USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=20 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 21 THR OG1 : rot -76:sc= 1.01 USER MOD Set 1.2: A 70 THR OG1 : rot -5:sc= 1.02 USER MOD Set 2.1: A 59 SER OG : rot 20:sc= -2.03! USER MOD Set 2.2: A 66 SER OG : rot 140:sc= -2.24! USER MOD Set 3.1: A 43 ASN : amide:sc= 0 K(o=-0.0082,f=-0.56) USER MOD Set 3.2: A 46 GLN : amide:sc=-0.00818 K(o=-0.0082,f=-2.4!) USER MOD Single : A 7 SER OG : rot 28:sc= 0.123 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 18 THR OG1 : rot -17:sc= -1.21! USER MOD Single : A 19 SER OG : rot -163:sc= -0.284! USER MOD Single : A 20 MET CE :methyl 163:sc= -0.0963 (180deg=-0.489) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -144:sc= -3.3 (180deg=-5.58!) USER MOD Single : A 41 GLN : amide:sc= -1.66 K(o=-1.7,f=-5.1!) USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= 1.16 (180deg=0.671) USER MOD Single : A 47 GLN : amide:sc= -0.718 K(o=-0.72,f=-1.9) USER MOD Single : A 49 SER OG : rot -83:sc= 1.16 USER MOD Single : A 51 CYS SG : rot -2:sc= -1.57! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.75! K(o=-1.7!,f=-0.65) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 68 SER OG : rot -21:sc= 1.22 USER MOD Single : A 75 SER OG : rot -84:sc= -0.53! USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 78 LYS NZ :NH3+ 138:sc= -0.773! (180deg=-1.99!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -156:sc= -0.162 (180deg=-0.738) USER MOD Single : A 82 MET CE :methyl -142:sc= -0.0524 (180deg=-2.21!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.032 5.169 -0.786 1.00 0.00 N ATOM 32 CA SER A 7 12.651 3.801 -1.120 1.00 0.00 C ATOM 33 C SER A 7 13.466 2.836 -0.258 1.00 0.00 C ATOM 34 O SER A 7 13.742 3.152 0.897 1.00 0.00 O ATOM 35 CB SER A 7 12.849 3.557 -2.618 1.00 0.00 C ATOM 36 OG SER A 7 12.103 4.501 -3.375 1.00 0.00 O ATOM 0 HA SER A 7 11.595 3.633 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.907 3.634 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.534 2.545 -2.873 1.00 0.00 H new ATOM 0 HG SER A 7 11.999 5.326 -2.857 1.00 0.00 H new ATOM 42 N GLN A 8 13.806 1.656 -0.767 1.00 0.00 N ATOM 43 CA GLN A 8 14.677 0.737 -0.032 1.00 0.00 C ATOM 44 C GLN A 8 14.996 -0.491 -0.896 1.00 0.00 C ATOM 45 O GLN A 8 15.150 -0.371 -2.111 1.00 0.00 O ATOM 46 CB GLN A 8 14.018 0.328 1.299 1.00 0.00 C ATOM 47 CG GLN A 8 14.981 -0.251 2.329 1.00 0.00 C ATOM 48 CD GLN A 8 14.273 -0.751 3.574 1.00 0.00 C ATOM 49 OE1 GLN A 8 13.225 -0.233 3.958 1.00 0.00 O ATOM 50 NE2 GLN A 8 14.841 -1.760 4.214 1.00 0.00 N ATOM 0 H GLN A 8 13.497 1.313 -1.677 1.00 0.00 H new ATOM 0 HA GLN A 8 15.615 1.241 0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.527 1.200 1.730 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.240 -0.407 1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.539 -1.072 1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.708 0.511 2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.710 -2.162 3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.410 -2.136 5.058 1.00 0.00 H new ATOM 59 N LEU A 9 15.084 -1.660 -0.273 1.00 0.00 N ATOM 60 CA LEU A 9 15.475 -2.881 -0.965 1.00 0.00 C ATOM 61 C LEU A 9 15.184 -4.098 -0.094 1.00 0.00 C ATOM 62 O LEU A 9 14.382 -4.945 -0.457 1.00 0.00 O ATOM 63 CB LEU A 9 16.959 -2.859 -1.402 1.00 0.00 C ATOM 64 CG LEU A 9 18.017 -2.783 -0.288 1.00 0.00 C ATOM 65 CD1 LEU A 9 19.377 -3.205 -0.823 1.00 0.00 C ATOM 66 CD2 LEU A 9 18.104 -1.380 0.297 1.00 0.00 C ATOM 0 H LEU A 9 14.888 -1.788 0.720 1.00 0.00 H new ATOM 0 HA LEU A 9 14.879 -2.945 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 9 17.152 -3.756 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 9 17.104 -2.006 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 9 17.715 -3.466 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 9 20.116 -3.146 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 9 19.321 -4.229 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 9 19.669 -2.542 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.860 -1.359 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.376 -0.675 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.138 -1.100 0.717 1.00 0.00 H new ATOM 78 N GLY A 10 15.810 -4.171 1.071 1.00 0.00 N ATOM 79 CA GLY A 10 15.561 -5.285 1.962 1.00 0.00 C ATOM 80 C GLY A 10 16.815 -6.086 2.252 1.00 0.00 C ATOM 81 O GLY A 10 17.716 -6.159 1.416 1.00 0.00 O ATOM 0 H GLY A 10 16.481 -3.484 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.147 -4.912 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.810 -5.939 1.520 1.00 0.00 H new ATOM 85 N PRO A 11 16.906 -6.683 3.447 1.00 0.00 N ATOM 86 CA PRO A 11 18.065 -7.472 3.860 1.00 0.00 C ATOM 87 C PRO A 11 18.063 -8.894 3.294 1.00 0.00 C ATOM 88 O PRO A 11 19.047 -9.334 2.692 1.00 0.00 O ATOM 89 CB PRO A 11 17.949 -7.512 5.395 1.00 0.00 C ATOM 90 CG PRO A 11 16.756 -6.677 5.747 1.00 0.00 C ATOM 91 CD PRO A 11 15.907 -6.609 4.514 1.00 0.00 C ATOM 0 HA PRO A 11 18.991 -7.030 3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.826 -8.535 5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 11 18.851 -7.119 5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.203 -7.120 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.060 -5.680 6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.195 -7.433 4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.329 -5.686 4.468 1.00 0.00 H new ATOM 99 N ILE A 12 16.961 -9.605 3.485 1.00 0.00 N ATOM 100 CA ILE A 12 16.881 -11.012 3.109 1.00 0.00 C ATOM 101 C ILE A 12 16.302 -11.148 1.698 1.00 0.00 C ATOM 102 O ILE A 12 15.251 -10.589 1.395 1.00 0.00 O ATOM 103 CB ILE A 12 16.026 -11.812 4.120 1.00 0.00 C ATOM 104 CG1 ILE A 12 16.152 -11.201 5.521 1.00 0.00 C ATOM 105 CG2 ILE A 12 16.468 -13.268 4.151 1.00 0.00 C ATOM 106 CD1 ILE A 12 15.266 -11.863 6.556 1.00 0.00 C ATOM 0 H ILE A 12 16.107 -9.231 3.899 1.00 0.00 H new ATOM 0 HA ILE A 12 17.890 -11.425 3.121 1.00 0.00 H new ATOM 0 HB ILE A 12 14.984 -11.766 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 12 17.190 -11.271 5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.905 -10.141 5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 12 15.857 -13.818 4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 12 16.348 -13.706 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.515 -13.324 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.409 -11.378 7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 12 14.223 -11.770 6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 12 15.528 -12.918 6.638 1.00 0.00 H new ATOM 118 N HIS A 13 16.999 -11.894 0.845 1.00 0.00 N ATOM 119 CA HIS A 13 16.706 -11.929 -0.597 1.00 0.00 C ATOM 120 C HIS A 13 15.734 -13.039 -1.103 1.00 0.00 C ATOM 121 O HIS A 13 15.563 -13.146 -2.318 1.00 0.00 O ATOM 122 CB HIS A 13 18.023 -12.006 -1.374 1.00 0.00 C ATOM 123 CG HIS A 13 18.913 -10.825 -1.135 1.00 0.00 C ATOM 124 ND1 HIS A 13 20.117 -10.907 -0.471 1.00 0.00 N ATOM 125 CD2 HIS A 13 18.757 -9.520 -1.455 1.00 0.00 C ATOM 126 CE1 HIS A 13 20.661 -9.709 -0.395 1.00 0.00 C ATOM 127 NE2 HIS A 13 19.856 -8.848 -0.984 1.00 0.00 N ATOM 0 H HIS A 13 17.779 -12.489 1.125 1.00 0.00 H new ATOM 0 HA HIS A 13 16.160 -11.004 -0.782 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.552 -12.916 -1.092 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.806 -12.081 -2.440 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.921 -9.087 -1.984 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.606 -9.473 0.071 1.00 0.00 H new ATOM 0 HE2 HIS A 13 20.023 -7.846 -1.075 1.00 0.00 H new ATOM 136 N PRO A 14 15.111 -13.907 -0.249 1.00 0.00 N ATOM 137 CA PRO A 14 14.019 -14.814 -0.687 1.00 0.00 C ATOM 138 C PRO A 14 12.814 -14.053 -1.297 1.00 0.00 C ATOM 139 O PRO A 14 12.963 -12.908 -1.708 1.00 0.00 O ATOM 140 CB PRO A 14 13.618 -15.513 0.627 1.00 0.00 C ATOM 141 CG PRO A 14 14.148 -14.645 1.693 1.00 0.00 C ATOM 142 CD PRO A 14 15.446 -14.175 1.149 1.00 0.00 C ATOM 0 HA PRO A 14 14.336 -15.494 -1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.536 -15.619 0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.041 -16.516 0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.476 -13.812 1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.279 -15.192 2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 14 15.804 -13.282 1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.226 -14.931 1.244 1.00 0.00 H new ATOM 150 N PRO A 15 11.611 -14.680 -1.415 1.00 0.00 N ATOM 151 CA PRO A 15 10.375 -13.974 -1.797 1.00 0.00 C ATOM 152 C PRO A 15 10.252 -12.570 -1.180 1.00 0.00 C ATOM 153 O PRO A 15 10.832 -12.292 -0.127 1.00 0.00 O ATOM 154 CB PRO A 15 9.296 -14.900 -1.246 1.00 0.00 C ATOM 155 CG PRO A 15 9.862 -16.265 -1.430 1.00 0.00 C ATOM 156 CD PRO A 15 11.358 -16.133 -1.268 1.00 0.00 C ATOM 0 HA PRO A 15 10.321 -13.791 -2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.090 -14.692 -0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.356 -14.782 -1.785 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.452 -16.958 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.612 -16.660 -2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.687 -16.499 -0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.893 -16.709 -2.023 1.00 0.00 H new ATOM 164 N PRO A 16 9.467 -11.679 -1.826 1.00 0.00 N ATOM 165 CA PRO A 16 9.382 -10.238 -1.482 1.00 0.00 C ATOM 166 C PRO A 16 8.803 -9.932 -0.097 1.00 0.00 C ATOM 167 O PRO A 16 8.312 -8.829 0.148 1.00 0.00 O ATOM 168 CB PRO A 16 8.465 -9.666 -2.561 1.00 0.00 C ATOM 169 CG PRO A 16 7.690 -10.823 -3.063 1.00 0.00 C ATOM 170 CD PRO A 16 8.602 -12.005 -2.969 1.00 0.00 C ATOM 0 HA PRO A 16 10.382 -9.807 -1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.807 -8.898 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.041 -9.200 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.790 -10.977 -2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.368 -10.660 -4.092 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.047 -12.928 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.179 -12.141 -3.884 1.00 0.00 H new ATOM 178 N ARG A 17 8.891 -10.891 0.808 1.00 0.00 N ATOM 179 CA ARG A 17 8.489 -10.681 2.188 1.00 0.00 C ATOM 180 C ARG A 17 9.584 -9.927 2.938 1.00 0.00 C ATOM 181 O ARG A 17 9.471 -9.674 4.136 1.00 0.00 O ATOM 182 CB ARG A 17 8.191 -12.017 2.870 1.00 0.00 C ATOM 183 CG ARG A 17 9.321 -13.031 2.763 1.00 0.00 C ATOM 184 CD ARG A 17 8.966 -14.319 3.486 1.00 0.00 C ATOM 185 NE ARG A 17 9.984 -15.356 3.321 1.00 0.00 N ATOM 186 CZ ARG A 17 10.161 -16.357 4.185 1.00 0.00 C ATOM 187 NH1 ARG A 17 9.453 -16.393 5.310 1.00 0.00 N ATOM 188 NH2 ARG A 17 11.055 -17.307 3.940 1.00 0.00 N ATOM 0 H ARG A 17 9.240 -11.829 0.610 1.00 0.00 H new ATOM 0 HA ARG A 17 7.578 -10.083 2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.977 -11.836 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.290 -12.445 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.526 -13.243 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.233 -12.611 3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.834 -14.111 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.011 -14.690 3.113 1.00 0.00 H new ATOM 0 HE ARG A 17 10.591 -15.312 2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.777 -15.656 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.586 -17.157 5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.612 -17.275 3.086 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.185 -18.069 4.605 1.00 0.00 H new ATOM 202 N THR A 18 10.642 -9.574 2.211 1.00 0.00 N ATOM 203 CA THR A 18 11.732 -8.787 2.765 1.00 0.00 C ATOM 204 C THR A 18 12.816 -8.499 1.714 1.00 0.00 C ATOM 205 O THR A 18 13.825 -7.865 2.021 1.00 0.00 O ATOM 206 CB THR A 18 12.367 -9.501 3.983 1.00 0.00 C ATOM 207 OG1 THR A 18 13.470 -8.742 4.494 1.00 0.00 O ATOM 208 CG2 THR A 18 12.830 -10.902 3.614 1.00 0.00 C ATOM 0 H THR A 18 10.764 -9.825 1.230 1.00 0.00 H new ATOM 0 HA THR A 18 11.306 -7.837 3.089 1.00 0.00 H new ATOM 0 HB THR A 18 11.604 -9.581 4.757 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.754 -8.085 3.824 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.272 -11.381 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.978 -11.488 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.573 -10.842 2.818 1.00 0.00 H new ATOM 216 N SER A 19 12.605 -8.945 0.475 1.00 0.00 N ATOM 217 CA SER A 19 13.632 -8.812 -0.555 1.00 0.00 C ATOM 218 C SER A 19 13.409 -7.603 -1.444 1.00 0.00 C ATOM 219 O SER A 19 14.258 -7.264 -2.270 1.00 0.00 O ATOM 220 CB SER A 19 13.678 -10.067 -1.403 1.00 0.00 C ATOM 221 OG SER A 19 12.402 -10.371 -1.937 1.00 0.00 O ATOM 0 H SER A 19 11.744 -9.395 0.164 1.00 0.00 H new ATOM 0 HA SER A 19 14.584 -8.670 -0.044 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.393 -9.934 -2.215 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.032 -10.904 -0.800 1.00 0.00 H new ATOM 0 HG SER A 19 12.387 -11.303 -2.239 1.00 0.00 H new ATOM 227 N MET A 20 12.265 -6.971 -1.291 1.00 0.00 N ATOM 228 CA MET A 20 11.979 -5.747 -2.012 1.00 0.00 C ATOM 229 C MET A 20 11.123 -4.842 -1.150 1.00 0.00 C ATOM 230 O MET A 20 10.061 -4.367 -1.559 1.00 0.00 O ATOM 231 CB MET A 20 11.307 -6.029 -3.360 1.00 0.00 C ATOM 232 CG MET A 20 10.094 -6.927 -3.263 1.00 0.00 C ATOM 233 SD MET A 20 9.194 -7.054 -4.824 1.00 0.00 S ATOM 234 CE MET A 20 10.471 -7.718 -5.890 1.00 0.00 C ATOM 0 H MET A 20 11.516 -7.284 -0.673 1.00 0.00 H new ATOM 0 HA MET A 20 12.921 -5.243 -2.230 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.011 -5.083 -3.813 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.035 -6.489 -4.029 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.408 -7.922 -2.947 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.425 -6.545 -2.492 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.015 -8.134 -6.789 1.00 0.00 H new ATOM 0 HE2 MET A 20 11.162 -6.923 -6.168 1.00 0.00 H new ATOM 0 HE3 MET A 20 11.014 -8.502 -5.363 1.00 0.00 H new ATOM 244 N THR A 21 11.604 -4.606 0.057 1.00 0.00 N ATOM 245 CA THR A 21 10.937 -3.720 0.978 1.00 0.00 C ATOM 246 C THR A 21 11.241 -2.291 0.586 1.00 0.00 C ATOM 247 O THR A 21 12.396 -1.876 0.577 1.00 0.00 O ATOM 248 CB THR A 21 11.382 -3.970 2.434 1.00 0.00 C ATOM 249 OG1 THR A 21 11.037 -5.305 2.825 1.00 0.00 O ATOM 250 CG2 THR A 21 10.732 -2.971 3.385 1.00 0.00 C ATOM 0 H THR A 21 12.462 -5.022 0.419 1.00 0.00 H new ATOM 0 HA THR A 21 9.865 -3.909 0.927 1.00 0.00 H new ATOM 0 HB THR A 21 12.463 -3.841 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.076 -5.354 3.010 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.063 -3.170 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.020 -1.959 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.648 -3.069 3.330 1.00 0.00 H new ATOM 258 N GLU A 22 10.201 -1.570 0.219 1.00 0.00 N ATOM 259 CA GLU A 22 10.330 -0.200 -0.233 1.00 0.00 C ATOM 260 C GLU A 22 9.931 0.741 0.892 1.00 0.00 C ATOM 261 O GLU A 22 8.836 0.605 1.436 1.00 0.00 O ATOM 262 CB GLU A 22 9.404 0.025 -1.432 1.00 0.00 C ATOM 263 CG GLU A 22 9.802 1.187 -2.320 1.00 0.00 C ATOM 264 CD GLU A 22 10.913 0.814 -3.276 1.00 0.00 C ATOM 265 OE1 GLU A 22 12.067 0.671 -2.826 1.00 0.00 O ATOM 266 OE2 GLU A 22 10.633 0.645 -4.482 1.00 0.00 O ATOM 0 H GLU A 22 9.242 -1.918 0.226 1.00 0.00 H new ATOM 0 HA GLU A 22 11.362 -0.006 -0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.380 -0.884 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.391 0.193 -1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.934 1.524 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.123 2.024 -1.700 1.00 0.00 H new ATOM 273 N GLU A 23 10.795 1.673 1.266 1.00 0.00 N ATOM 274 CA GLU A 23 10.401 2.669 2.243 1.00 0.00 C ATOM 275 C GLU A 23 10.004 3.939 1.509 1.00 0.00 C ATOM 276 O GLU A 23 10.848 4.696 1.026 1.00 0.00 O ATOM 277 CB GLU A 23 11.531 2.943 3.242 1.00 0.00 C ATOM 278 CG GLU A 23 11.100 3.769 4.444 1.00 0.00 C ATOM 279 CD GLU A 23 10.256 2.983 5.427 1.00 0.00 C ATOM 280 OE1 GLU A 23 9.062 2.757 5.154 1.00 0.00 O ATOM 281 OE2 GLU A 23 10.788 2.599 6.494 1.00 0.00 O ATOM 0 H GLU A 23 11.750 1.758 0.917 1.00 0.00 H new ATOM 0 HA GLU A 23 9.552 2.297 2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.933 1.992 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.340 3.461 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.985 4.148 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.535 4.635 4.100 1.00 0.00 H new ATOM 288 N TYR A 24 8.713 4.172 1.434 1.00 0.00 N ATOM 289 CA TYR A 24 8.175 5.210 0.584 1.00 0.00 C ATOM 290 C TYR A 24 8.046 6.528 1.324 1.00 0.00 C ATOM 291 O TYR A 24 7.298 6.635 2.297 1.00 0.00 O ATOM 292 CB TYR A 24 6.811 4.778 0.054 1.00 0.00 C ATOM 293 CG TYR A 24 6.773 4.625 -1.444 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.478 5.704 -2.260 1.00 0.00 C ATOM 295 CD2 TYR A 24 7.043 3.402 -2.042 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.450 5.571 -3.632 1.00 0.00 C ATOM 297 CE2 TYR A 24 7.015 3.259 -3.414 1.00 0.00 C ATOM 298 CZ TYR A 24 6.720 4.346 -4.205 1.00 0.00 C ATOM 299 OH TYR A 24 6.698 4.207 -5.572 1.00 0.00 O ATOM 0 H TYR A 24 8.010 3.651 1.957 1.00 0.00 H new ATOM 0 HA TYR A 24 8.866 5.361 -0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.533 3.831 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.063 5.511 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.267 6.665 -1.815 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.279 2.549 -1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.218 6.422 -4.255 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.223 2.300 -3.865 1.00 0.00 H new ATOM 0 HH TYR A 24 6.911 3.281 -5.810 1.00 0.00 H new ATOM 309 N ARG A 25 8.787 7.525 0.860 1.00 0.00 N ATOM 310 CA ARG A 25 8.661 8.871 1.388 1.00 0.00 C ATOM 311 C ARG A 25 7.475 9.552 0.724 1.00 0.00 C ATOM 312 O ARG A 25 7.514 9.858 -0.468 1.00 0.00 O ATOM 313 CB ARG A 25 9.920 9.700 1.131 1.00 0.00 C ATOM 314 CG ARG A 25 11.213 9.043 1.566 1.00 0.00 C ATOM 315 CD ARG A 25 12.390 9.993 1.389 1.00 0.00 C ATOM 316 NE ARG A 25 12.038 11.373 1.747 1.00 0.00 N ATOM 317 CZ ARG A 25 12.914 12.376 1.831 1.00 0.00 C ATOM 318 NH1 ARG A 25 14.197 12.176 1.547 1.00 0.00 N ATOM 319 NH2 ARG A 25 12.501 13.586 2.191 1.00 0.00 N ATOM 0 H ARG A 25 9.481 7.424 0.119 1.00 0.00 H new ATOM 0 HA ARG A 25 8.516 8.801 2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.982 9.920 0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.822 10.654 1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.139 8.740 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.380 8.138 0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.223 9.659 2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.729 9.962 0.354 1.00 0.00 H new ATOM 0 HE ARG A 25 11.059 11.578 1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.518 11.251 1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.860 12.948 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.516 13.747 2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.169 14.354 2.256 1.00 0.00 H new ATOM 333 N VAL A 26 6.421 9.762 1.482 1.00 0.00 N ATOM 334 CA VAL A 26 5.216 10.367 0.950 1.00 0.00 C ATOM 335 C VAL A 26 4.822 11.594 1.763 1.00 0.00 C ATOM 336 O VAL A 26 4.680 11.525 2.983 1.00 0.00 O ATOM 337 CB VAL A 26 4.053 9.344 0.895 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.080 8.416 2.096 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.707 10.046 0.802 1.00 0.00 C ATOM 0 H VAL A 26 6.373 9.522 2.472 1.00 0.00 H new ATOM 0 HA VAL A 26 5.426 10.688 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 26 4.190 8.744 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.252 7.710 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.023 7.869 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.984 9.001 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.911 9.303 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.568 10.683 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.676 10.656 -0.101 1.00 0.00 H new ATOM 349 N PRO A 27 4.664 12.744 1.087 1.00 0.00 N ATOM 350 CA PRO A 27 4.250 13.997 1.734 1.00 0.00 C ATOM 351 C PRO A 27 2.940 13.811 2.490 1.00 0.00 C ATOM 352 O PRO A 27 2.009 13.187 1.988 1.00 0.00 O ATOM 353 CB PRO A 27 4.064 14.955 0.552 1.00 0.00 C ATOM 354 CG PRO A 27 4.938 14.404 -0.518 1.00 0.00 C ATOM 355 CD PRO A 27 4.864 12.913 -0.363 1.00 0.00 C ATOM 0 HA PRO A 27 4.969 14.357 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.023 14.993 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.354 15.972 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.594 14.714 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.963 14.760 -0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.041 12.487 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.777 12.425 -0.705 1.00 0.00 H new ATOM 363 N ASP A 28 2.888 14.360 3.701 1.00 0.00 N ATOM 364 CA ASP A 28 1.805 14.074 4.648 1.00 0.00 C ATOM 365 C ASP A 28 0.426 14.433 4.089 1.00 0.00 C ATOM 366 O ASP A 28 -0.561 13.756 4.383 1.00 0.00 O ATOM 367 CB ASP A 28 2.048 14.803 5.970 1.00 0.00 C ATOM 368 CG ASP A 28 1.086 14.361 7.057 1.00 0.00 C ATOM 369 OD1 ASP A 28 1.209 13.209 7.528 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.207 15.159 7.445 1.00 0.00 O ATOM 0 H ASP A 28 3.588 15.012 4.055 1.00 0.00 H new ATOM 0 HA ASP A 28 1.809 12.998 4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.072 14.623 6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.948 15.877 5.814 1.00 0.00 H new ATOM 375 N GLY A 29 0.356 15.485 3.282 1.00 0.00 N ATOM 376 CA GLY A 29 -0.890 15.822 2.616 1.00 0.00 C ATOM 377 C GLY A 29 -1.313 14.740 1.638 1.00 0.00 C ATOM 378 O GLY A 29 -2.500 14.431 1.488 1.00 0.00 O ATOM 0 H GLY A 29 1.136 16.109 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.673 15.967 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.775 16.768 2.086 1.00 0.00 H new ATOM 382 N MET A 30 -0.326 14.120 1.010 1.00 0.00 N ATOM 383 CA MET A 30 -0.585 13.061 0.051 1.00 0.00 C ATOM 384 C MET A 30 -0.893 11.767 0.785 1.00 0.00 C ATOM 385 O MET A 30 -1.319 10.791 0.183 1.00 0.00 O ATOM 386 CB MET A 30 0.608 12.861 -0.886 1.00 0.00 C ATOM 387 CG MET A 30 0.980 14.104 -1.675 1.00 0.00 C ATOM 388 SD MET A 30 -0.410 14.781 -2.599 1.00 0.00 S ATOM 389 CE MET A 30 -0.751 13.428 -3.718 1.00 0.00 C ATOM 0 H MET A 30 0.662 14.333 1.148 1.00 0.00 H new ATOM 0 HA MET A 30 -1.445 13.349 -0.554 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.470 12.542 -0.300 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.380 12.054 -1.582 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.361 14.863 -0.992 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.788 13.863 -2.366 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.060 13.825 -4.685 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.148 12.825 -3.844 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.549 12.809 -3.308 1.00 0.00 H new ATOM 399 N VAL A 31 -0.675 11.772 2.093 1.00 0.00 N ATOM 400 CA VAL A 31 -1.078 10.657 2.931 1.00 0.00 C ATOM 401 C VAL A 31 -2.579 10.712 3.138 1.00 0.00 C ATOM 402 O VAL A 31 -3.260 9.692 3.101 1.00 0.00 O ATOM 403 CB VAL A 31 -0.373 10.670 4.296 1.00 0.00 C ATOM 404 CG1 VAL A 31 -0.745 9.438 5.109 1.00 0.00 C ATOM 405 CG2 VAL A 31 1.126 10.760 4.106 1.00 0.00 C ATOM 0 H VAL A 31 -0.222 12.536 2.594 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.791 9.736 2.424 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.705 11.547 4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.234 9.469 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.823 9.421 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.445 8.541 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.616 10.769 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.472 9.900 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.370 11.676 3.569 1.00 0.00 H new ATOM 415 N GLY A 32 -3.088 11.920 3.336 1.00 0.00 N ATOM 416 CA GLY A 32 -4.523 12.108 3.390 1.00 0.00 C ATOM 417 C GLY A 32 -5.184 11.676 2.095 1.00 0.00 C ATOM 418 O GLY A 32 -6.329 11.222 2.087 1.00 0.00 O ATOM 0 H GLY A 32 -2.536 12.769 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.936 11.535 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.748 13.157 3.583 1.00 0.00 H new ATOM 422 N LEU A 33 -4.454 11.811 0.993 1.00 0.00 N ATOM 423 CA LEU A 33 -4.962 11.378 -0.302 1.00 0.00 C ATOM 424 C LEU A 33 -4.713 9.886 -0.561 1.00 0.00 C ATOM 425 O LEU A 33 -5.486 9.252 -1.274 1.00 0.00 O ATOM 426 CB LEU A 33 -4.348 12.210 -1.429 1.00 0.00 C ATOM 427 CG LEU A 33 -4.697 13.698 -1.405 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.068 14.407 -2.592 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.205 13.896 -1.404 1.00 0.00 C ATOM 0 H LEU A 33 -3.517 12.213 0.971 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.041 11.533 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.264 12.107 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.670 11.793 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.295 14.131 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.325 15.466 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.985 14.295 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.442 13.969 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.432 14.962 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.631 13.449 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.634 13.419 -0.523 1.00 0.00 H new ATOM 441 N ILE A 34 -3.650 9.319 0.014 1.00 0.00 N ATOM 442 CA ILE A 34 -3.328 7.909 -0.225 1.00 0.00 C ATOM 443 C ILE A 34 -4.334 7.014 0.487 1.00 0.00 C ATOM 444 O ILE A 34 -4.631 5.905 0.045 1.00 0.00 O ATOM 445 CB ILE A 34 -1.878 7.540 0.206 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.500 6.149 -0.305 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.713 7.584 1.714 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.612 5.999 -1.805 1.00 0.00 C ATOM 0 H ILE A 34 -3.006 9.805 0.639 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.389 7.746 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.214 8.283 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.477 5.927 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.142 5.409 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.688 7.321 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.933 8.589 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.399 6.874 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.328 4.986 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.640 6.189 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.949 6.714 -2.293 1.00 0.00 H new ATOM 460 N ILE A 35 -4.875 7.517 1.585 1.00 0.00 N ATOM 461 CA ILE A 35 -5.931 6.823 2.297 1.00 0.00 C ATOM 462 C ILE A 35 -7.276 7.056 1.624 1.00 0.00 C ATOM 463 O ILE A 35 -8.259 6.379 1.938 1.00 0.00 O ATOM 464 CB ILE A 35 -6.007 7.236 3.776 1.00 0.00 C ATOM 465 CG1 ILE A 35 -6.033 8.759 3.927 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.852 6.627 4.546 1.00 0.00 C ATOM 467 CD1 ILE A 35 -6.077 9.232 5.366 1.00 0.00 C ATOM 0 H ILE A 35 -4.598 8.406 2.002 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.689 5.761 2.263 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.939 6.855 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.150 9.177 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.902 9.152 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.915 6.925 5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.900 5.540 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.909 6.977 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.093 10.322 5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.974 8.845 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.195 8.870 5.895 1.00 0.00 H new ATOM 479 N GLY A 36 -7.306 8.041 0.724 1.00 0.00 N ATOM 480 CA GLY A 36 -8.482 8.314 -0.086 1.00 0.00 C ATOM 481 C GLY A 36 -9.702 8.669 0.732 1.00 0.00 C ATOM 482 O GLY A 36 -9.922 9.830 1.073 1.00 0.00 O ATOM 0 H GLY A 36 -6.519 8.664 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.261 9.133 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.705 7.439 -0.697 1.00 0.00 H new ATOM 486 N ARG A 37 -10.482 7.653 1.057 1.00 0.00 N ATOM 487 CA ARG A 37 -11.683 7.807 1.863 1.00 0.00 C ATOM 488 C ARG A 37 -11.338 7.964 3.348 1.00 0.00 C ATOM 489 O ARG A 37 -12.026 7.437 4.220 1.00 0.00 O ATOM 490 CB ARG A 37 -12.582 6.590 1.647 1.00 0.00 C ATOM 491 CG ARG A 37 -11.900 5.268 1.971 1.00 0.00 C ATOM 492 CD ARG A 37 -12.294 4.182 0.979 1.00 0.00 C ATOM 493 NE ARG A 37 -13.732 3.925 0.973 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.539 4.262 -0.035 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.051 4.890 -1.099 1.00 0.00 N ATOM 496 NH2 ARG A 37 -15.830 3.970 0.019 1.00 0.00 N ATOM 0 H ARG A 37 -10.300 6.692 0.768 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.206 8.712 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.473 6.692 2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.915 6.573 0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.818 5.402 1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.169 4.956 2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.976 4.476 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.765 3.261 1.224 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.142 3.462 1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.057 5.116 -1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.670 5.147 -1.868 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.210 3.486 0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.444 4.229 -0.753 1.00 0.00 H new ATOM 510 N GLY A 38 -10.255 8.681 3.620 1.00 0.00 N ATOM 511 CA GLY A 38 -9.851 8.952 4.982 1.00 0.00 C ATOM 512 C GLY A 38 -9.286 7.741 5.703 1.00 0.00 C ATOM 513 O GLY A 38 -9.250 7.714 6.934 1.00 0.00 O ATOM 0 H GLY A 38 -9.644 9.083 2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.102 9.744 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.710 9.327 5.539 1.00 0.00 H new ATOM 517 N GLY A 39 -8.850 6.732 4.954 1.00 0.00 N ATOM 518 CA GLY A 39 -8.168 5.615 5.580 1.00 0.00 C ATOM 519 C GLY A 39 -8.393 4.288 4.882 1.00 0.00 C ATOM 520 O GLY A 39 -7.437 3.578 4.577 1.00 0.00 O ATOM 0 H GLY A 39 -8.955 6.668 3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.098 5.824 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.502 5.532 6.614 1.00 0.00 H new ATOM 524 N GLU A 40 -9.652 3.971 4.604 1.00 0.00 N ATOM 525 CA GLU A 40 -10.028 2.637 4.134 1.00 0.00 C ATOM 526 C GLU A 40 -9.319 2.237 2.836 1.00 0.00 C ATOM 527 O GLU A 40 -9.080 1.058 2.615 1.00 0.00 O ATOM 528 CB GLU A 40 -11.542 2.552 3.927 1.00 0.00 C ATOM 529 CG GLU A 40 -12.028 1.154 3.579 1.00 0.00 C ATOM 530 CD GLU A 40 -13.364 1.150 2.863 1.00 0.00 C ATOM 531 OE1 GLU A 40 -14.150 2.105 3.040 1.00 0.00 O ATOM 532 OE2 GLU A 40 -13.627 0.194 2.101 1.00 0.00 O ATOM 0 H GLU A 40 -10.434 4.619 4.695 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.712 1.939 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.044 2.888 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.831 3.238 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.284 0.663 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.111 0.566 4.493 1.00 0.00 H new ATOM 539 N GLN A 41 -8.963 3.208 1.998 1.00 0.00 N ATOM 540 CA GLN A 41 -8.450 2.910 0.657 1.00 0.00 C ATOM 541 C GLN A 41 -7.193 2.049 0.727 1.00 0.00 C ATOM 542 O GLN A 41 -7.156 0.954 0.164 1.00 0.00 O ATOM 543 CB GLN A 41 -8.169 4.208 -0.105 1.00 0.00 C ATOM 544 CG GLN A 41 -8.090 4.059 -1.621 1.00 0.00 C ATOM 545 CD GLN A 41 -6.790 3.448 -2.109 1.00 0.00 C ATOM 546 OE1 GLN A 41 -6.690 2.245 -2.309 1.00 0.00 O ATOM 547 NE2 GLN A 41 -5.779 4.277 -2.285 1.00 0.00 N ATOM 0 H GLN A 41 -9.019 4.202 2.219 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.213 2.346 0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.951 4.929 0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.229 4.626 0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.921 3.440 -1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.215 5.040 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.900 5.274 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.876 3.921 -2.598 1.00 0.00 H new ATOM 556 N ILE A 42 -6.178 2.528 1.443 1.00 0.00 N ATOM 557 CA ILE A 42 -4.922 1.796 1.543 1.00 0.00 C ATOM 558 C ILE A 42 -5.154 0.394 2.098 1.00 0.00 C ATOM 559 O ILE A 42 -4.713 -0.587 1.505 1.00 0.00 O ATOM 560 CB ILE A 42 -3.863 2.540 2.400 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.586 1.704 2.522 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.395 2.898 3.781 1.00 0.00 C ATOM 563 CD1 ILE A 42 -1.833 1.550 1.218 1.00 0.00 C ATOM 0 H ILE A 42 -6.201 3.409 1.956 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.525 1.721 0.530 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.630 3.473 1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.929 2.166 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.844 0.715 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.621 3.417 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.266 3.546 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.680 1.988 4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.940 0.946 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.473 1.060 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.543 2.533 0.847 1.00 0.00 H new ATOM 575 N ASN A 43 -5.889 0.306 3.203 1.00 0.00 N ATOM 576 CA ASN A 43 -6.157 -0.974 3.853 1.00 0.00 C ATOM 577 C ASN A 43 -6.915 -1.903 2.916 1.00 0.00 C ATOM 578 O ASN A 43 -6.649 -3.101 2.860 1.00 0.00 O ATOM 579 CB ASN A 43 -6.967 -0.765 5.137 1.00 0.00 C ATOM 580 CG ASN A 43 -7.172 -2.052 5.917 1.00 0.00 C ATOM 581 OD1 ASN A 43 -6.308 -2.927 5.939 1.00 0.00 O ATOM 582 ND2 ASN A 43 -8.327 -2.181 6.546 1.00 0.00 N ATOM 0 H ASN A 43 -6.311 1.109 3.669 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.200 -1.431 4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.456 -0.039 5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.938 -0.340 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.528 -3.030 7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.018 -1.432 6.503 1.00 0.00 H new ATOM 589 N LYS A 44 -7.842 -1.331 2.165 1.00 0.00 N ATOM 590 CA LYS A 44 -8.684 -2.088 1.257 1.00 0.00 C ATOM 591 C LYS A 44 -7.841 -2.806 0.214 1.00 0.00 C ATOM 592 O LYS A 44 -8.058 -3.982 -0.068 1.00 0.00 O ATOM 593 CB LYS A 44 -9.676 -1.145 0.567 1.00 0.00 C ATOM 594 CG LYS A 44 -10.902 -1.843 0.007 1.00 0.00 C ATOM 595 CD LYS A 44 -11.694 -2.530 1.109 1.00 0.00 C ATOM 596 CE LYS A 44 -13.052 -3.003 0.619 1.00 0.00 C ATOM 597 NZ LYS A 44 -13.933 -1.867 0.239 1.00 0.00 N ATOM 0 H LYS A 44 -8.031 -0.329 2.169 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.232 -2.836 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.997 -0.386 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.164 -0.625 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.536 -1.117 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.597 -2.578 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.128 -3.381 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.829 -1.841 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.919 -3.661 -0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.535 -3.591 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.928 -2.162 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.766 -1.068 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.722 -1.575 -0.737 1.00 0.00 H new ATOM 611 N ILE A 45 -6.867 -2.096 -0.336 1.00 0.00 N ATOM 612 CA ILE A 45 -6.033 -2.635 -1.402 1.00 0.00 C ATOM 613 C ILE A 45 -4.919 -3.531 -0.856 1.00 0.00 C ATOM 614 O ILE A 45 -4.649 -4.597 -1.417 1.00 0.00 O ATOM 615 CB ILE A 45 -5.443 -1.497 -2.283 1.00 0.00 C ATOM 616 CG1 ILE A 45 -6.422 -1.119 -3.403 1.00 0.00 C ATOM 617 CG2 ILE A 45 -4.094 -1.883 -2.880 1.00 0.00 C ATOM 618 CD1 ILE A 45 -7.771 -0.631 -2.918 1.00 0.00 C ATOM 0 H ILE A 45 -6.634 -1.142 -0.061 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.675 -3.254 -2.029 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.288 -0.634 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.968 -0.342 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.573 -1.987 -4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.717 -1.061 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.388 -2.094 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.212 -2.770 -3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.399 -0.386 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.250 -1.413 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.636 0.258 -2.301 1.00 0.00 H new ATOM 630 N GLN A 46 -4.280 -3.124 0.238 1.00 0.00 N ATOM 631 CA GLN A 46 -3.179 -3.906 0.786 1.00 0.00 C ATOM 632 C GLN A 46 -3.684 -5.215 1.395 1.00 0.00 C ATOM 633 O GLN A 46 -3.043 -6.255 1.259 1.00 0.00 O ATOM 634 CB GLN A 46 -2.354 -3.098 1.803 1.00 0.00 C ATOM 635 CG GLN A 46 -3.140 -2.513 2.968 1.00 0.00 C ATOM 636 CD GLN A 46 -2.961 -3.275 4.270 1.00 0.00 C ATOM 637 OE1 GLN A 46 -2.802 -4.494 4.287 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.964 -2.546 5.374 1.00 0.00 N ATOM 0 H GLN A 46 -4.501 -2.272 0.754 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.514 -4.155 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.571 -3.742 2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.858 -2.283 1.276 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.833 -1.478 3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.199 -2.498 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.099 -1.537 5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.831 -2.993 6.281 1.00 0.00 H new ATOM 647 N GLN A 47 -4.848 -5.169 2.034 1.00 0.00 N ATOM 648 CA GLN A 47 -5.446 -6.366 2.620 1.00 0.00 C ATOM 649 C GLN A 47 -5.951 -7.283 1.511 1.00 0.00 C ATOM 650 O GLN A 47 -5.830 -8.508 1.595 1.00 0.00 O ATOM 651 CB GLN A 47 -6.586 -5.965 3.572 1.00 0.00 C ATOM 652 CG GLN A 47 -7.147 -7.096 4.425 1.00 0.00 C ATOM 653 CD GLN A 47 -8.123 -7.987 3.677 1.00 0.00 C ATOM 654 OE1 GLN A 47 -8.816 -7.546 2.760 1.00 0.00 O ATOM 655 NE2 GLN A 47 -8.191 -9.245 4.073 1.00 0.00 N ATOM 0 H GLN A 47 -5.396 -4.318 2.160 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.696 -6.908 3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.225 -5.177 4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.398 -5.539 2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.323 -7.704 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.647 -6.671 5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.600 -9.572 4.837 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.835 -9.890 3.615 1.00 0.00 H new ATOM 664 N ASP A 48 -6.499 -6.673 0.465 1.00 0.00 N ATOM 665 CA ASP A 48 -7.007 -7.410 -0.690 1.00 0.00 C ATOM 666 C ASP A 48 -5.890 -8.174 -1.386 1.00 0.00 C ATOM 667 O ASP A 48 -5.997 -9.379 -1.623 1.00 0.00 O ATOM 668 CB ASP A 48 -7.655 -6.444 -1.680 1.00 0.00 C ATOM 669 CG ASP A 48 -8.249 -7.151 -2.880 1.00 0.00 C ATOM 670 OD1 ASP A 48 -9.434 -7.544 -2.812 1.00 0.00 O ATOM 671 OD2 ASP A 48 -7.548 -7.309 -3.896 1.00 0.00 O ATOM 0 H ASP A 48 -6.604 -5.661 0.392 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.748 -8.126 -0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.437 -5.879 -1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.911 -5.724 -2.019 1.00 0.00 H new ATOM 676 N SER A 49 -4.817 -7.468 -1.702 1.00 0.00 N ATOM 677 CA SER A 49 -3.691 -8.064 -2.396 1.00 0.00 C ATOM 678 C SER A 49 -2.932 -9.027 -1.485 1.00 0.00 C ATOM 679 O SER A 49 -2.469 -10.082 -1.925 1.00 0.00 O ATOM 680 CB SER A 49 -2.758 -6.966 -2.906 1.00 0.00 C ATOM 681 OG SER A 49 -2.399 -6.081 -1.861 1.00 0.00 O ATOM 0 H SER A 49 -4.703 -6.477 -1.487 1.00 0.00 H new ATOM 0 HA SER A 49 -4.070 -8.635 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.861 -7.415 -3.332 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.247 -6.411 -3.706 1.00 0.00 H new ATOM 0 HG SER A 49 -3.107 -5.414 -1.739 1.00 0.00 H new ATOM 687 N GLY A 50 -2.818 -8.666 -0.213 1.00 0.00 N ATOM 688 CA GLY A 50 -2.093 -9.490 0.735 1.00 0.00 C ATOM 689 C GLY A 50 -0.776 -8.861 1.141 1.00 0.00 C ATOM 690 O GLY A 50 0.073 -9.508 1.756 1.00 0.00 O ATOM 0 H GLY A 50 -3.217 -7.813 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.707 -9.649 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.907 -10.470 0.296 1.00 0.00 H new ATOM 694 N CYS A 51 -0.608 -7.595 0.788 1.00 0.00 N ATOM 695 CA CYS A 51 0.605 -6.858 1.101 1.00 0.00 C ATOM 696 C CYS A 51 0.516 -6.273 2.504 1.00 0.00 C ATOM 697 O CYS A 51 -0.571 -5.971 2.994 1.00 0.00 O ATOM 698 CB CYS A 51 0.813 -5.744 0.075 1.00 0.00 C ATOM 699 SG CYS A 51 2.410 -4.905 0.195 1.00 0.00 S ATOM 0 H CYS A 51 -1.306 -7.053 0.279 1.00 0.00 H new ATOM 0 HA CYS A 51 1.455 -7.539 1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.712 -6.165 -0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.019 -5.006 0.192 1.00 0.00 H new ATOM 0 HG CYS A 51 3.087 -5.400 1.188 1.00 0.00 H new ATOM 705 N LYS A 52 1.660 -6.132 3.151 1.00 0.00 N ATOM 706 CA LYS A 52 1.723 -5.575 4.490 1.00 0.00 C ATOM 707 C LYS A 52 2.258 -4.156 4.429 1.00 0.00 C ATOM 708 O LYS A 52 3.449 -3.909 4.614 1.00 0.00 O ATOM 709 CB LYS A 52 2.600 -6.456 5.384 1.00 0.00 C ATOM 710 CG LYS A 52 2.189 -7.920 5.355 1.00 0.00 C ATOM 711 CD LYS A 52 0.743 -8.092 5.788 1.00 0.00 C ATOM 712 CE LYS A 52 0.196 -9.457 5.411 1.00 0.00 C ATOM 713 NZ LYS A 52 -1.237 -9.594 5.788 1.00 0.00 N ATOM 0 H LYS A 52 2.566 -6.399 2.765 1.00 0.00 H new ATOM 0 HA LYS A 52 0.722 -5.548 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.639 -6.369 5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.549 -6.089 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.320 -8.318 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.840 -8.496 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.669 -7.957 6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.132 -7.316 5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.307 -9.611 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.779 -10.233 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.579 -10.538 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.339 -9.471 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.796 -8.868 5.296 1.00 0.00 H new ATOM 727 N VAL A 53 1.360 -3.232 4.135 1.00 0.00 N ATOM 728 CA VAL A 53 1.714 -1.832 4.004 1.00 0.00 C ATOM 729 C VAL A 53 1.516 -1.116 5.328 1.00 0.00 C ATOM 730 O VAL A 53 0.393 -0.992 5.821 1.00 0.00 O ATOM 731 CB VAL A 53 0.870 -1.151 2.909 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.315 0.281 2.689 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.952 -1.934 1.614 1.00 0.00 C ATOM 0 H VAL A 53 0.371 -3.430 3.981 1.00 0.00 H new ATOM 0 HA VAL A 53 2.764 -1.773 3.717 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.167 -1.135 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.702 0.737 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.203 0.843 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.361 0.294 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.350 -1.440 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.989 -1.982 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.575 -2.944 1.775 1.00 0.00 H new ATOM 743 N GLN A 54 2.611 -0.670 5.914 1.00 0.00 N ATOM 744 CA GLN A 54 2.568 -0.005 7.204 1.00 0.00 C ATOM 745 C GLN A 54 2.816 1.481 7.051 1.00 0.00 C ATOM 746 O GLN A 54 3.780 1.899 6.406 1.00 0.00 O ATOM 747 CB GLN A 54 3.582 -0.635 8.154 1.00 0.00 C ATOM 748 CG GLN A 54 3.247 -2.075 8.482 1.00 0.00 C ATOM 749 CD GLN A 54 1.935 -2.206 9.231 1.00 0.00 C ATOM 750 OE1 GLN A 54 1.912 -2.318 10.456 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.830 -2.111 8.508 1.00 0.00 N ATOM 0 H GLN A 54 3.546 -0.756 5.515 1.00 0.00 H new ATOM 0 HA GLN A 54 1.573 -0.133 7.630 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.574 -0.589 7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.622 -0.055 9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.195 -2.653 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.049 -2.505 9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.890 -2.019 7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.082 -2.129 8.965 1.00 0.00 H new ATOM 760 N ILE A 55 1.939 2.274 7.643 1.00 0.00 N ATOM 761 CA ILE A 55 1.996 3.712 7.481 1.00 0.00 C ATOM 762 C ILE A 55 2.608 4.365 8.720 1.00 0.00 C ATOM 763 O ILE A 55 1.895 4.726 9.655 1.00 0.00 O ATOM 764 CB ILE A 55 0.587 4.313 7.224 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.155 3.545 6.117 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.691 5.783 6.856 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.556 3.548 4.783 1.00 0.00 C ATOM 0 H ILE A 55 1.180 1.944 8.239 1.00 0.00 H new ATOM 0 HA ILE A 55 2.622 3.917 6.613 1.00 0.00 H new ATOM 0 HB ILE A 55 0.015 4.218 8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.298 2.513 6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.146 3.980 5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.307 6.185 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.164 6.330 7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.290 5.890 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.031 2.986 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.676 4.575 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.537 3.085 4.892 1.00 0.00 H new ATOM 779 N SER A 56 3.930 4.516 8.727 1.00 0.00 N ATOM 780 CA SER A 56 4.625 5.079 9.881 1.00 0.00 C ATOM 781 C SER A 56 4.520 6.599 9.884 1.00 0.00 C ATOM 782 O SER A 56 5.045 7.275 8.993 1.00 0.00 O ATOM 783 CB SER A 56 6.093 4.652 9.889 1.00 0.00 C ATOM 784 OG SER A 56 6.765 5.137 11.039 1.00 0.00 O ATOM 0 H SER A 56 4.539 4.258 7.950 1.00 0.00 H new ATOM 0 HA SER A 56 4.147 4.696 10.783 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.158 3.564 9.859 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.587 5.025 8.992 1.00 0.00 H new ATOM 0 HG SER A 56 7.701 4.847 11.018 1.00 0.00 H new ATOM 790 N PRO A 57 3.826 7.153 10.893 1.00 0.00 N ATOM 791 CA PRO A 57 3.599 8.588 11.024 1.00 0.00 C ATOM 792 C PRO A 57 4.813 9.319 11.584 1.00 0.00 C ATOM 793 O PRO A 57 5.072 10.468 11.233 1.00 0.00 O ATOM 794 CB PRO A 57 2.415 8.683 12.004 1.00 0.00 C ATOM 795 CG PRO A 57 1.999 7.276 12.289 1.00 0.00 C ATOM 796 CD PRO A 57 3.191 6.423 11.993 1.00 0.00 C ATOM 0 HA PRO A 57 3.405 9.055 10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.708 9.196 12.920 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.593 9.252 11.569 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.688 7.164 13.328 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.150 6.988 11.669 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.851 6.331 12.856 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.906 5.412 11.701 1.00 0.00 H new ATOM 804 N ASP A 58 5.560 8.646 12.448 1.00 0.00 N ATOM 805 CA ASP A 58 6.745 9.243 13.050 1.00 0.00 C ATOM 806 C ASP A 58 7.903 9.190 12.072 1.00 0.00 C ATOM 807 O ASP A 58 8.744 10.094 12.036 1.00 0.00 O ATOM 808 CB ASP A 58 7.131 8.515 14.338 1.00 0.00 C ATOM 809 CG ASP A 58 6.014 8.497 15.359 1.00 0.00 C ATOM 810 OD1 ASP A 58 5.843 9.497 16.084 1.00 0.00 O ATOM 811 OD2 ASP A 58 5.302 7.476 15.449 1.00 0.00 O ATOM 0 H ASP A 58 5.368 7.690 12.747 1.00 0.00 H new ATOM 0 HA ASP A 58 6.517 10.281 13.293 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.415 7.490 14.099 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.007 8.996 14.773 1.00 0.00 H new ATOM 816 N SER A 59 7.930 8.111 11.289 1.00 0.00 N ATOM 817 CA SER A 59 8.920 7.902 10.238 1.00 0.00 C ATOM 818 C SER A 59 10.309 7.606 10.804 1.00 0.00 C ATOM 819 O SER A 59 10.846 6.511 10.616 1.00 0.00 O ATOM 820 CB SER A 59 8.985 9.102 9.292 1.00 0.00 C ATOM 821 OG SER A 59 9.925 8.870 8.262 1.00 0.00 O ATOM 0 H SER A 59 7.256 7.350 11.370 1.00 0.00 H new ATOM 0 HA SER A 59 8.595 7.027 9.675 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.001 9.286 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.261 9.997 9.849 1.00 0.00 H new ATOM 0 HG SER A 59 10.093 7.908 8.183 1.00 0.00 H new ATOM 827 N GLY A 60 10.891 8.584 11.480 1.00 0.00 N ATOM 828 CA GLY A 60 12.215 8.420 12.036 1.00 0.00 C ATOM 829 C GLY A 60 13.199 9.423 11.470 1.00 0.00 C ATOM 830 O GLY A 60 13.828 10.175 12.212 1.00 0.00 O ATOM 0 H GLY A 60 10.465 9.495 11.654 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.169 8.530 13.119 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.570 7.410 11.833 1.00 0.00 H new ATOM 834 N GLY A 61 13.323 9.443 10.150 1.00 0.00 N ATOM 835 CA GLY A 61 14.254 10.350 9.505 1.00 0.00 C ATOM 836 C GLY A 61 13.558 11.353 8.617 1.00 0.00 C ATOM 837 O GLY A 61 14.173 12.311 8.144 1.00 0.00 O ATOM 0 H GLY A 61 12.795 8.847 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.828 10.879 10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.965 9.775 8.912 1.00 0.00 H new ATOM 841 N LEU A 62 12.274 11.140 8.391 1.00 0.00 N ATOM 842 CA LEU A 62 11.525 11.949 7.451 1.00 0.00 C ATOM 843 C LEU A 62 10.484 12.787 8.180 1.00 0.00 C ATOM 844 O LEU A 62 9.921 12.357 9.185 1.00 0.00 O ATOM 845 CB LEU A 62 10.838 11.036 6.433 1.00 0.00 C ATOM 846 CG LEU A 62 11.758 10.042 5.724 1.00 0.00 C ATOM 847 CD1 LEU A 62 10.957 9.158 4.792 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.865 10.767 4.977 1.00 0.00 C ATOM 0 H LEU A 62 11.728 10.410 8.849 1.00 0.00 H new ATOM 0 HA LEU A 62 12.211 12.622 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.051 10.479 6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.353 11.658 5.681 1.00 0.00 H new ATOM 0 HG LEU A 62 12.228 9.407 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.625 8.455 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.211 8.606 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.457 9.775 4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.506 10.039 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.427 11.432 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.457 11.351 5.681 1.00 0.00 H new ATOM 860 N PRO A 63 10.242 14.012 7.694 1.00 0.00 N ATOM 861 CA PRO A 63 9.170 14.869 8.201 1.00 0.00 C ATOM 862 C PRO A 63 7.845 14.493 7.559 1.00 0.00 C ATOM 863 O PRO A 63 6.761 14.861 8.022 1.00 0.00 O ATOM 864 CB PRO A 63 9.609 16.252 7.741 1.00 0.00 C ATOM 865 CG PRO A 63 10.309 15.996 6.450 1.00 0.00 C ATOM 866 CD PRO A 63 10.999 14.666 6.607 1.00 0.00 C ATOM 0 HA PRO A 63 9.020 14.793 9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.756 16.918 7.608 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.271 16.723 8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.602 15.973 5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.029 16.785 6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.963 14.084 5.686 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.051 14.787 6.867 1.00 0.00 H new ATOM 874 N GLU A 64 7.968 13.758 6.470 1.00 0.00 N ATOM 875 CA GLU A 64 6.843 13.247 5.732 1.00 0.00 C ATOM 876 C GLU A 64 6.513 11.849 6.232 1.00 0.00 C ATOM 877 O GLU A 64 7.030 11.413 7.263 1.00 0.00 O ATOM 878 CB GLU A 64 7.188 13.238 4.238 1.00 0.00 C ATOM 879 CG GLU A 64 8.501 12.534 3.926 1.00 0.00 C ATOM 880 CD GLU A 64 9.172 13.071 2.681 1.00 0.00 C ATOM 881 OE1 GLU A 64 9.932 14.054 2.790 1.00 0.00 O ATOM 882 OE2 GLU A 64 8.969 12.500 1.595 1.00 0.00 O ATOM 0 H GLU A 64 8.870 13.498 6.072 1.00 0.00 H new ATOM 0 HA GLU A 64 5.967 13.879 5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.383 12.749 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.241 14.266 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.177 12.644 4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.316 11.467 3.802 1.00 0.00 H new ATOM 889 N ARG A 65 5.664 11.152 5.517 1.00 0.00 N ATOM 890 CA ARG A 65 5.256 9.824 5.916 1.00 0.00 C ATOM 891 C ARG A 65 6.203 8.794 5.325 1.00 0.00 C ATOM 892 O ARG A 65 6.642 8.939 4.183 1.00 0.00 O ATOM 893 CB ARG A 65 3.835 9.562 5.430 1.00 0.00 C ATOM 894 CG ARG A 65 3.150 8.388 6.100 1.00 0.00 C ATOM 895 CD ARG A 65 2.819 8.703 7.546 1.00 0.00 C ATOM 896 NE ARG A 65 1.948 9.873 7.677 1.00 0.00 N ATOM 897 CZ ARG A 65 0.750 9.854 8.264 1.00 0.00 C ATOM 898 NH1 ARG A 65 0.270 8.725 8.777 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.038 10.970 8.342 1.00 0.00 N ATOM 0 H ARG A 65 5.239 11.483 4.651 1.00 0.00 H new ATOM 0 HA ARG A 65 5.285 9.748 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.237 10.458 5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.858 9.388 4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.236 8.139 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.796 7.511 6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.334 7.840 8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.743 8.877 8.098 1.00 0.00 H new ATOM 0 HE ARG A 65 2.278 10.759 7.295 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.818 7.867 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.647 8.717 9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.407 11.838 7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.878 10.960 8.790 1.00 0.00 H new ATOM 913 N SER A 66 6.532 7.773 6.092 1.00 0.00 N ATOM 914 CA SER A 66 7.344 6.694 5.573 1.00 0.00 C ATOM 915 C SER A 66 6.521 5.411 5.545 1.00 0.00 C ATOM 916 O SER A 66 6.229 4.809 6.581 1.00 0.00 O ATOM 917 CB SER A 66 8.625 6.533 6.398 1.00 0.00 C ATOM 918 OG SER A 66 8.340 6.304 7.767 1.00 0.00 O ATOM 0 H SER A 66 6.252 7.669 7.067 1.00 0.00 H new ATOM 0 HA SER A 66 7.651 6.927 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.210 5.702 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.237 7.429 6.298 1.00 0.00 H new ATOM 0 HG SER A 66 8.957 5.630 8.121 1.00 0.00 H new ATOM 924 N VAL A 67 6.110 5.031 4.351 1.00 0.00 N ATOM 925 CA VAL A 67 5.258 3.874 4.161 1.00 0.00 C ATOM 926 C VAL A 67 6.091 2.673 3.762 1.00 0.00 C ATOM 927 O VAL A 67 6.787 2.712 2.752 1.00 0.00 O ATOM 928 CB VAL A 67 4.208 4.145 3.066 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.376 2.906 2.790 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.318 5.312 3.459 1.00 0.00 C ATOM 0 H VAL A 67 6.357 5.514 3.487 1.00 0.00 H new ATOM 0 HA VAL A 67 4.748 3.671 5.103 1.00 0.00 H new ATOM 0 HB VAL A 67 4.735 4.406 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.643 3.125 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.027 2.098 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.860 2.604 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.583 5.489 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.804 5.080 4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.928 6.205 3.593 1.00 0.00 H new ATOM 940 N SER A 68 6.029 1.612 4.545 1.00 0.00 N ATOM 941 CA SER A 68 6.798 0.428 4.230 1.00 0.00 C ATOM 942 C SER A 68 6.015 -0.519 3.342 1.00 0.00 C ATOM 943 O SER A 68 4.876 -0.881 3.637 1.00 0.00 O ATOM 944 CB SER A 68 7.227 -0.308 5.482 1.00 0.00 C ATOM 945 OG SER A 68 8.033 0.511 6.314 1.00 0.00 O ATOM 0 H SER A 68 5.463 1.547 5.391 1.00 0.00 H new ATOM 0 HA SER A 68 7.686 0.767 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.346 -0.634 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.781 -1.206 5.206 1.00 0.00 H new ATOM 0 HG SER A 68 8.416 1.241 5.783 1.00 0.00 H new ATOM 951 N LEU A 69 6.646 -0.905 2.254 1.00 0.00 N ATOM 952 CA LEU A 69 6.058 -1.808 1.289 1.00 0.00 C ATOM 953 C LEU A 69 6.691 -3.196 1.375 1.00 0.00 C ATOM 954 O LEU A 69 7.872 -3.362 1.063 1.00 0.00 O ATOM 955 CB LEU A 69 6.273 -1.253 -0.113 1.00 0.00 C ATOM 956 CG LEU A 69 5.404 -0.059 -0.527 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.931 -0.423 -0.476 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.676 1.162 0.332 1.00 0.00 C ATOM 0 H LEU A 69 7.588 -0.599 2.013 1.00 0.00 H new ATOM 0 HA LEU A 69 4.994 -1.897 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.319 -0.960 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.104 -2.059 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 69 5.669 0.193 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.333 0.438 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.737 -1.252 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.664 -0.717 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.040 1.985 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.461 0.928 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.722 1.451 0.233 1.00 0.00 H new ATOM 970 N THR A 70 5.919 -4.185 1.815 1.00 0.00 N ATOM 971 CA THR A 70 6.379 -5.573 1.827 1.00 0.00 C ATOM 972 C THR A 70 5.196 -6.541 1.679 1.00 0.00 C ATOM 973 O THR A 70 4.111 -6.272 2.188 1.00 0.00 O ATOM 974 CB THR A 70 7.155 -5.890 3.121 1.00 0.00 C ATOM 975 OG1 THR A 70 8.277 -5.005 3.243 1.00 0.00 O ATOM 976 CG2 THR A 70 7.646 -7.322 3.118 1.00 0.00 C ATOM 0 H THR A 70 4.971 -4.053 2.168 1.00 0.00 H new ATOM 0 HA THR A 70 7.051 -5.704 0.979 1.00 0.00 H new ATOM 0 HB THR A 70 6.481 -5.752 3.966 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.342 -4.447 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.190 -7.522 4.041 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.794 -7.998 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.307 -7.478 2.266 1.00 0.00 H new ATOM 984 N GLY A 71 5.395 -7.649 0.967 1.00 0.00 N ATOM 985 CA GLY A 71 4.334 -8.629 0.805 1.00 0.00 C ATOM 986 C GLY A 71 4.661 -9.665 -0.252 1.00 0.00 C ATOM 987 O GLY A 71 5.827 -9.925 -0.527 1.00 0.00 O ATOM 0 H GLY A 71 6.271 -7.885 0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.156 -9.129 1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.409 -8.118 0.536 1.00 0.00 H new ATOM 991 N ALA A 72 3.633 -10.263 -0.839 1.00 0.00 N ATOM 992 CA ALA A 72 3.825 -11.231 -1.909 1.00 0.00 C ATOM 993 C ALA A 72 4.104 -10.491 -3.214 1.00 0.00 C ATOM 994 O ALA A 72 3.804 -9.306 -3.309 1.00 0.00 O ATOM 995 CB ALA A 72 2.601 -12.129 -2.026 1.00 0.00 C ATOM 0 H ALA A 72 2.658 -10.094 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 72 4.681 -11.868 -1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.754 -12.850 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.448 -12.660 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.724 -11.521 -2.246 1.00 0.00 H new ATOM 1001 N PRO A 73 4.686 -11.164 -4.225 1.00 0.00 N ATOM 1002 CA PRO A 73 5.117 -10.512 -5.474 1.00 0.00 C ATOM 1003 C PRO A 73 4.057 -9.590 -6.077 1.00 0.00 C ATOM 1004 O PRO A 73 4.325 -8.417 -6.349 1.00 0.00 O ATOM 1005 CB PRO A 73 5.399 -11.687 -6.405 1.00 0.00 C ATOM 1006 CG PRO A 73 5.780 -12.803 -5.494 1.00 0.00 C ATOM 1007 CD PRO A 73 4.969 -12.613 -4.242 1.00 0.00 C ATOM 0 HA PRO A 73 5.974 -9.860 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.521 -11.942 -6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.202 -11.455 -7.105 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.569 -13.769 -5.952 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.847 -12.780 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.051 -13.200 -4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.522 -12.923 -3.356 1.00 0.00 H new ATOM 1015 N GLU A 74 2.857 -10.121 -6.272 1.00 0.00 N ATOM 1016 CA GLU A 74 1.759 -9.342 -6.825 1.00 0.00 C ATOM 1017 C GLU A 74 1.240 -8.352 -5.792 1.00 0.00 C ATOM 1018 O GLU A 74 0.946 -7.202 -6.110 1.00 0.00 O ATOM 1019 CB GLU A 74 0.630 -10.276 -7.279 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.627 -9.562 -7.761 1.00 0.00 C ATOM 1021 CD GLU A 74 -0.385 -8.675 -8.964 1.00 0.00 C ATOM 1022 OE1 GLU A 74 0.203 -9.159 -9.952 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -0.811 -7.501 -8.937 1.00 0.00 O ATOM 0 H GLU A 74 2.620 -11.089 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 74 2.124 -8.784 -7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.002 -10.911 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.364 -10.933 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.385 -10.304 -8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.029 -8.958 -6.947 1.00 0.00 H new ATOM 1030 N SER A 75 1.157 -8.803 -4.551 1.00 0.00 N ATOM 1031 CA SER A 75 0.630 -7.995 -3.466 1.00 0.00 C ATOM 1032 C SER A 75 1.447 -6.723 -3.271 1.00 0.00 C ATOM 1033 O SER A 75 0.898 -5.621 -3.220 1.00 0.00 O ATOM 1034 CB SER A 75 0.637 -8.816 -2.181 1.00 0.00 C ATOM 1035 OG SER A 75 0.155 -10.126 -2.423 1.00 0.00 O ATOM 0 H SER A 75 1.453 -9.738 -4.269 1.00 0.00 H new ATOM 0 HA SER A 75 -0.389 -7.701 -3.718 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.649 -8.864 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.018 -8.328 -1.428 1.00 0.00 H new ATOM 0 HG SER A 75 -0.824 -10.125 -2.391 1.00 0.00 H new ATOM 1041 N VAL A 76 2.759 -6.879 -3.187 1.00 0.00 N ATOM 1042 CA VAL A 76 3.644 -5.764 -2.907 1.00 0.00 C ATOM 1043 C VAL A 76 3.714 -4.816 -4.103 1.00 0.00 C ATOM 1044 O VAL A 76 3.883 -3.610 -3.940 1.00 0.00 O ATOM 1045 CB VAL A 76 5.056 -6.256 -2.504 1.00 0.00 C ATOM 1046 CG1 VAL A 76 5.884 -6.663 -3.713 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.769 -5.204 -1.671 1.00 0.00 C ATOM 0 H VAL A 76 3.235 -7.773 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 76 3.233 -5.213 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 76 4.933 -7.150 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.867 -7.001 -3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.381 -7.471 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.999 -5.808 -4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.760 -5.567 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.866 -4.286 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.193 -5.004 -0.767 1.00 0.00 H new ATOM 1057 N GLN A 77 3.546 -5.363 -5.303 1.00 0.00 N ATOM 1058 CA GLN A 77 3.528 -4.555 -6.513 1.00 0.00 C ATOM 1059 C GLN A 77 2.211 -3.788 -6.607 1.00 0.00 C ATOM 1060 O GLN A 77 2.177 -2.633 -7.033 1.00 0.00 O ATOM 1061 CB GLN A 77 3.720 -5.443 -7.743 1.00 0.00 C ATOM 1062 CG GLN A 77 3.729 -4.681 -9.056 1.00 0.00 C ATOM 1063 CD GLN A 77 4.028 -5.575 -10.242 1.00 0.00 C ATOM 1064 OE1 GLN A 77 4.765 -6.555 -10.123 1.00 0.00 O ATOM 1065 NE2 GLN A 77 3.453 -5.253 -11.391 1.00 0.00 N ATOM 0 H GLN A 77 3.421 -6.363 -5.461 1.00 0.00 H new ATOM 0 HA GLN A 77 4.348 -3.838 -6.474 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.659 -5.987 -7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.923 -6.186 -7.771 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.761 -4.202 -9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.474 -3.887 -9.007 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.849 -4.433 -11.447 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.614 -5.825 -12.220 1.00 0.00 H new ATOM 1074 N LYS A 78 1.133 -4.444 -6.198 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.191 -3.836 -6.170 1.00 0.00 C ATOM 1076 C LYS A 78 -0.205 -2.660 -5.195 1.00 0.00 C ATOM 1077 O LYS A 78 -0.685 -1.565 -5.511 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.224 -4.889 -5.747 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.674 -4.472 -5.938 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.302 -5.086 -7.190 1.00 0.00 C ATOM 1081 CE LYS A 78 -2.813 -4.450 -8.489 1.00 0.00 C ATOM 1082 NZ LYS A 78 -1.469 -4.934 -8.909 1.00 0.00 N ATOM 0 H LYS A 78 1.152 -5.412 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.442 -3.465 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.045 -5.802 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.066 -5.131 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.252 -4.769 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.730 -3.385 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.082 -6.153 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.386 -4.985 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.531 -4.659 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.780 -3.367 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.465 -5.099 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.752 -4.219 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.250 -5.823 -8.415 1.00 0.00 H new ATOM 1096 N ALA A 79 0.339 -2.893 -4.013 1.00 0.00 N ATOM 1097 CA ALA A 79 0.466 -1.849 -3.015 1.00 0.00 C ATOM 1098 C ALA A 79 1.279 -0.682 -3.565 1.00 0.00 C ATOM 1099 O ALA A 79 0.865 0.475 -3.485 1.00 0.00 O ATOM 1100 CB ALA A 79 1.121 -2.405 -1.765 1.00 0.00 C ATOM 0 H ALA A 79 0.701 -3.801 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.529 -1.485 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.213 -1.615 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.510 -3.213 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.111 -2.787 -2.012 1.00 0.00 H new ATOM 1106 N LYS A 80 2.424 -1.001 -4.156 1.00 0.00 N ATOM 1107 CA LYS A 80 3.321 0.016 -4.685 1.00 0.00 C ATOM 1108 C LYS A 80 2.740 0.731 -5.899 1.00 0.00 C ATOM 1109 O LYS A 80 3.170 1.832 -6.214 1.00 0.00 O ATOM 1110 CB LYS A 80 4.683 -0.574 -5.037 1.00 0.00 C ATOM 1111 CG LYS A 80 5.497 -0.993 -3.824 1.00 0.00 C ATOM 1112 CD LYS A 80 6.925 -1.337 -4.206 1.00 0.00 C ATOM 1113 CE LYS A 80 6.977 -2.449 -5.241 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.350 -2.635 -5.778 1.00 0.00 N ATOM 0 H LYS A 80 2.753 -1.958 -4.281 1.00 0.00 H new ATOM 0 HA LYS A 80 3.446 0.753 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.538 -1.440 -5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.251 0.160 -5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.499 -0.187 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.028 -1.855 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.420 -0.450 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.477 -1.641 -3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.632 -3.381 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.294 -2.218 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.347 -3.401 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.669 -1.753 -6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.996 -2.880 -5.001 1.00 0.00 H new ATOM 1128 N MET A 81 1.790 0.121 -6.602 1.00 0.00 N ATOM 1129 CA MET A 81 1.176 0.809 -7.736 1.00 0.00 C ATOM 1130 C MET A 81 0.302 1.948 -7.227 1.00 0.00 C ATOM 1131 O MET A 81 0.244 3.015 -7.836 1.00 0.00 O ATOM 1132 CB MET A 81 0.359 -0.136 -8.637 1.00 0.00 C ATOM 1133 CG MET A 81 -1.045 -0.438 -8.132 1.00 0.00 C ATOM 1134 SD MET A 81 -2.071 -1.273 -9.355 1.00 0.00 S ATOM 1135 CE MET A 81 -2.234 0.017 -10.587 1.00 0.00 C ATOM 0 H MET A 81 1.437 -0.818 -6.417 1.00 0.00 H new ATOM 0 HA MET A 81 1.982 1.205 -8.354 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.286 0.304 -9.631 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.902 -1.075 -8.743 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.978 -1.058 -7.238 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.527 0.494 -7.837 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.139 -0.151 -11.172 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.296 0.986 -10.093 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.367 0.001 -11.247 1.00 0.00 H new ATOM 1145 N MET A 82 -0.360 1.724 -6.092 1.00 0.00 N ATOM 1146 CA MET A 82 -1.153 2.775 -5.464 1.00 0.00 C ATOM 1147 C MET A 82 -0.236 3.845 -4.879 1.00 0.00 C ATOM 1148 O MET A 82 -0.508 5.040 -4.980 1.00 0.00 O ATOM 1149 CB MET A 82 -2.060 2.204 -4.370 1.00 0.00 C ATOM 1150 CG MET A 82 -3.183 1.325 -4.899 1.00 0.00 C ATOM 1151 SD MET A 82 -4.246 2.192 -6.072 1.00 0.00 S ATOM 1152 CE MET A 82 -5.430 0.904 -6.466 1.00 0.00 C ATOM 0 H MET A 82 -0.362 0.833 -5.595 1.00 0.00 H new ATOM 0 HA MET A 82 -1.786 3.224 -6.229 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.454 1.623 -3.675 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.493 3.028 -3.803 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.755 0.446 -5.382 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.785 0.968 -4.063 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.685 0.956 -7.524 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.994 -0.071 -6.245 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.331 1.043 -5.868 1.00 0.00 H new ATOM 1162 N LEU A 83 0.862 3.399 -4.284 1.00 0.00 N ATOM 1163 CA LEU A 83 1.844 4.303 -3.695 1.00 0.00 C ATOM 1164 C LEU A 83 2.500 5.170 -4.760 1.00 0.00 C ATOM 1165 O LEU A 83 2.446 6.391 -4.686 1.00 0.00 O ATOM 1166 CB LEU A 83 2.916 3.516 -2.925 1.00 0.00 C ATOM 1167 CG LEU A 83 2.662 3.321 -1.423 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.642 4.663 -0.708 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.360 2.573 -1.178 1.00 0.00 C ATOM 0 H LEU A 83 1.097 2.410 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 83 1.317 4.954 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.018 2.534 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.871 4.027 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 83 3.478 2.720 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.461 4.506 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.602 5.161 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.849 5.285 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.207 2.450 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.530 3.139 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.409 1.593 -1.652 1.00 0.00 H new ATOM 1181 N ASP A 84 3.096 4.530 -5.756 1.00 0.00 N ATOM 1182 CA ASP A 84 3.804 5.233 -6.825 1.00 0.00 C ATOM 1183 C ASP A 84 2.880 6.228 -7.514 1.00 0.00 C ATOM 1184 O ASP A 84 3.300 7.313 -7.902 1.00 0.00 O ATOM 1185 CB ASP A 84 4.354 4.227 -7.842 1.00 0.00 C ATOM 1186 CG ASP A 84 5.247 4.859 -8.895 1.00 0.00 C ATOM 1187 OD1 ASP A 84 6.383 5.258 -8.559 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.829 4.929 -10.068 1.00 0.00 O ATOM 0 H ASP A 84 3.105 3.514 -5.849 1.00 0.00 H new ATOM 0 HA ASP A 84 4.637 5.783 -6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.917 3.458 -7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.520 3.728 -8.336 1.00 0.00 H new ATOM 1193 N ASP A 85 1.611 5.861 -7.627 1.00 0.00 N ATOM 1194 CA ASP A 85 0.615 6.715 -8.258 1.00 0.00 C ATOM 1195 C ASP A 85 0.452 8.039 -7.505 1.00 0.00 C ATOM 1196 O ASP A 85 0.626 9.120 -8.078 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.726 5.980 -8.347 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.814 6.804 -9.009 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -1.552 7.396 -10.079 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.948 6.840 -8.479 1.00 0.00 O ATOM 0 H ASP A 85 1.245 4.971 -7.287 1.00 0.00 H new ATOM 0 HA ASP A 85 0.961 6.950 -9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.589 5.054 -8.905 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.049 5.702 -7.344 1.00 0.00 H new ATOM 1205 N ILE A 86 0.151 7.957 -6.219 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.100 9.152 -5.422 1.00 0.00 C ATOM 1207 C ILE A 86 1.198 9.880 -5.085 1.00 0.00 C ATOM 1208 O ILE A 86 1.254 11.111 -5.088 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.894 8.826 -4.133 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.377 8.658 -4.463 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.716 9.900 -3.069 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.699 7.381 -5.205 1.00 0.00 C ATOM 0 H ILE A 86 0.074 7.080 -5.704 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.713 9.817 -6.031 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.500 7.893 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.950 8.682 -3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.704 9.507 -5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.290 9.632 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.339 9.982 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.070 10.856 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.770 7.335 -5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.155 7.362 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.405 6.524 -4.599 1.00 0.00 H new ATOM 1224 N VAL A 87 2.245 9.126 -4.829 1.00 0.00 N ATOM 1225 CA VAL A 87 3.525 9.716 -4.494 1.00 0.00 C ATOM 1226 C VAL A 87 4.121 10.441 -5.697 1.00 0.00 C ATOM 1227 O VAL A 87 4.771 11.465 -5.546 1.00 0.00 O ATOM 1228 CB VAL A 87 4.511 8.665 -3.951 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.891 9.270 -3.748 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.993 8.095 -2.643 1.00 0.00 C ATOM 0 H VAL A 87 2.237 8.106 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 87 3.350 10.445 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 87 4.595 7.862 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.569 8.508 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.268 9.645 -4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.827 10.091 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.696 7.352 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.887 8.898 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.024 7.625 -2.809 1.00 0.00 H new ATOM 1240 N SER A 88 3.876 9.942 -6.895 1.00 0.00 N ATOM 1241 CA SER A 88 4.351 10.623 -8.089 1.00 0.00 C ATOM 1242 C SER A 88 3.562 11.914 -8.313 1.00 0.00 C ATOM 1243 O SER A 88 4.132 12.938 -8.684 1.00 0.00 O ATOM 1244 CB SER A 88 4.247 9.711 -9.317 1.00 0.00 C ATOM 1245 OG SER A 88 4.728 10.356 -10.488 1.00 0.00 O ATOM 0 H SER A 88 3.359 9.080 -7.068 1.00 0.00 H new ATOM 0 HA SER A 88 5.401 10.876 -7.943 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.817 8.799 -9.143 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.208 9.415 -9.464 1.00 0.00 H new ATOM 0 HG SER A 88 4.649 9.748 -11.252 1.00 0.00 H new ATOM 1251 N ARG A 89 2.256 11.873 -8.047 1.00 0.00 N ATOM 1252 CA ARG A 89 1.396 13.029 -8.299 1.00 0.00 C ATOM 1253 C ARG A 89 1.536 14.090 -7.204 1.00 0.00 C ATOM 1254 O ARG A 89 1.084 15.223 -7.371 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.078 12.606 -8.438 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.720 12.094 -7.154 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.196 11.795 -7.351 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.954 12.995 -7.697 1.00 0.00 N ATOM 1259 CZ ARG A 89 -4.049 12.992 -8.455 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -4.552 11.843 -8.890 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.649 14.137 -8.762 1.00 0.00 N ATOM 0 H ARG A 89 1.775 11.061 -7.661 1.00 0.00 H new ATOM 0 HA ARG A 89 1.724 13.469 -9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.653 13.458 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.148 11.828 -9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.206 11.192 -6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.600 12.836 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.314 11.052 -8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.603 11.359 -6.439 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.624 13.890 -7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.100 10.963 -8.644 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.391 11.841 -9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.271 15.019 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.488 14.134 -9.343 1.00 0.00 H new ATOM 1275 N GLY A 90 2.160 13.727 -6.087 1.00 0.00 N ATOM 1276 CA GLY A 90 2.272 14.660 -4.976 1.00 0.00 C ATOM 1277 C GLY A 90 3.704 14.972 -4.572 1.00 0.00 C ATOM 1278 O GLY A 90 3.956 15.985 -3.924 1.00 0.00 O ATOM 0 H GLY A 90 2.586 12.814 -5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.770 15.590 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.744 14.249 -4.115 1.00 0.00 H new ATOM 1282 N ARG A 91 4.637 14.106 -4.936 1.00 0.00 N ATOM 1283 CA ARG A 91 6.037 14.286 -4.556 1.00 0.00 C ATOM 1284 C ARG A 91 6.905 14.494 -5.794 1.00 0.00 C ATOM 1285 O ARG A 91 7.965 15.115 -5.728 1.00 0.00 O ATOM 1286 CB ARG A 91 6.539 13.063 -3.776 1.00 0.00 C ATOM 1287 CG ARG A 91 7.829 13.308 -3.014 1.00 0.00 C ATOM 1288 CD ARG A 91 8.459 12.009 -2.525 1.00 0.00 C ATOM 1289 NE ARG A 91 9.203 11.325 -3.590 1.00 0.00 N ATOM 1290 CZ ARG A 91 9.455 10.012 -3.609 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.018 9.230 -2.629 1.00 0.00 N ATOM 1292 NH2 ARG A 91 10.155 9.478 -4.607 1.00 0.00 N ATOM 0 H ARG A 91 4.455 13.271 -5.493 1.00 0.00 H new ATOM 0 HA ARG A 91 6.107 15.169 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.767 12.750 -3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.690 12.237 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.535 13.834 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.629 13.957 -2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.130 12.222 -1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.680 11.348 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 91 9.550 11.888 -4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.487 9.630 -1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.214 8.229 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.502 10.071 -5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.345 8.476 -4.618 1.00 0.00 H new