 3.342 1.00 0.00 C ATOM 101 C ILE A 12 16.981 -11.337 1.912 1.00 0.00 C ATOM 102 O ILE A 12 16.424 -10.600 1.101 1.00 0.00 O ATOM 103 CB ILE A 12 16.122 -11.339 4.304 1.00 0.00 C ATOM 104 CG1 ILE A 12 16.403 -12.758 4.797 1.00 0.00 C ATOM 105 CG2 ILE A 12 14.752 -11.266 3.647 1.00 0.00 C ATOM 106 CD1 ILE A 12 17.599 -12.855 5.720 1.00 0.00 C ATOM 0 H ILE A 12 16.673 -8.949 2.717 1.00 0.00 H new ATOM 0 HA ILE A 12 18.181 -11.283 3.702 1.00 0.00 H new ATOM 0 HB ILE A 12 16.116 -10.666 5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.522 -13.134 5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 12 16.566 -13.407 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.993 -11.610 4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.541 -10.236 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.740 -11.900 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 12 17.737 -13.891 6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 12 18.491 -12.511 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.431 -12.233 6.599 1.00 0.00 H new ATOM 118 N HIS A 13 17.406 -12.551 1.599 1.00 0.00 N ATOM 119 CA HIS A 13 17.344 -13.053 0.225 1.00 0.00 C ATOM 120 C HIS A 13 16.017 -13.753 -0.131 1.00 0.00 C ATOM 121 O HIS A 13 15.679 -13.821 -1.314 1.00 0.00 O ATOM 122 CB HIS A 13 18.538 -13.967 -0.051 1.00 0.00 C ATOM 123 CG HIS A 13 19.848 -13.235 0.003 1.00 0.00 C ATOM 124 ND1 HIS A 13 20.666 -13.237 1.112 1.00 0.00 N ATOM 125 CD2 HIS A 13 20.461 -12.443 -0.910 1.00 0.00 C ATOM 126 CE1 HIS A 13 21.723 -12.484 0.876 1.00 0.00 C ATOM 127 NE2 HIS A 13 21.626 -11.986 -0.343 1.00 0.00 N ATOM 0 H HIS A 13 17.798 -13.210 2.272 1.00 0.00 H new ATOM 0 HA HIS A 13 17.390 -12.179 -0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.548 -14.777 0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.422 -14.425 -1.033 1.00 0.00 H new ATOM 0 HD2 HIS A 13 20.100 -12.213 -1.902 1.00 0.00 H new ATOM 0 HE1 HIS A 13 22.534 -12.304 1.566 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.302 -11.366 -0.789 1.00 0.00 H new ATOM 136 N PRO A 14 15.282 -14.349 0.847 1.00 0.00 N ATOM 137 CA PRO A 14 13.883 -14.769 0.669 1.00 0.00 C ATOM 138 C PRO A 14 13.038 -13.803 -0.185 1.00 0.00 C ATOM 139 O PRO A 14 13.431 -12.663 -0.429 1.00 0.00 O ATOM 140 CB PRO A 14 13.345 -14.778 2.104 1.00 0.00 C ATOM 141 CG PRO A 14 14.531 -14.877 3.007 1.00 0.00 C ATOM 142 CD PRO A 14 15.772 -14.778 2.160 1.00 0.00 C ATOM 0 HA PRO A 14 13.829 -15.721 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.777 -13.871 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.670 -15.619 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.512 -14.079 3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.517 -15.821 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.480 -14.060 2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.289 -15.736 2.098 1.00 0.00 H new ATOM 150 N PRO A 15 11.849 -14.255 -0.636 1.00 0.00 N ATOM 151 CA PRO A 15 10.931 -13.436 -1.448 1.00 0.00 C ATOM 152 C PRO A 15 10.511 -12.140 -0.738 1.00 0.00 C ATOM 153 O PRO A 15 10.757 -11.970 0.462 1.00 0.00 O ATOM 154 CB PRO A 15 9.712 -14.356 -1.635 1.00 0.00 C ATOM 155 CG PRO A 15 10.229 -15.732 -1.424 1.00 0.00 C ATOM 156 CD PRO A 15 11.308 -15.603 -0.393 1.00 0.00 C ATOM 0 HA PRO A 15 11.394 -13.112 -2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.925 -14.117 -0.920 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.283 -14.244 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.438 -16.400 -1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.621 -16.150 -2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.912 -15.701 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.072 -16.371 -0.512 1.00 0.00 H new ATOM 164 N PRO A 16 9.849 -11.212 -1.473 1.00 0.00 N ATOM 165 CA PRO A 16 9.402 -9.902 -0.947 1.00 0.00 C ATOM 166 C PRO A 16 8.350 -10.000 0.158 1.00 0.00 C ATOM 167 O PRO A 16 7.600 -9.051 0.394 1.00 0.00 O ATOM 168 CB PRO A 16 8.779 -9.220 -2.167 1.00 0.00 C ATOM 169 CG PRO A 16 8.411 -10.338 -3.065 1.00 0.00 C ATOM 170 CD PRO A 16 9.504 -11.349 -2.899 1.00 0.00 C ATOM 0 HA PRO A 16 10.239 -9.371 -0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.906 -8.629 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.484 -8.541 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.442 -10.758 -2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.337 -10.004 -4.100 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.165 -12.357 -3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.356 -11.136 -3.545 1.00 0.00 H new ATOM 178 N ARG A 17 8.290 -11.143 0.814 1.00 0.00 N ATOM 179 CA ARG A 17 7.414 -11.335 1.953 1.00 0.00 C ATOM 180 C ARG A 17 8.034 -10.681 3.177 1.00 0.00 C ATOM 181 O ARG A 17 7.358 -10.408 4.166 1.00 0.00 O ATOM 182 CB ARG A 17 7.186 -12.831 2.188 1.00 0.00 C ATOM 183 CG ARG A 17 8.458 -13.595 2.522 1.00 0.00 C ATOM 184 CD ARG A 17 8.237 -15.100 2.498 1.00 0.00 C ATOM 185 NE ARG A 17 7.111 -15.515 3.333 1.00 0.00 N ATOM 186 CZ ARG A 17 6.740 -16.785 3.502 1.00 0.00 C ATOM 187 NH1 ARG A 17 7.458 -17.766 2.972 1.00 0.00 N ATOM 188 NH2 ARG A 17 5.662 -17.078 4.216 1.00 0.00 N ATOM 0 H ARG A 17 8.846 -11.963 0.573 1.00 0.00 H new ATOM 0 HA ARG A 17 6.447 -10.871 1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.472 -12.958 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.734 -13.266 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.238 -13.331 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.813 -13.296 3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.062 -15.422 1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.142 -15.602 2.839 1.00 0.00 H new ATOM 0 HE ARG A 17 6.578 -14.791 3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.297 -17.550 2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.171 -18.736 3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.112 -16.331 4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.383 -18.051 4.342 1.00 0.00 H new ATOM 202 N THR A 18 9.333 -10.426 3.084 1.00 0.00 N ATOM 203 CA THR A 18 10.072 -9.770 4.153 1.00 0.00 C ATOM 204 C THR A 18 11.422 -9.266 3.636 1.00 0.00 C ATOM 205 O THR A 18 12.250 -8.770 4.397 1.00 0.00 O ATOM 206 CB THR A 18 10.268 -10.736 5.344 1.00 0.00 C ATOM 207 OG1 THR A 18 10.977 -10.104 6.420 1.00 0.00 O ATOM 208 CG2 THR A 18 11.014 -11.988 4.901 1.00 0.00 C ATOM 0 H THR A 18 9.900 -10.667 2.271 1.00 0.00 H new ATOM 0 HA THR A 18 9.496 -8.912 4.500 1.00 0.00 H new ATOM 0 HB THR A 18 9.278 -11.017 5.704 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.611 -9.452 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.142 -12.656 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.443 -12.496 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.992 -11.709 4.508 1.00 0.00 H new ATOM 216 N SER A 19 11.631 -9.377 2.327 1.00 0.00 N ATOM 217 CA SER A 19 12.884 -8.955 1.722 1.00 0.00 C ATOM 218 C SER A 19 12.800 -7.518 1.250 1.00 0.00 C ATOM 219 O SER A 19 12.932 -6.608 2.063 1.00 0.00 O ATOM 220 CB SER A 19 13.266 -9.891 0.573 1.00 0.00 C ATOM 221 OG SER A 19 14.427 -9.445 -0.104 1.00 0.00 O ATOM 0 H SER A 19 10.949 -9.755 1.669 1.00 0.00 H new ATOM 0 HA SER A 19 13.666 -9.010 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.435 -10.895 0.963 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.437 -9.958 -0.132 1.00 0.00 H new ATOM 0 HG SER A 19 15.196 -9.985 0.175 1.00 0.00 H new ATOM 227 N MET A 20 12.563 -7.324 -0.047 1.00 0.00 N ATOM 228 CA MET A 20 12.525 -5.994 -0.641 1.00 0.00 C ATOM 229 C MET A 20 11.429 -5.140 -0.021 1.00 0.00 C ATOM 230 O MET A 20 10.311 -5.053 -0.529 1.00 0.00 O ATOM 231 CB MET A 20 12.345 -6.081 -2.160 1.00 0.00 C ATOM 232 CG MET A 20 11.195 -6.976 -2.590 1.00 0.00 C ATOM 233 SD MET A 20 10.852 -6.883 -4.358 1.00 0.00 S ATOM 234 CE MET A 20 10.360 -5.170 -4.515 1.00 0.00 C ATOM 0 H MET A 20 12.393 -8.081 -0.709 1.00 0.00 H new ATOM 0 HA MET A 20 13.481 -5.513 -0.433 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.181 -5.079 -2.555 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.268 -6.452 -2.605 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.426 -8.008 -2.324 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.298 -6.697 -2.036 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.759 -5.045 -5.416 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.773 -4.879 -3.644 1.00 0.00 H new ATOM 0 HE3 MET A 20 11.248 -4.541 -4.581 1.00 0.00 H new ATOM 244 N THR A 21 11.764 -4.528 1.096 1.00 0.00 N ATOM 245 CA THR A 21 10.871 -3.627 1.773 1.00 0.00 C ATOM 246 C THR A 21 11.010 -2.257 1.156 1.00 0.00 C ATOM 247 O THR A 21 12.060 -1.636 1.256 1.00 0.00 O ATOM 248 CB THR A 21 11.218 -3.551 3.272 1.00 0.00 C ATOM 249 OG1 THR A 21 11.269 -4.874 3.822 1.00 0.00 O ATOM 250 CG2 THR A 21 10.200 -2.709 4.029 1.00 0.00 C ATOM 0 H THR A 21 12.667 -4.645 1.556 1.00 0.00 H new ATOM 0 HA THR A 21 9.847 -3.988 1.671 1.00 0.00 H new ATOM 0 HB THR A 21 12.193 -3.075 3.377 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.937 -5.404 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.470 -2.673 5.084 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.190 -1.698 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.210 -3.153 3.923 1.00 0.00 H new ATOM 258 N GLU A 22 9.964 -1.778 0.532 1.00 0.00 N ATOM 259 CA GLU A 22 10.035 -0.497 -0.126 1.00 0.00 C ATOM 260 C GLU A 22 9.566 0.558 0.850 1.00 0.00 C ATOM 261 O GLU A 22 8.423 0.534 1.292 1.00 0.00 O ATOM 262 CB GLU A 22 9.138 -0.493 -1.371 1.00 0.00 C ATOM 263 CG GLU A 22 9.374 0.673 -2.319 1.00 0.00 C ATOM 264 CD GLU A 22 10.432 0.369 -3.366 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.194 -0.525 -4.214 1.00 0.00 O ATOM 266 OE2 GLU A 22 11.500 1.016 -3.345 1.00 0.00 O ATOM 0 H GLU A 22 9.062 -2.249 0.465 1.00 0.00 H new ATOM 0 HA GLU A 22 11.058 -0.293 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.292 -1.424 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.096 -0.479 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.438 0.927 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.677 1.548 -1.744 1.00 0.00 H new ATOM 273 N GLU A 23 10.446 1.465 1.212 1.00 0.00 N ATOM 274 CA GLU A 23 10.058 2.536 2.096 1.00 0.00 C ATOM 275 C GLU A 23 9.751 3.770 1.279 1.00 0.00 C ATOM 276 O GLU A 23 10.638 4.407 0.708 1.00 0.00 O ATOM 277 CB GLU A 23 11.129 2.810 3.151 1.00 0.00 C ATOM 278 CG GLU A 23 10.720 3.866 4.162 1.00 0.00 C ATOM 279 CD GLU A 23 11.605 3.872 5.386 1.00 0.00 C ATOM 280 OE1 GLU A 23 11.412 3.003 6.266 1.00 0.00 O ATOM 281 OE2 GLU A 23 12.498 4.733 5.478 1.00 0.00 O ATOM 0 H GLU A 23 11.421 1.482 0.912 1.00 0.00 H new ATOM 0 HA GLU A 23 9.160 2.240 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.357 1.883 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.045 3.128 2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.753 4.848 3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.688 3.693 4.466 1.00 0.00 H new ATOM 288 N TYR A 24 8.483 4.088 1.232 1.00 0.00 N ATOM 289 CA TYR A 24 7.975 5.091 0.338 1.00 0.00 C ATOM 290 C TYR A 24 7.952 6.460 0.988 1.00 0.00 C ATOM 291 O TYR A 24 7.389 6.642 2.069 1.00 0.00 O ATOM 292 CB TYR A 24 6.576 4.686 -0.113 1.00 0.00 C ATOM 293 CG TYR A 24 6.493 4.415 -1.592 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.983 3.232 -2.125 1.00 0.00 C ATOM 295 CD2 TYR A 24 5.939 5.344 -2.455 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.923 2.984 -3.479 1.00 0.00 C ATOM 297 CE2 TYR A 24 5.870 5.106 -3.810 1.00 0.00 C ATOM 298 CZ TYR A 24 6.367 3.924 -4.320 1.00 0.00 C ATOM 299 OH TYR A 24 6.309 3.673 -5.670 1.00 0.00 O ATOM 0 H TYR A 24 7.770 3.654 1.818 1.00 0.00 H new ATOM 0 HA TYR A 24 8.637 5.160 -0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.268 3.794 0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.873 5.477 0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.419 2.493 -1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.554 6.272 -2.059 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.309 2.058 -3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.430 5.840 -4.469 1.00 0.00 H new ATOM 0 HH TYR A 24 6.373 4.518 -6.163 1.00 0.00 H new ATOM 309 N ARG A 25 8.595 7.407 0.321 1.00 0.00 N ATOM 310 CA ARG A 25 8.602 8.789 0.757 1.00 0.00 C ATOM 311 C ARG A 25 7.351 9.481 0.243 1.00 0.00 C ATOM 312 O ARG A 25 7.271 9.867 -0.924 1.00 0.00 O ATOM 313 CB ARG A 25 9.858 9.495 0.249 1.00 0.00 C ATOM 314 CG ARG A 25 11.143 8.825 0.704 1.00 0.00 C ATOM 315 CD ARG A 25 12.374 9.518 0.141 1.00 0.00 C ATOM 316 NE ARG A 25 12.398 9.509 -1.323 1.00 0.00 N ATOM 317 CZ ARG A 25 13.083 8.631 -2.051 1.00 0.00 C ATOM 318 NH1 ARG A 25 13.749 7.644 -1.456 1.00 0.00 N ATOM 319 NH2 ARG A 25 13.089 8.736 -3.375 1.00 0.00 N ATOM 0 H ARG A 25 9.124 7.237 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 25 8.609 8.829 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.836 9.524 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.852 10.529 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.189 8.831 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.139 7.781 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.402 10.548 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.270 9.026 0.520 1.00 0.00 H new ATOM 0 HE ARG A 25 11.856 10.220 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.735 7.559 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.273 6.972 -2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.570 9.487 -3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.613 8.065 -3.937 1.00 0.00 H new ATOM 333 N VAL A 26 6.370 9.593 1.112 1.00 0.00 N ATOM 334 CA VAL A 26 5.084 10.140 0.741 1.00 0.00 C ATOM 335 C VAL A 26 4.767 11.386 1.562 1.00 0.00 C ATOM 336 O VAL A 26 4.748 11.355 2.794 1.00 0.00 O ATOM 337 CB VAL A 26 3.970 9.076 0.883 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.191 8.218 2.115 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.596 9.721 0.918 1.00 0.00 C ATOM 0 H VAL A 26 6.441 9.309 2.089 1.00 0.00 H new ATOM 0 HA VAL A 26 5.130 10.435 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 26 4.016 8.430 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.394 7.478 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.152 7.709 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.186 8.849 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.834 8.948 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.536 10.403 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.431 10.276 -0.006 1.00 0.00 H new ATOM 349 N PRO A 27 4.541 12.507 0.867 1.00 0.00 N ATOM 350 CA PRO A 27 4.299 13.811 1.490 1.00 0.00 C ATOM 351 C PRO A 27 3.085 13.815 2.413 1.00 0.00 C ATOM 352 O PRO A 27 2.125 13.076 2.190 1.00 0.00 O ATOM 353 CB PRO A 27 4.071 14.742 0.294 1.00 0.00 C ATOM 354 CG PRO A 27 4.737 14.057 -0.844 1.00 0.00 C ATOM 355 CD PRO A 27 4.524 12.593 -0.599 1.00 0.00 C ATOM 0 HA PRO A 27 5.130 14.109 2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.008 14.888 0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.502 15.728 0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.305 14.364 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.799 14.300 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.578 12.246 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.311 11.988 -1.050 1.00 0.00 H new ATOM 363 N ASP A 28 3.142 14.665 3.432 1.00 0.00 N ATOM 364 CA ASP A 28 2.132 14.721 4.495 1.00 0.00 C ATOM 365 C ASP A 28 0.698 14.692 3.948 1.00 0.00 C ATOM 366 O ASP A 28 -0.081 13.788 4.264 1.00 0.00 O ATOM 367 CB ASP A 28 2.360 15.990 5.324 1.00 0.00 C ATOM 368 CG ASP A 28 1.347 16.179 6.436 1.00 0.00 C ATOM 369 OD1 ASP A 28 0.247 16.698 6.158 1.00 0.00 O ATOM 370 OD2 ASP A 28 1.658 15.848 7.601 1.00 0.00 O ATOM 0 H ASP A 28 3.895 15.343 3.549 1.00 0.00 H new ATOM 0 HA ASP A 28 2.244 13.833 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.360 15.956 5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.328 16.856 4.663 1.00 0.00 H new ATOM 375 N GLY A 29 0.354 15.667 3.117 1.00 0.00 N ATOM 376 CA GLY A 29 -0.994 15.732 2.574 1.00 0.00 C ATOM 377 C GLY A 29 -1.297 14.590 1.625 1.00 0.00 C ATOM 378 O GLY A 29 -2.456 14.193 1.454 1.00 0.00 O ATOM 0 H GLY A 29 0.979 16.412 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.713 15.719 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.125 16.679 2.050 1.00 0.00 H new ATOM 382 N MET A 30 -0.255 14.029 1.034 1.00 0.00 N ATOM 383 CA MET A 30 -0.427 13.001 0.026 1.00 0.00 C ATOM 384 C MET A 30 -0.724 11.663 0.674 1.00 0.00 C ATOM 385 O MET A 30 -1.471 10.860 0.129 1.00 0.00 O ATOM 386 CB MET A 30 0.811 12.888 -0.863 1.00 0.00 C ATOM 387 CG MET A 30 1.152 14.175 -1.596 1.00 0.00 C ATOM 388 SD MET A 30 -0.274 14.923 -2.407 1.00 0.00 S ATOM 389 CE MET A 30 -0.804 13.590 -3.477 1.00 0.00 C ATOM 0 H MET A 30 0.716 14.269 1.235 1.00 0.00 H new ATOM 0 HA MET A 30 -1.273 13.287 -0.599 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.662 12.592 -0.250 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.653 12.095 -1.593 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.576 14.888 -0.889 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.920 13.970 -2.341 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.287 14.004 -4.362 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.061 13.000 -3.779 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.509 12.953 -2.943 1.00 0.00 H new ATOM 399 N VAL A 31 -0.153 11.424 1.846 1.00 0.00 N ATOM 400 CA VAL A 31 -0.444 10.201 2.573 1.00 0.00 C ATOM 401 C VAL A 31 -1.848 10.271 3.164 1.00 0.00 C ATOM 402 O VAL A 31 -2.513 9.254 3.337 1.00 0.00 O ATOM 403 CB VAL A 31 0.598 9.896 3.672 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.553 10.931 4.781 1.00 0.00 C ATOM 405 CG2 VAL A 31 0.390 8.491 4.220 1.00 0.00 C ATOM 0 H VAL A 31 0.505 12.052 2.307 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.389 9.378 1.860 1.00 0.00 H new ATOM 0 HB VAL A 31 1.590 9.947 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.299 10.686 5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.766 11.917 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.438 10.934 5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.131 8.289 4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.610 8.411 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.500 7.766 3.414 1.00 0.00 H new ATOM 415 N GLY A 32 -2.307 11.482 3.447 1.00 0.00 N ATOM 416 CA GLY A 32 -3.691 11.661 3.833 1.00 0.00 C ATOM 417 C GLY A 32 -4.627 11.339 2.682 1.00 0.00 C ATOM 418 O GLY A 32 -5.781 10.968 2.892 1.00 0.00 O ATOM 0 H GLY A 32 -1.751 12.337 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.921 11.018 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.851 12.689 4.159 1.00 0.00 H new ATOM 422 N LEU A 33 -4.126 11.484 1.460 1.00 0.00 N ATOM 423 CA LEU A 33 -4.897 11.129 0.275 1.00 0.00 C ATOM 424 C LEU A 33 -4.717 9.656 -0.112 1.00 0.00 C ATOM 425 O LEU A 33 -5.614 9.063 -0.711 1.00 0.00 O ATOM 426 CB LEU A 33 -4.514 12.024 -0.905 1.00 0.00 C ATOM 427 CG LEU A 33 -4.815 13.512 -0.721 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.330 14.303 -1.924 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.304 13.735 -0.500 1.00 0.00 C ATOM 0 H LEU A 33 -3.192 11.844 1.265 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.947 11.283 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.448 11.907 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.039 11.671 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.282 13.864 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.552 15.360 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.254 14.170 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.836 13.947 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.497 14.800 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.859 13.367 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.624 13.198 0.393 1.00 0.00 H new ATOM 441 N ILE A 34 -3.572 9.058 0.227 1.00 0.00 N ATOM 442 CA ILE A 34 -3.325 7.653 -0.109 1.00 0.00 C ATOM 443 C ILE A 34 -4.231 6.763 0.730 1.00 0.00 C ATOM 444 O ILE A 34 -4.613 5.666 0.323 1.00 0.00 O ATOM 445 CB ILE A 34 -1.840 7.236 0.088 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.566 5.890 -0.578 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.475 7.146 1.558 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.767 5.904 -2.073 1.00 0.00 C ATOM 0 H ILE A 34 -2.811 9.517 0.727 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.548 7.529 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.227 8.008 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.541 5.588 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.220 5.137 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.430 6.852 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.625 8.117 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.108 6.404 2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.554 4.915 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.798 6.175 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.094 6.633 -2.524 1.00 0.00 H new ATOM 460 N ILE A 35 -4.582 7.261 1.908 1.00 0.00 N ATOM 461 CA ILE A 35 -5.524 6.581 2.772 1.00 0.00 C ATOM 462 C ILE A 35 -6.952 6.955 2.403 1.00 0.00 C ATOM 463 O ILE A 35 -7.902 6.288 2.821 1.00 0.00 O ATOM 464 CB ILE A 35 -5.263 6.896 4.257 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.187 8.405 4.492 1.00 0.00 C ATOM 466 CG2 ILE A 35 -3.994 6.205 4.720 1.00 0.00 C ATOM 467 CD1 ILE A 35 -4.842 8.791 5.917 1.00 0.00 C ATOM 0 H ILE A 35 -4.224 8.139 2.284 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.386 5.510 2.627 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.098 6.515 4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.441 8.830 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.145 8.852 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.818 6.434 5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.101 5.127 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.151 6.557 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.807 9.877 6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.601 8.398 6.594 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.870 8.375 6.181 1.00 0.00 H new ATOM 479 N GLY A 36 -7.083 8.029 1.619 1.00 0.00 N ATOM 480 CA GLY A 36 -8.377 8.474 1.120 1.00 0.00 C ATOM 481 C GLY A 36 -9.360 8.783 2.225 1.00 0.00 C ATOM 482 O GLY A 36 -9.382 9.889 2.767 1.00 0.00 O ATOM 0 H GLY A 36 -6.299 8.607 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.237 9.364 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.796 7.703 0.473 1.00 0.00 H new ATOM 486 N ARG A 37 -10.164 7.787 2.563 1.00 0.00 N ATOM 487 CA ARG A 37 -11.128 7.876 3.655 1.00 0.00 C ATOM 488 C ARG A 37 -10.432 7.784 5.017 1.00 0.00 C ATOM 489 O ARG A 37 -10.940 7.165 5.950 1.00 0.00 O ATOM 490 CB ARG A 37 -12.159 6.755 3.521 1.00 0.00 C ATOM 491 CG ARG A 37 -11.522 5.395 3.303 1.00 0.00 C ATOM 492 CD ARG A 37 -11.652 4.938 1.861 1.00 0.00 C ATOM 493 NE ARG A 37 -12.990 4.449 1.555 1.00 0.00 N ATOM 494 CZ ARG A 37 -13.657 4.753 0.447 1.00 0.00 C ATOM 495 NH1 ARG A 37 -13.149 5.624 -0.420 1.00 0.00 N ATOM 496 NH2 ARG A 37 -14.832 4.190 0.207 1.00 0.00 N ATOM 0 H ARG A 37 -10.168 6.886 2.085 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.627 8.843 3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.774 6.723 4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.825 6.977 2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.468 5.439 3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.992 4.663 3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.410 5.767 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.926 4.149 1.665 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.442 3.836 2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.246 6.060 -0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.663 5.856 -1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.224 3.524 0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.345 4.423 -0.643 1.00 0.00 H new ATOM 510 N GLY A 38 -9.252 8.379 5.108 1.00 0.00 N ATOM 511 CA GLY A 38 -8.542 8.460 6.366 1.00 0.00 C ATOM 512 C GLY A 38 -7.844 7.170 6.762 1.00 0.00 C ATOM 513 O GLY A 38 -7.354 7.052 7.883 1.00 0.00 O ATOM 0 H GLY A 38 -8.769 8.812 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.802 9.258 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.245 8.738 7.152 1.00 0.00 H new ATOM 517 N GLY A 39 -7.791 6.202 5.858 1.00 0.00 N ATOM 518 CA GLY A 39 -7.034 4.994 6.134 1.00 0.00 C ATOM 519 C GLY A 39 -7.620 3.761 5.480 1.00 0.00 C ATOM 520 O GLY A 39 -6.895 2.938 4.931 1.00 0.00 O ATOM 0 H GLY A 39 -8.252 6.228 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.009 5.128 5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.989 4.839 7.212 1.00 0.00 H new ATOM 524 N GLU A 40 -8.937 3.648 5.537 1.00 0.00 N ATOM 525 CA GLU A 40 -9.662 2.487 5.016 1.00 0.00 C ATOM 526 C GLU A 40 -9.285 2.145 3.565 1.00 0.00 C ATOM 527 O GLU A 40 -9.303 0.977 3.184 1.00 0.00 O ATOM 528 CB GLU A 40 -11.165 2.754 5.135 1.00 0.00 C ATOM 529 CG GLU A 40 -12.059 1.716 4.480 1.00 0.00 C ATOM 530 CD GLU A 40 -13.511 2.149 4.475 1.00 0.00 C ATOM 531 OE1 GLU A 40 -13.873 3.021 3.660 1.00 0.00 O ATOM 532 OE2 GLU A 40 -14.294 1.636 5.300 1.00 0.00 O ATOM 0 H GLU A 40 -9.542 4.360 5.947 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.380 1.618 5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.424 2.819 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.381 3.727 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.727 1.544 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.964 0.768 5.009 1.00 0.00 H new ATOM 539 N GLN A 41 -8.925 3.150 2.767 1.00 0.00 N ATOM 540 CA GLN A 41 -8.607 2.918 1.357 1.00 0.00 C ATOM 541 C GLN A 41 -7.345 2.080 1.212 1.00 0.00 C ATOM 542 O GLN A 41 -7.318 1.110 0.456 1.00 0.00 O ATOM 543 CB GLN A 41 -8.425 4.235 0.602 1.00 0.00 C ATOM 544 CG GLN A 41 -8.239 4.050 -0.895 1.00 0.00 C ATOM 545 CD GLN A 41 -7.966 5.353 -1.611 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.880 6.023 -2.086 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.700 5.727 -1.678 1.00 0.00 N ATOM 0 H GLN A 41 -8.847 4.122 3.067 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.450 2.377 0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.294 4.869 0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.560 4.761 1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.413 3.362 -1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.133 3.589 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.973 5.140 -1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.451 6.603 -2.138 1.00 0.00 H new ATOM 556 N ILE A 42 -6.296 2.452 1.936 1.00 0.00 N ATOM 557 CA ILE A 42 -5.048 1.718 1.846 1.00 0.00 C ATOM 558 C ILE A 42 -5.212 0.343 2.470 1.00 0.00 C ATOM 559 O ILE A 42 -4.686 -0.633 1.954 1.00 0.00 O ATOM 560 CB ILE A 42 -3.855 2.468 2.492 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.539 1.750 2.178 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.026 2.618 3.997 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.227 1.681 0.698 1.00 0.00 C ATOM 0 H ILE A 42 -6.287 3.243 2.580 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.811 1.617 0.787 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.828 3.469 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.724 2.262 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.582 0.738 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.168 3.149 4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.936 3.181 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.097 1.632 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.281 1.160 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.023 1.143 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.152 2.691 0.295 1.00 0.00 H new ATOM 575 N ASN A 43 -5.984 0.273 3.553 1.00 0.00 N ATOM 576 CA ASN A 43 -6.278 -0.993 4.210 1.00 0.00 C ATOM 577 C ASN A 43 -7.045 -1.909 3.266 1.00 0.00 C ATOM 578 O ASN A 43 -6.875 -3.127 3.278 1.00 0.00 O ATOM 579 CB ASN A 43 -7.081 -0.754 5.491 1.00 0.00 C ATOM 580 CG ASN A 43 -6.244 -0.142 6.602 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.031 -0.341 6.667 1.00 0.00 O ATOM 582 ND2 ASN A 43 -6.889 0.593 7.494 1.00 0.00 N ATOM 0 H ASN A 43 -6.418 1.084 3.994 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.338 -1.475 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.922 -0.096 5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.498 -1.700 5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.380 1.017 8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.895 0.735 7.406 1.00 0.00 H new ATOM 589 N LYS A 44 -7.884 -1.302 2.441 1.00 0.00 N ATOM 590 CA LYS A 44 -8.622 -2.020 1.418 1.00 0.00 C ATOM 591 C LYS A 44 -7.657 -2.644 0.414 1.00 0.00 C ATOM 592 O LYS A 44 -7.736 -3.834 0.117 1.00 0.00 O ATOM 593 CB LYS A 44 -9.567 -1.053 0.696 1.00 0.00 C ATOM 594 CG LYS A 44 -10.551 -1.728 -0.244 1.00 0.00 C ATOM 595 CD LYS A 44 -11.633 -2.465 0.526 1.00 0.00 C ATOM 596 CE LYS A 44 -12.641 -3.117 -0.405 1.00 0.00 C ATOM 597 NZ LYS A 44 -13.757 -3.743 0.349 1.00 0.00 N ATOM 0 H LYS A 44 -8.071 -0.300 2.463 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.203 -2.814 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.125 -0.484 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.972 -0.338 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.008 -0.981 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.020 -2.428 -0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.175 -3.227 1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.147 -1.768 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.039 -2.370 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.142 -3.873 -1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.426 -4.178 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.379 -4.473 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.249 -3.017 0.908 1.00 0.00 H new ATOM 611 N ILE A 45 -6.729 -1.833 -0.073 1.00 0.00 N ATOM 612 CA ILE A 45 -5.817 -2.246 -1.131 1.00 0.00 C ATOM 613 C ILE A 45 -4.741 -3.205 -0.628 1.00 0.00 C ATOM 614 O ILE A 45 -4.379 -4.161 -1.319 1.00 0.00 O ATOM 615 CB ILE A 45 -5.164 -1.026 -1.796 1.00 0.00 C ATOM 616 CG1 ILE A 45 -6.252 -0.132 -2.385 1.00 0.00 C ATOM 617 CG2 ILE A 45 -4.178 -1.458 -2.874 1.00 0.00 C ATOM 618 CD1 ILE A 45 -7.241 -0.871 -3.264 1.00 0.00 C ATOM 0 H ILE A 45 -6.587 -0.876 0.251 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.415 -2.780 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.606 -0.466 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.793 0.350 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.782 0.660 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.728 -0.576 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.397 -2.073 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.702 -2.034 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.983 -0.170 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.713 -1.331 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.739 -1.645 -2.680 1.00 0.00 H new ATOM 630 N GLN A 46 -4.230 -2.964 0.571 1.00 0.00 N ATOM 631 CA GLN A 46 -3.196 -3.825 1.129 1.00 0.00 C ATOM 632 C GLN A 46 -3.777 -5.188 1.501 1.00 0.00 C ATOM 633 O GLN A 46 -3.075 -6.198 1.486 1.00 0.00 O ATOM 634 CB GLN A 46 -2.486 -3.156 2.319 1.00 0.00 C ATOM 635 CG GLN A 46 -3.386 -2.733 3.471 1.00 0.00 C ATOM 636 CD GLN A 46 -3.438 -3.754 4.594 1.00 0.00 C ATOM 637 OE1 GLN A 46 -4.254 -4.673 4.587 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.566 -3.588 5.581 1.00 0.00 N ATOM 0 H GLN A 46 -4.510 -2.188 1.171 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.437 -3.986 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.734 -3.845 2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.956 -2.276 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.033 -1.782 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.395 -2.566 3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.904 -2.813 5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.558 -4.236 6.369 1.00 0.00 H new ATOM 647 N GLN A 47 -5.070 -5.216 1.808 1.00 0.00 N ATOM 648 CA GLN A 47 -5.769 -6.473 2.035 1.00 0.00 C ATOM 649 C GLN A 47 -6.069 -7.143 0.700 1.00 0.00 C ATOM 650 O GLN A 47 -5.892 -8.350 0.541 1.00 0.00 O ATOM 651 CB GLN A 47 -7.071 -6.237 2.806 1.00 0.00 C ATOM 652 CG GLN A 47 -7.831 -7.517 3.120 1.00 0.00 C ATOM 653 CD GLN A 47 -7.023 -8.488 3.959 1.00 0.00 C ATOM 654 OE1 GLN A 47 -6.185 -8.087 4.768 1.00 0.00 O ATOM 655 NE2 GLN A 47 -7.257 -9.777 3.768 1.00 0.00 N ATOM 0 H GLN A 47 -5.652 -4.384 1.905 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.130 -7.124 2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.843 -5.721 3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.713 -5.576 2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.752 -7.268 3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.119 -8.002 2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.959 -10.073 3.089 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.736 -10.474 4.299 1.00 0.00 H new ATOM 664 N ASP A 48 -6.519 -6.334 -0.255 1.00 0.00 N ATOM 665 CA ASP A 48 -6.826 -6.798 -1.607 1.00 0.00 C ATOM 666 C ASP A 48 -5.635 -7.507 -2.236 1.00 0.00 C ATOM 667 O ASP A 48 -5.785 -8.536 -2.894 1.00 0.00 O ATOM 668 CB ASP A 48 -7.236 -5.611 -2.483 1.00 0.00 C ATOM 669 CG ASP A 48 -7.307 -5.964 -3.958 1.00 0.00 C ATOM 670 OD1 ASP A 48 -8.374 -6.425 -4.417 1.00 0.00 O ATOM 671 OD2 ASP A 48 -6.294 -5.776 -4.673 1.00 0.00 O ATOM 0 H ASP A 48 -6.682 -5.337 -0.114 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.649 -7.510 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.208 -5.242 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.523 -4.799 -2.343 1.00 0.00 H new ATOM 676 N SER A 49 -4.456 -6.948 -2.030 1.00 0.00 N ATOM 677 CA SER A 49 -3.245 -7.496 -2.609 1.00 0.00 C ATOM 678 C SER A 49 -2.652 -8.587 -1.723 1.00 0.00 C ATOM 679 O SER A 49 -2.150 -9.598 -2.217 1.00 0.00 O ATOM 680 CB SER A 49 -2.226 -6.378 -2.824 1.00 0.00 C ATOM 681 OG SER A 49 -2.056 -5.610 -1.643 1.00 0.00 O ATOM 0 H SER A 49 -4.312 -6.112 -1.464 1.00 0.00 H new ATOM 0 HA SER A 49 -3.497 -7.947 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.270 -6.806 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.556 -5.732 -3.638 1.00 0.00 H new ATOM 0 HG SER A 49 -2.793 -4.969 -1.561 1.00 0.00 H new ATOM 687 N GLY A 50 -2.725 -8.383 -0.414 1.00 0.00 N ATOM 688 CA GLY A 50 -2.082 -9.286 0.517 1.00 0.00 C ATOM 689 C GLY A 50 -0.784 -8.702 1.031 1.00 0.00 C ATOM 690 O GLY A 50 -0.056 -9.337 1.794 1.00 0.00 O ATOM 0 H GLY A 50 -3.221 -7.604 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.751 -9.488 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.887 -10.240 0.028 1.00 0.00 H new ATOM 694 N CYS A 51 -0.503 -7.478 0.602 1.00 0.00 N ATOM 695 CA CYS A 51 0.702 -6.773 0.995 1.00 0.00 C ATOM 696 C CYS A 51 0.547 -6.172 2.388 1.00 0.00 C ATOM 697 O CYS A 51 -0.507 -5.647 2.744 1.00 0.00 O ATOM 698 CB CYS A 51 1.010 -5.672 -0.019 1.00 0.00 C ATOM 699 SG CYS A 51 2.591 -4.833 0.242 1.00 0.00 S ATOM 0 H CYS A 51 -1.106 -6.949 -0.028 1.00 0.00 H new ATOM 0 HA CYS A 51 1.528 -7.483 1.019 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.004 -6.105 -1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.211 -4.932 0.013 1.00 0.00 H new ATOM 0 HG CYS A 51 3.176 -5.327 1.293 1.00 0.00 H new ATOM 705 N LYS A 52 1.606 -6.258 3.166 1.00 0.00 N ATOM 706 CA LYS A 52 1.644 -5.685 4.497 1.00 0.00 C ATOM 707 C LYS A 52 2.068 -4.227 4.402 1.00 0.00 C ATOM 708 O LYS A 52 3.204 -3.876 4.715 1.00 0.00 O ATOM 709 CB LYS A 52 2.628 -6.465 5.377 1.00 0.00 C ATOM 710 CG LYS A 52 2.488 -7.973 5.252 1.00 0.00 C ATOM 711 CD LYS A 52 1.098 -8.442 5.636 1.00 0.00 C ATOM 712 CE LYS A 52 0.834 -9.850 5.133 1.00 0.00 C ATOM 713 NZ LYS A 52 1.788 -10.844 5.694 1.00 0.00 N ATOM 0 H LYS A 52 2.468 -6.729 2.893 1.00 0.00 H new ATOM 0 HA LYS A 52 0.653 -5.745 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.646 -6.179 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.478 -6.179 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.703 -8.275 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.225 -8.461 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.989 -8.414 6.720 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.354 -7.760 5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.184 -10.141 5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.900 -9.862 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.504 -11.801 5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.746 -10.644 5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.782 -10.783 6.732 1.00 0.00 H new ATOM 727 N VAL A 53 1.153 -3.389 3.946 1.00 0.00 N ATOM 728 CA VAL A 53 1.435 -1.975 3.781 1.00 0.00 C ATOM 729 C VAL A 53 1.292 -1.257 5.108 1.00 0.00 C ATOM 730 O VAL A 53 0.184 -1.101 5.628 1.00 0.00 O ATOM 731 CB VAL A 53 0.490 -1.327 2.753 1.00 0.00 C ATOM 732 CG1 VAL A 53 0.801 0.151 2.584 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.586 -2.044 1.422 1.00 0.00 C ATOM 0 H VAL A 53 0.207 -3.665 3.683 1.00 0.00 H new ATOM 0 HA VAL A 53 2.458 -1.885 3.417 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.530 -1.418 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.119 0.585 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.679 0.660 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.828 0.270 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.088 -1.574 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.609 -1.985 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.306 -3.090 1.551 1.00 0.00 H new ATOM 743 N GLN A 54 2.411 -0.837 5.662 1.00 0.00 N ATOM 744 CA GLN A 54 2.405 -0.180 6.950 1.00 0.00 C ATOM 745 C GLN A 54 2.620 1.316 6.785 1.00 0.00 C ATOM 746 O GLN A 54 3.695 1.761 6.374 1.00 0.00 O ATOM 747 CB GLN A 54 3.483 -0.769 7.852 1.00 0.00 C ATOM 748 CG GLN A 54 3.073 -0.839 9.312 1.00 0.00 C ATOM 749 CD GLN A 54 1.974 -1.859 9.554 1.00 0.00 C ATOM 750 OE1 GLN A 54 2.248 -3.031 9.817 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.726 -1.425 9.464 1.00 0.00 N ATOM 0 H GLN A 54 3.334 -0.939 5.240 1.00 0.00 H new ATOM 0 HA GLN A 54 1.433 -0.343 7.415 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.731 -1.771 7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.388 -0.168 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.942 -1.093 9.919 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.732 0.143 9.639 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.541 -0.446 9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.050 -2.069 9.615 1.00 0.00 H new ATOM 760 N ILE A 55 1.588 2.084 7.089 1.00 0.00 N ATOM 761 CA ILE A 55 1.681 3.533 7.057 1.00 0.00 C ATOM 762 C ILE A 55 2.368 4.020 8.327 1.00 0.00 C ATOM 763 O ILE A 55 1.734 4.122 9.373 1.00 0.00 O ATOM 764 CB ILE A 55 0.283 4.195 6.955 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.525 3.610 5.790 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.414 5.702 6.799 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.114 3.804 4.434 1.00 0.00 C ATOM 0 H ILE A 55 0.673 1.726 7.362 1.00 0.00 H new ATOM 0 HA ILE A 55 2.256 3.813 6.175 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.253 3.983 7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.669 2.543 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.514 4.068 5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.578 6.148 6.729 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.937 6.113 7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.977 5.926 5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.521 3.362 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.233 4.869 4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.091 3.321 4.420 1.00 0.00 H new ATOM 779 N SER A 56 3.665 4.288 8.240 1.00 0.00 N ATOM 780 CA SER A 56 4.434 4.741 9.391 1.00 0.00 C ATOM 781 C SER A 56 4.238 6.237 9.611 1.00 0.00 C ATOM 782 O SER A 56 4.766 7.073 8.859 1.00 0.00 O ATOM 783 CB SER A 56 5.911 4.400 9.200 1.00 0.00 C ATOM 784 OG SER A 56 6.072 3.005 9.003 1.00 0.00 O ATOM 0 H SER A 56 4.207 4.199 7.381 1.00 0.00 H new ATOM 0 HA SER A 56 4.076 4.225 10.282 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.309 4.944 8.343 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.481 4.719 10.073 1.00 0.00 H new ATOM 0 HG SER A 56 7.022 2.800 8.880 1.00 0.00 H new ATOM 790 N PRO A 57 3.468 6.579 10.661 1.00 0.00 N ATOM 791 CA PRO A 57 3.053 7.944 10.960 1.00 0.00 C ATOM 792 C PRO A 57 4.150 8.774 11.612 1.00 0.00 C ATOM 793 O PRO A 57 4.231 9.980 11.390 1.00 0.00 O ATOM 794 CB PRO A 57 1.875 7.767 11.930 1.00 0.00 C ATOM 795 CG PRO A 57 1.645 6.295 12.044 1.00 0.00 C ATOM 796 CD PRO A 57 2.929 5.642 11.647 1.00 0.00 C ATOM 0 HA PRO A 57 2.799 8.484 10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.104 8.202 12.903 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.984 8.272 11.557 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.368 6.022 13.062 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.829 5.977 11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.600 5.516 12.497 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.766 4.652 11.220 1.00 0.00 H new ATOM 804 N ASP A 58 4.988 8.136 12.422 1.00 0.00 N ATOM 805 CA ASP A 58 6.088 8.845 13.068 1.00 0.00 C ATOM 806 C ASP A 58 7.229 9.028 12.088 1.00 0.00 C ATOM 807 O ASP A 58 8.022 9.964 12.205 1.00 0.00 O ATOM 808 CB ASP A 58 6.587 8.104 14.312 1.00 0.00 C ATOM 809 CG ASP A 58 5.589 8.136 15.450 1.00 0.00 C ATOM 810 OD1 ASP A 58 4.683 7.280 15.475 1.00 0.00 O ATOM 811 OD2 ASP A 58 5.705 9.017 16.325 1.00 0.00 O ATOM 0 H ASP A 58 4.929 7.142 12.645 1.00 0.00 H new ATOM 0 HA ASP A 58 5.715 9.819 13.386 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.801 7.068 14.051 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.525 8.550 14.644 1.00 0.00 H new ATOM 816 N SER A 59 7.282 8.123 11.115 1.00 0.00 N ATOM 817 CA SER A 59 8.258 8.177 10.036 1.00 0.00 C ATOM 818 C SER A 59 9.683 8.056 10.582 1.00 0.00 C ATOM 819 O SER A 59 9.903 7.472 11.645 1.00 0.00 O ATOM 820 CB SER A 59 8.084 9.478 9.239 1.00 0.00 C ATOM 821 OG SER A 59 8.760 9.415 7.993 1.00 0.00 O ATOM 0 H SER A 59 6.645 7.329 11.054 1.00 0.00 H new ATOM 0 HA SER A 59 8.088 7.333 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.023 9.664 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.467 10.317 9.820 1.00 0.00 H new ATOM 0 HG SER A 59 8.733 8.496 7.652 1.00 0.00 H new ATOM 827 N GLY A 60 10.637 8.594 9.844 1.00 0.00 N ATOM 828 CA GLY A 60 12.029 8.500 10.225 1.00 0.00 C ATOM 829 C GLY A 60 12.936 8.795 9.055 1.00 0.00 C ATOM 830 O GLY A 60 13.027 8.001 8.119 1.00 0.00 O ATOM 0 H GLY A 60 10.469 9.101 8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.235 9.200 11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.238 7.501 10.607 1.00 0.00 H new ATOM 834 N GLY A 61 13.583 9.947 9.088 1.00 0.00 N ATOM 835 CA GLY A 61 14.426 10.351 7.984 1.00 0.00 C ATOM 836 C GLY A 61 13.691 11.265 7.032 1.00 0.00 C ATOM 837 O GLY A 61 14.280 12.175 6.449 1.00 0.00 O ATOM 0 H GLY A 61 13.540 10.611 9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.311 10.859 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.773 9.468 7.447 1.00 0.00 H new ATOM 841 N LEU A 62 12.399 11.015 6.872 1.00 0.00 N ATOM 842 CA LEU A 62 11.556 11.844 6.024 1.00 0.00 C ATOM 843 C LEU A 62 10.754 12.813 6.884 1.00 0.00 C ATOM 844 O LEU A 62 10.221 12.434 7.930 1.00 0.00 O ATOM 845 CB LEU A 62 10.592 10.991 5.176 1.00 0.00 C ATOM 846 CG LEU A 62 11.239 10.015 4.182 1.00 0.00 C ATOM 847 CD1 LEU A 62 12.521 10.592 3.599 1.00 0.00 C ATOM 848 CD2 LEU A 62 11.497 8.670 4.838 1.00 0.00 C ATOM 0 H LEU A 62 11.910 10.240 7.321 1.00 0.00 H new ATOM 0 HA LEU A 62 12.206 12.397 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.957 10.419 5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.940 11.664 4.619 1.00 0.00 H new ATOM 0 HG LEU A 62 10.540 9.863 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.956 9.878 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.297 11.522 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.230 10.789 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.955 7.995 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.167 8.802 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.554 8.246 5.183 1.00 0.00 H new ATOM 860 N PRO A 63 10.655 14.078 6.455 1.00 0.00 N ATOM 861 CA PRO A 63 9.891 15.101 7.174 1.00 0.00 C ATOM 862 C PRO A 63 8.396 15.004 6.884 1.00 0.00 C ATOM 863 O PRO A 63 7.596 15.802 7.370 1.00 0.00 O ATOM 864 CB PRO A 63 10.458 16.397 6.610 1.00 0.00 C ATOM 865 CG PRO A 63 10.817 16.053 5.205 1.00 0.00 C ATOM 866 CD PRO A 63 11.295 14.625 5.240 1.00 0.00 C ATOM 0 HA PRO A 63 9.980 15.009 8.256 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.725 17.203 6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.329 16.730 7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.957 16.161 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.595 16.716 4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.993 14.078 4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.382 14.567 5.298 1.00 0.00 H new ATOM 874 N GLU A 64 8.037 14.021 6.080 1.00 0.00 N ATOM 875 CA GLU A 64 6.660 13.806 5.691 1.00 0.00 C ATOM 876 C GLU A 64 6.122 12.524 6.317 1.00 0.00 C ATOM 877 O GLU A 64 6.030 12.418 7.540 1.00 0.00 O ATOM 878 CB GLU A 64 6.565 13.777 4.162 1.00 0.00 C ATOM 879 CG GLU A 64 7.740 13.077 3.487 1.00 0.00 C ATOM 880 CD GLU A 64 7.790 13.349 1.999 1.00 0.00 C ATOM 881 OE1 GLU A 64 7.460 14.485 1.595 1.00 0.00 O ATOM 882 OE2 GLU A 64 8.177 12.448 1.234 1.00 0.00 O ATOM 0 H GLU A 64 8.693 13.350 5.679 1.00 0.00 H new ATOM 0 HA GLU A 64 6.042 14.625 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.641 13.276 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.502 14.800 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.671 13.409 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.666 12.003 3.656 1.00 0.00 H new ATOM 889 N ARG A 65 5.793 11.547 5.497 1.00 0.00 N ATOM 890 CA ARG A 65 5.328 10.269 5.989 1.00 0.00 C ATOM 891 C ARG A 65 6.118 9.166 5.306 1.00 0.00 C ATOM 892 O ARG A 65 6.652 9.373 4.217 1.00 0.00 O ATOM 893 CB ARG A 65 3.833 10.107 5.704 1.00 0.00 C ATOM 894 CG ARG A 65 3.166 9.043 6.553 1.00 0.00 C ATOM 895 CD ARG A 65 3.093 9.471 8.003 1.00 0.00 C ATOM 896 NE ARG A 65 2.109 10.531 8.218 1.00 0.00 N ATOM 897 CZ ARG A 65 2.369 11.700 8.803 1.00 0.00 C ATOM 898 NH1 ARG A 65 3.594 11.988 9.226 1.00 0.00 N ATOM 899 NH2 ARG A 65 1.397 12.584 8.964 1.00 0.00 N ATOM 0 H ARG A 65 5.840 11.616 4.480 1.00 0.00 H new ATOM 0 HA ARG A 65 5.477 10.212 7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.334 11.061 5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.697 9.858 4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.162 8.849 6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.722 8.109 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.838 8.610 8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.074 9.817 8.327 1.00 0.00 H new ATOM 0 HE ARG A 65 1.155 10.364 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.348 11.311 9.105 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.782 12.886 9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.454 12.369 8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.591 13.480 9.411 1.00 0.00 H new ATOM 913 N SER A 66 6.216 8.005 5.931 1.00 0.00 N ATOM 914 CA SER A 66 6.918 6.905 5.306 1.00 0.00 C ATOM 915 C SER A 66 6.073 5.645 5.361 1.00 0.00 C ATOM 916 O SER A 66 5.529 5.293 6.401 1.00 0.00 O ATOM 917 CB SER A 66 8.293 6.702 5.953 1.00 0.00 C ATOM 918 OG SER A 66 8.198 6.574 7.364 1.00 0.00 O ATOM 0 H SER A 66 5.826 7.805 6.852 1.00 0.00 H new ATOM 0 HA SER A 66 7.089 7.143 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.762 5.810 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.938 7.545 5.707 1.00 0.00 H new ATOM 0 HG SER A 66 9.098 6.541 7.751 1.00 0.00 H new ATOM 924 N VAL A 67 5.919 5.001 4.223 1.00 0.00 N ATOM 925 CA VAL A 67 5.121 3.791 4.137 1.00 0.00 C ATOM 926 C VAL A 67 6.003 2.608 3.788 1.00 0.00 C ATOM 927 O VAL A 67 6.797 2.684 2.857 1.00 0.00 O ATOM 928 CB VAL A 67 4.014 3.929 3.070 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.177 2.663 2.984 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.134 5.134 3.365 1.00 0.00 C ATOM 0 H VAL A 67 6.337 5.295 3.340 1.00 0.00 H new ATOM 0 HA VAL A 67 4.654 3.630 5.109 1.00 0.00 H new ATOM 0 HB VAL A 67 4.495 4.081 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.405 2.788 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.816 1.822 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.709 2.470 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.360 5.215 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.668 5.014 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.742 6.038 3.361 1.00 0.00 H new ATOM 940 N SER A 68 5.881 1.521 4.523 1.00 0.00 N ATOM 941 CA SER A 68 6.650 0.342 4.200 1.00 0.00 C ATOM 942 C SER A 68 5.824 -0.643 3.396 1.00 0.00 C ATOM 943 O SER A 68 4.696 -0.990 3.760 1.00 0.00 O ATOM 944 CB SER A 68 7.201 -0.335 5.445 1.00 0.00 C ATOM 945 OG SER A 68 6.290 -0.252 6.529 1.00 0.00 O ATOM 0 H SER A 68 5.268 1.431 5.333 1.00 0.00 H new ATOM 0 HA SER A 68 7.495 0.671 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.414 -1.381 5.227 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.146 0.131 5.726 1.00 0.00 H new ATOM 0 HG SER A 68 6.673 -0.698 7.313 1.00 0.00 H new ATOM 951 N LEU A 69 6.392 -1.054 2.285 1.00 0.00 N ATOM 952 CA LEU A 69 5.767 -2.001 1.394 1.00 0.00 C ATOM 953 C LEU A 69 6.471 -3.357 1.462 1.00 0.00 C ATOM 954 O LEU A 69 7.633 -3.480 1.071 1.00 0.00 O ATOM 955 CB LEU A 69 5.834 -1.474 -0.037 1.00 0.00 C ATOM 956 CG LEU A 69 4.979 -0.239 -0.369 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.513 -0.498 -0.065 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.463 0.999 0.367 1.00 0.00 C ATOM 0 H LEU A 69 7.310 -0.736 1.973 1.00 0.00 H new ATOM 0 HA LEU A 69 4.728 -2.128 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.874 -1.236 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.539 -2.280 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 69 5.086 -0.051 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.929 0.390 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.161 -1.339 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.396 -0.731 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.832 1.848 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.411 0.827 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.494 1.211 0.083 1.00 0.00 H new ATOM 970 N THR A 70 5.781 -4.359 1.987 1.00 0.00 N ATOM 971 CA THR A 70 6.282 -5.733 1.996 1.00 0.00 C ATOM 972 C THR A 70 5.100 -6.699 1.963 1.00 0.00 C ATOM 973 O THR A 70 4.008 -6.322 2.356 1.00 0.00 O ATOM 974 CB THR A 70 7.133 -6.013 3.253 1.00 0.00 C ATOM 975 OG1 THR A 70 7.923 -4.869 3.576 1.00 0.00 O ATOM 976 CG2 THR A 70 8.050 -7.194 3.018 1.00 0.00 C ATOM 0 H THR A 70 4.863 -4.248 2.417 1.00 0.00 H new ATOM 0 HA THR A 70 6.913 -5.873 1.118 1.00 0.00 H new ATOM 0 HB THR A 70 6.458 -6.238 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.571 -5.105 4.272 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.643 -7.378 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.454 -8.078 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.714 -6.978 2.181 1.00 0.00 H new ATOM 984 N GLY A 71 5.288 -7.924 1.478 1.00 0.00 N ATOM 985 CA GLY A 71 4.192 -8.883 1.492 1.00 0.00 C ATOM 986 C GLY A 71 4.410 -10.058 0.563 1.00 0.00 C ATOM 987 O GLY A 71 4.636 -11.179 1.012 1.00 0.00 O ATOM 0 H GLY A 71 6.163 -8.267 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.056 -9.253 2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.270 -8.374 1.212 1.00 0.00 H new ATOM 991 N ALA A 72 4.326 -9.804 -0.733 1.00 0.00 N ATOM 992 CA ALA A 72 4.487 -10.847 -1.736 1.00 0.00 C ATOM 993 C ALA A 72 4.814 -10.210 -3.079 1.00 0.00 C ATOM 994 O ALA A 72 4.577 -9.018 -3.249 1.00 0.00 O ATOM 995 CB ALA A 72 3.223 -11.694 -1.830 1.00 0.00 C ATOM 0 H ALA A 72 4.146 -8.877 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 72 5.308 -11.503 -1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.360 -12.469 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.024 -12.158 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.381 -11.061 -2.109 1.00 0.00 H new ATOM 1001 N PRO A 73 5.368 -10.968 -4.044 1.00 0.00 N ATOM 1002 CA PRO A 73 5.762 -10.413 -5.350 1.00 0.00 C ATOM 1003 C PRO A 73 4.630 -9.641 -6.024 1.00 0.00 C ATOM 1004 O PRO A 73 4.791 -8.475 -6.394 1.00 0.00 O ATOM 1005 CB PRO A 73 6.133 -11.651 -6.169 1.00 0.00 C ATOM 1006 CG PRO A 73 6.518 -12.677 -5.158 1.00 0.00 C ATOM 1007 CD PRO A 73 5.666 -12.412 -3.947 1.00 0.00 C ATOM 0 HA PRO A 73 6.574 -9.692 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.293 -11.990 -6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.956 -11.441 -6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.349 -13.683 -5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.577 -12.603 -4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.756 -13.011 -3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.194 -12.652 -3.024 1.00 0.00 H new ATOM 1015 N GLU A 74 3.482 -10.294 -6.161 1.00 0.00 N ATOM 1016 CA GLU A 74 2.313 -9.680 -6.778 1.00 0.00 C ATOM 1017 C GLU A 74 1.717 -8.614 -5.863 1.00 0.00 C ATOM 1018 O GLU A 74 1.265 -7.558 -6.317 1.00 0.00 O ATOM 1019 CB GLU A 74 1.259 -10.750 -7.063 1.00 0.00 C ATOM 1020 CG GLU A 74 0.058 -10.241 -7.840 1.00 0.00 C ATOM 1021 CD GLU A 74 0.365 -10.025 -9.303 1.00 0.00 C ATOM 1022 OE1 GLU A 74 1.000 -9.003 -9.644 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -0.019 -10.885 -10.123 1.00 0.00 O ATOM 0 H GLU A 74 3.336 -11.255 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 74 2.623 -9.209 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.723 -11.563 -7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.916 -11.169 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.761 -10.954 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.284 -9.303 -7.401 1.00 0.00 H new ATOM 1030 N SER A 75 1.744 -8.892 -4.570 1.00 0.00 N ATOM 1031 CA SER A 75 1.056 -8.069 -3.593 1.00 0.00 C ATOM 1032 C SER A 75 1.766 -6.740 -3.381 1.00 0.00 C ATOM 1033 O SER A 75 1.132 -5.685 -3.339 1.00 0.00 O ATOM 1034 CB SER A 75 0.959 -8.830 -2.277 1.00 0.00 C ATOM 1035 OG SER A 75 0.440 -10.130 -2.491 1.00 0.00 O ATOM 0 H SER A 75 2.240 -9.689 -4.171 1.00 0.00 H new ATOM 0 HA SER A 75 0.057 -7.849 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.944 -8.897 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.318 -8.286 -1.583 1.00 0.00 H new ATOM 0 HG SER A 75 -0.527 -10.075 -2.643 1.00 0.00 H new ATOM 1041 N VAL A 76 3.085 -6.791 -3.278 1.00 0.00 N ATOM 1042 CA VAL A 76 3.867 -5.609 -2.959 1.00 0.00 C ATOM 1043 C VAL A 76 3.866 -4.626 -4.125 1.00 0.00 C ATOM 1044 O VAL A 76 4.039 -3.423 -3.937 1.00 0.00 O ATOM 1045 CB VAL A 76 5.314 -5.981 -2.564 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.200 -6.210 -3.783 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.895 -4.927 -1.639 1.00 0.00 C ATOM 0 H VAL A 76 3.636 -7.639 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 76 3.399 -5.126 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 76 5.281 -6.928 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.207 -6.469 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.792 -7.024 -4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.235 -5.301 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.915 -5.202 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.902 -3.962 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.287 -4.859 -0.737 1.00 0.00 H new ATOM 1057 N GLN A 77 3.638 -5.137 -5.326 1.00 0.00 N ATOM 1058 CA GLN A 77 3.613 -4.295 -6.504 1.00 0.00 C ATOM 1059 C GLN A 77 2.249 -3.623 -6.643 1.00 0.00 C ATOM 1060 O GLN A 77 2.162 -2.474 -7.057 1.00 0.00 O ATOM 1061 CB GLN A 77 3.954 -5.107 -7.755 1.00 0.00 C ATOM 1062 CG GLN A 77 4.278 -4.244 -8.964 1.00 0.00 C ATOM 1063 CD GLN A 77 5.402 -3.260 -8.690 1.00 0.00 C ATOM 1064 OE1 GLN A 77 6.293 -3.516 -7.878 1.00 0.00 O ATOM 1065 NE2 GLN A 77 5.375 -2.126 -9.369 1.00 0.00 N ATOM 0 H GLN A 77 3.469 -6.127 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 77 4.369 -3.517 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.806 -5.752 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.114 -5.758 -7.997 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.556 -4.885 -9.800 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.385 -3.696 -9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.622 -1.947 -10.033 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.107 -1.430 -9.228 1.00 0.00 H new ATOM 1074 N LYS A 78 1.190 -4.345 -6.275 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.164 -3.787 -6.280 1.00 0.00 C ATOM 1076 C LYS A 78 -0.254 -2.654 -5.262 1.00 0.00 C ATOM 1077 O LYS A 78 -0.778 -1.566 -5.543 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.186 -4.881 -5.942 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.637 -4.406 -5.923 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.103 -3.978 -7.305 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.562 -3.549 -7.311 1.00 0.00 C ATOM 1082 NZ LYS A 78 -5.487 -4.683 -7.029 1.00 0.00 N ATOM 0 H LYS A 78 1.243 -5.317 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.387 -3.396 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.090 -5.688 -6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.941 -5.301 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.278 -5.207 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.738 -3.571 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.482 -3.154 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.965 -4.802 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.711 -2.767 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.807 -3.116 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.429 -4.466 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.122 -5.548 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.556 -4.827 -6.001 1.00 0.00 H new ATOM 1096 N ALA A 79 0.281 -2.924 -4.081 1.00 0.00 N ATOM 1097 CA ALA A 79 0.359 -1.930 -3.026 1.00 0.00 C ATOM 1098 C ALA A 79 1.087 -0.689 -3.523 1.00 0.00 C ATOM 1099 O ALA A 79 0.613 0.438 -3.363 1.00 0.00 O ATOM 1100 CB ALA A 79 1.078 -2.517 -1.829 1.00 0.00 C ATOM 0 H ALA A 79 0.670 -3.833 -3.830 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.650 -1.642 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.136 -1.770 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.531 -3.388 -1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.085 -2.816 -2.120 1.00 0.00 H new ATOM 1106 N LYS A 80 2.232 -0.912 -4.154 1.00 0.00 N ATOM 1107 CA LYS A 80 3.032 0.175 -4.690 1.00 0.00 C ATOM 1108 C LYS A 80 2.357 0.848 -5.878 1.00 0.00 C ATOM 1109 O LYS A 80 2.685 1.978 -6.208 1.00 0.00 O ATOM 1110 CB LYS A 80 4.429 -0.306 -5.072 1.00 0.00 C ATOM 1111 CG LYS A 80 5.321 -0.562 -3.869 1.00 0.00 C ATOM 1112 CD LYS A 80 6.771 -0.709 -4.278 1.00 0.00 C ATOM 1113 CE LYS A 80 7.027 -2.010 -5.010 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.381 -2.028 -5.620 1.00 0.00 N ATOM 0 H LYS A 80 2.627 -1.840 -4.306 1.00 0.00 H new ATOM 0 HA LYS A 80 3.126 0.919 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.344 -1.223 -5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.900 0.438 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.223 0.260 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.993 -1.466 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.054 0.128 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.404 -0.661 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.927 -2.845 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.274 -2.147 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.815 -2.962 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.305 -1.837 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.972 -1.298 -5.174 1.00 0.00 H new ATOM 1128 N MET A 81 1.434 0.155 -6.534 1.00 0.00 N ATOM 1129 CA MET A 81 0.657 0.772 -7.604 1.00 0.00 C ATOM 1130 C MET A 81 -0.106 1.971 -7.068 1.00 0.00 C ATOM 1131 O MET A 81 -0.084 3.051 -7.660 1.00 0.00 O ATOM 1132 CB MET A 81 -0.324 -0.219 -8.238 1.00 0.00 C ATOM 1133 CG MET A 81 0.314 -1.241 -9.171 1.00 0.00 C ATOM 1134 SD MET A 81 0.989 -0.511 -10.684 1.00 0.00 S ATOM 1135 CE MET A 81 2.529 0.206 -10.100 1.00 0.00 C ATOM 0 H MET A 81 1.206 -0.822 -6.348 1.00 0.00 H new ATOM 0 HA MET A 81 1.357 1.094 -8.375 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.847 -0.750 -7.443 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.075 0.341 -8.795 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.112 -1.759 -8.639 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.430 -1.991 -9.439 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.319 0.012 -10.826 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.406 1.282 -9.977 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.798 -0.240 -9.143 1.00 0.00 H new ATOM 1145 N MET A 82 -0.774 1.783 -5.935 1.00 0.00 N ATOM 1146 CA MET A 82 -1.488 2.890 -5.298 1.00 0.00 C ATOM 1147 C MET A 82 -0.512 3.936 -4.774 1.00 0.00 C ATOM 1148 O MET A 82 -0.697 5.133 -4.985 1.00 0.00 O ATOM 1149 CB MET A 82 -2.373 2.401 -4.149 1.00 0.00 C ATOM 1150 CG MET A 82 -3.576 1.592 -4.596 1.00 0.00 C ATOM 1151 SD MET A 82 -4.593 2.457 -5.811 1.00 0.00 S ATOM 1152 CE MET A 82 -5.129 3.879 -4.863 1.00 0.00 C ATOM 0 H MET A 82 -0.838 0.892 -5.443 1.00 0.00 H new ATOM 0 HA MET A 82 -2.124 3.340 -6.060 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.771 1.794 -3.474 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.720 3.263 -3.579 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.235 0.648 -5.021 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.186 1.348 -3.727 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.927 4.393 -5.398 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.497 3.551 -3.891 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.290 4.560 -4.722 1.00 0.00 H new ATOM 1162 N LEU A 83 0.535 3.470 -4.102 1.00 0.00 N ATOM 1163 CA LEU A 83 1.524 4.352 -3.491 1.00 0.00 C ATOM 1164 C LEU A 83 2.191 5.244 -4.528 1.00 0.00 C ATOM 1165 O LEU A 83 2.187 6.467 -4.397 1.00 0.00 O ATOM 1166 CB LEU A 83 2.591 3.535 -2.742 1.00 0.00 C ATOM 1167 CG LEU A 83 2.341 3.315 -1.242 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.283 4.645 -0.508 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.063 2.527 -1.013 1.00 0.00 C ATOM 0 H LEU A 83 0.722 2.477 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 83 0.998 4.989 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.677 2.560 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.552 4.035 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 83 3.174 2.735 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.105 4.468 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.229 5.172 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.473 5.250 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.910 2.385 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.218 3.074 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.143 1.555 -1.500 1.00 0.00 H new ATOM 1181 N ASP A 84 2.739 4.630 -5.566 1.00 0.00 N ATOM 1182 CA ASP A 84 3.479 5.359 -6.587 1.00 0.00 C ATOM 1183 C ASP A 84 2.573 6.345 -7.296 1.00 0.00 C ATOM 1184 O ASP A 84 2.998 7.435 -7.648 1.00 0.00 O ATOM 1185 CB ASP A 84 4.097 4.396 -7.602 1.00 0.00 C ATOM 1186 CG ASP A 84 5.129 5.069 -8.488 1.00 0.00 C ATOM 1187 OD1 ASP A 84 6.259 5.315 -8.007 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.827 5.328 -9.673 1.00 0.00 O ATOM 0 H ASP A 84 2.685 3.624 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 84 4.282 5.907 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.564 3.565 -7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.308 3.974 -8.225 1.00 0.00 H new ATOM 1193 N ASP A 85 1.315 5.964 -7.473 1.00 0.00 N ATOM 1194 CA ASP A 85 0.332 6.836 -8.105 1.00 0.00 C ATOM 1195 C ASP A 85 0.252 8.180 -7.379 1.00 0.00 C ATOM 1196 O ASP A 85 0.412 9.243 -7.985 1.00 0.00 O ATOM 1197 CB ASP A 85 -1.042 6.157 -8.114 1.00 0.00 C ATOM 1198 CG ASP A 85 -2.125 7.002 -8.771 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.585 7.981 -8.150 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.536 6.674 -9.906 1.00 0.00 O ATOM 0 H ASP A 85 0.950 5.055 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 85 0.645 7.021 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.966 5.204 -8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.336 5.934 -7.089 1.00 0.00 H new ATOM 1205 N ILE A 86 0.039 8.127 -6.072 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.116 9.339 -5.276 1.00 0.00 C ATOM 1207 C ILE A 86 1.226 10.016 -5.015 1.00 0.00 C ATOM 1208 O ILE A 86 1.336 11.243 -5.065 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.849 9.056 -3.939 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.359 8.978 -4.174 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.534 10.111 -2.889 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.803 7.734 -4.912 1.00 0.00 C ATOM 0 H ILE A 86 -0.031 7.260 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.732 10.023 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.492 8.098 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.869 9.018 -3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.674 9.855 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.066 9.877 -1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.539 10.123 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.848 11.090 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.885 7.753 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.323 7.700 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.521 6.851 -4.339 1.00 0.00 H new ATOM 1224 N VAL A 87 2.249 9.223 -4.758 1.00 0.00 N ATOM 1225 CA VAL A 87 3.570 9.767 -4.496 1.00 0.00 C ATOM 1226 C VAL A 87 4.129 10.462 -5.738 1.00 0.00 C ATOM 1227 O VAL A 87 4.848 11.453 -5.637 1.00 0.00 O ATOM 1228 CB VAL A 87 4.542 8.670 -4.010 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.963 9.208 -3.913 1.00 0.00 C ATOM 1230 CG2 VAL A 87 4.103 8.140 -2.657 1.00 0.00 C ATOM 0 H VAL A 87 2.193 8.205 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 87 3.470 10.506 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 87 4.525 7.858 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.629 8.417 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.288 9.555 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.990 10.038 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.797 7.367 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.095 8.954 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.102 7.717 -2.739 1.00 0.00 H new ATOM 1240 N SER A 88 3.765 9.964 -6.910 1.00 0.00 N ATOM 1241 CA SER A 88 4.230 10.544 -8.160 1.00 0.00 C ATOM 1242 C SER A 88 3.447 11.815 -8.490 1.00 0.00 C ATOM 1243 O SER A 88 3.991 12.752 -9.071 1.00 0.00 O ATOM 1244 CB SER A 88 4.103 9.525 -9.296 1.00 0.00 C ATOM 1245 OG SER A 88 4.762 9.960 -10.475 1.00 0.00 O ATOM 0 H SER A 88 3.149 9.159 -7.021 1.00 0.00 H new ATOM 0 HA SER A 88 5.281 10.811 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.523 8.571 -8.976 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.049 9.352 -9.512 1.00 0.00 H new ATOM 0 HG SER A 88 4.660 9.283 -11.176 1.00 0.00 H new ATOM 1251 N ARG A 89 2.175 11.857 -8.106 1.00 0.00 N ATOM 1252 CA ARG A 89 1.372 13.054 -8.336 1.00 0.00 C ATOM 1253 C ARG A 89 1.776 14.150 -7.347 1.00 0.00 C ATOM 1254 O ARG A 89 1.456 15.322 -7.536 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.132 12.757 -8.227 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.639 12.615 -6.803 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.155 12.564 -6.746 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.685 11.265 -7.152 1.00 0.00 N ATOM 1259 CZ ARG A 89 -3.972 10.937 -7.078 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -4.868 11.827 -6.657 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.365 9.725 -7.433 1.00 0.00 N ATOM 0 H ARG A 89 1.685 11.092 -7.643 1.00 0.00 H new ATOM 0 HA ARG A 89 1.563 13.399 -9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.685 13.557 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.349 11.838 -8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.228 11.708 -6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.281 13.453 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.485 12.787 -5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.566 13.339 -7.393 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.031 10.570 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.569 12.765 -6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.854 11.571 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.682 9.043 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.351 9.472 -7.377 1.00 0.00 H new ATOM 1275 N GLY A 90 2.481 13.751 -6.290 1.00 0.00 N ATOM 1276 CA GLY A 90 2.968 14.702 -5.310 1.00 0.00 C ATOM 1277 C GLY A 90 4.430 15.045 -5.517 1.00 0.00 C ATOM 1278 O GLY A 90 4.758 16.130 -5.985 1.00 0.00 O ATOM 0 H GLY A 90 2.723 12.779 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.372 15.613 -5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.832 14.291 -4.310 1.00 0.00 H new ATOM 1282 N ARG A 91 5.310 14.111 -5.171 1.00 0.00 N ATOM 1283 CA ARG A 91 6.754 14.314 -5.307 1.00 0.00 C ATOM 1284 C ARG A 91 7.195 14.164 -6.756 1.00 0.00 C ATOM 1285 O ARG A 91 8.087 14.870 -7.222 1.00 0.00 O ATOM 1286 CB ARG A 91 7.525 13.311 -4.441 1.00 0.00 C ATOM 1287 CG ARG A 91 7.494 13.620 -2.956 1.00 0.00 C ATOM 1288 CD ARG A 91 8.215 14.924 -2.645 1.00 0.00 C ATOM 1289 NE ARG A 91 8.317 15.170 -1.205 1.00 0.00 N ATOM 1290 CZ ARG A 91 8.982 16.192 -0.667 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.594 17.081 -1.439 1.00 0.00 N ATOM 1292 NH2 ARG A 91 9.020 16.327 0.647 1.00 0.00 N ATOM 0 H ARG A 91 5.050 13.200 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 91 6.974 15.328 -4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.112 12.315 -4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.563 13.283 -4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.460 13.685 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.960 12.804 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.215 14.897 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.685 15.752 -3.117 1.00 0.00 H new ATOM 0 HE ARG A 91 7.850 14.518 -0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.558 16.986 -2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.100 17.860 -1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.542 15.651 1.243 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.527 17.107 1.065 1.00 0.00 H new