USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 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 18 GLN : amide:sc= 1.23 X(o=2.2,f=1.9) USER MOD Set 1.2: A 50 TYR OH : rot -90:sc= 0.944 USER MOD Single : A 5 TYR OH : rot 106:sc= 0.0769 USER MOD Single : A 11 THR OG1 : rot 39:sc= -0.965 USER MOD Single : A 23 ASN : amide:sc= -2.17 K(o=-2.2,f=-10!) USER MOD Single : A 26 TYR OH : rot -172:sc= 0.435 USER MOD Single : A 37 TYR OH : rot 100:sc= -0.0441 USER MOD Single : A 38 GLN : amide:sc= -2.39 K(o=-2.4,f=-4.3!) USER MOD Single : A 41 TYR OH : rot 14:sc= -0.141 USER MOD Single : A 47 HIS : no HD1:sc= -2.03 X(o=-2,f=-2) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.278 F(o=-1,f=-0.28) USER MOD Single : A 54 THR OG1 : rot -50:sc= 0.953 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.045) USER MOD Single : A 69 HIS : no HD1:sc= -0.836 X(o=-0.84,f=-0.98) USER MOD Single : A 70 HIS : no HD1:sc= -5.47! C(o=-5.5!,f=-9.4!) USER MOD Single : A 73 MET CE :methyl -164:sc= -0.0572 (180deg=-0.44) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.102 USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 4 -1.166 -1.542 -11.295 1.00 0.00 N ATOM 56 CA PRO A 4 0.030 -1.010 -10.630 1.00 0.00 C ATOM 57 C PRO A 4 -0.025 0.500 -10.432 1.00 0.00 C ATOM 58 O PRO A 4 -0.787 1.198 -11.101 1.00 0.00 O ATOM 59 CB PRO A 4 1.155 -1.375 -11.598 1.00 0.00 C ATOM 60 CG PRO A 4 0.678 -2.613 -12.272 1.00 0.00 C ATOM 61 CD PRO A 4 -0.817 -2.474 -12.388 1.00 0.00 C ATOM 0 HA PRO A 4 0.150 -1.419 -9.627 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.335 -0.576 -12.317 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.093 -1.546 -11.070 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.137 -2.724 -13.255 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.944 -3.499 -11.695 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.108 -2.078 -13.361 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.319 -3.434 -12.271 1.00 0.00 H new ATOM 69 N TYR A 5 0.799 0.996 -9.516 1.00 0.00 N ATOM 70 CA TYR A 5 0.862 2.425 -9.235 1.00 0.00 C ATOM 71 C TYR A 5 2.304 2.869 -9.099 1.00 0.00 C ATOM 72 O TYR A 5 2.711 3.878 -9.673 1.00 0.00 O ATOM 73 CB TYR A 5 0.101 2.770 -7.954 1.00 0.00 C ATOM 74 CG TYR A 5 -1.279 3.316 -8.216 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.265 2.518 -8.777 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.591 4.634 -7.921 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.526 3.018 -9.036 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.850 5.144 -8.172 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.814 4.332 -8.731 1.00 0.00 C ATOM 80 OH TYR A 5 -5.069 4.834 -8.986 1.00 0.00 O ATOM 0 H TYR A 5 1.434 0.428 -8.955 1.00 0.00 H new ATOM 0 HA TYR A 5 0.395 2.949 -10.069 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.020 1.877 -7.334 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.673 3.502 -7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.043 1.488 -9.015 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.836 5.273 -7.487 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.282 2.384 -9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.078 6.172 -7.932 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.557 4.939 -8.143 1.00 0.00 H new ATOM 90 N VAL A 6 3.075 2.100 -8.340 1.00 0.00 N ATOM 91 CA VAL A 6 4.479 2.414 -8.134 1.00 0.00 C ATOM 92 C VAL A 6 4.650 3.785 -7.486 1.00 0.00 C ATOM 93 O VAL A 6 4.139 4.788 -7.984 1.00 0.00 O ATOM 94 CB VAL A 6 5.241 2.389 -9.466 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.737 2.534 -9.238 1.00 0.00 C ATOM 96 CG2 VAL A 6 4.928 1.111 -10.226 1.00 0.00 C ATOM 0 H VAL A 6 2.752 1.260 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 6 4.887 1.654 -7.467 1.00 0.00 H new ATOM 0 HB VAL A 6 4.914 3.237 -10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.255 2.513 -10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.939 3.481 -8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.092 1.712 -8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.475 1.105 -11.169 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.227 0.250 -9.628 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.858 1.060 -10.427 1.00 0.00 H new ATOM 106 N GLY A 7 5.364 3.821 -6.369 1.00 0.00 N ATOM 107 CA GLY A 7 5.579 5.070 -5.669 1.00 0.00 C ATOM 108 C GLY A 7 5.910 4.860 -4.208 1.00 0.00 C ATOM 109 O GLY A 7 5.439 3.904 -3.597 1.00 0.00 O ATOM 0 H GLY A 7 5.798 3.006 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.391 5.617 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.685 5.689 -5.751 1.00 0.00 H new ATOM 113 N ILE A 8 6.713 5.752 -3.639 1.00 0.00 N ATOM 114 CA ILE A 8 7.080 5.638 -2.235 1.00 0.00 C ATOM 115 C ILE A 8 6.142 6.468 -1.380 1.00 0.00 C ATOM 116 O ILE A 8 6.311 7.674 -1.226 1.00 0.00 O ATOM 117 CB ILE A 8 8.543 6.052 -1.988 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.467 5.070 -2.722 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.847 6.098 -0.489 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.521 4.412 -1.852 1.00 0.00 C ATOM 0 H ILE A 8 7.118 6.553 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 8 6.987 4.589 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 8 8.713 7.056 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.856 4.291 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.966 5.600 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.885 6.392 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.190 6.822 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.682 5.112 -0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.124 3.737 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.162 5.178 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.035 3.848 -1.056 1.00 0.00 H new ATOM 132 N TRP A 9 5.142 5.799 -0.838 1.00 0.00 N ATOM 133 CA TRP A 9 4.146 6.446 -0.003 1.00 0.00 C ATOM 134 C TRP A 9 4.585 6.443 1.455 1.00 0.00 C ATOM 135 O TRP A 9 4.581 5.407 2.118 1.00 0.00 O ATOM 136 CB TRP A 9 2.795 5.747 -0.181 1.00 0.00 C ATOM 137 CG TRP A 9 2.407 5.603 -1.630 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.950 4.745 -2.545 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.407 6.353 -2.332 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.346 4.908 -3.771 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.394 5.890 -3.664 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.518 7.366 -1.963 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.528 6.408 -4.623 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.340 7.879 -2.918 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.329 7.400 -4.233 1.00 0.00 C ATOM 0 H TRP A 9 4.997 4.797 -0.963 1.00 0.00 H new ATOM 0 HA TRP A 9 4.040 7.487 -0.309 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.836 4.760 0.281 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.025 6.312 0.344 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.741 4.040 -2.336 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.569 4.386 -4.618 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.501 7.741 -0.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.533 6.040 -5.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.031 8.663 -2.645 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.012 7.823 -4.955 1.00 0.00 H new ATOM 156 N VAL A 10 4.985 7.616 1.935 1.00 0.00 N ATOM 157 CA VAL A 10 5.455 7.768 3.304 1.00 0.00 C ATOM 158 C VAL A 10 4.475 8.584 4.140 1.00 0.00 C ATOM 159 O VAL A 10 3.695 9.377 3.612 1.00 0.00 O ATOM 160 CB VAL A 10 6.846 8.443 3.330 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.274 8.780 4.753 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.881 7.552 2.659 1.00 0.00 C ATOM 0 H VAL A 10 4.992 8.479 1.391 1.00 0.00 H new ATOM 0 HA VAL A 10 5.531 6.770 3.736 1.00 0.00 H new ATOM 0 HB VAL A 10 6.774 9.378 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.256 9.253 4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.550 9.462 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.322 7.866 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.855 8.041 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.939 6.600 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.592 7.375 1.623 1.00 0.00 H new ATOM 172 N THR A 11 4.524 8.373 5.448 1.00 0.00 N ATOM 173 CA THR A 11 3.648 9.074 6.378 1.00 0.00 C ATOM 174 C THR A 11 4.010 10.556 6.469 1.00 0.00 C ATOM 175 O THR A 11 5.020 10.993 5.919 1.00 0.00 O ATOM 176 CB THR A 11 3.731 8.422 7.757 1.00 0.00 C ATOM 177 OG1 THR A 11 5.030 7.903 7.984 1.00 0.00 O ATOM 178 CG2 THR A 11 2.748 7.286 7.935 1.00 0.00 C ATOM 0 H THR A 11 5.166 7.717 5.892 1.00 0.00 H new ATOM 0 HA THR A 11 2.626 9.003 6.007 1.00 0.00 H new ATOM 0 HB THR A 11 3.488 9.210 8.470 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.697 8.519 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.856 6.864 8.934 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.732 7.660 7.807 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.946 6.514 7.192 1.00 0.00 H new ATOM 186 N ALA A 12 3.175 11.324 7.164 1.00 0.00 N ATOM 187 CA ALA A 12 3.401 12.758 7.324 1.00 0.00 C ATOM 188 C ALA A 12 4.543 13.044 8.297 1.00 0.00 C ATOM 189 O ALA A 12 5.115 14.134 8.290 1.00 0.00 O ATOM 190 CB ALA A 12 2.123 13.447 7.788 1.00 0.00 C ATOM 0 H ALA A 12 2.335 10.977 7.626 1.00 0.00 H new ATOM 0 HA ALA A 12 3.688 13.158 6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.307 14.515 7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.337 13.291 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.810 13.028 8.744 1.00 0.00 H new ATOM 196 N ASP A 13 4.870 12.065 9.135 1.00 0.00 N ATOM 197 CA ASP A 13 5.942 12.226 10.110 1.00 0.00 C ATOM 198 C ASP A 13 7.193 11.461 9.688 1.00 0.00 C ATOM 199 O ASP A 13 8.284 11.708 10.202 1.00 0.00 O ATOM 200 CB ASP A 13 5.481 11.749 11.488 1.00 0.00 C ATOM 201 CG ASP A 13 4.920 12.877 12.333 1.00 0.00 C ATOM 202 OD1 ASP A 13 4.054 13.622 11.828 1.00 0.00 O ATOM 203 OD2 ASP A 13 5.348 13.017 13.497 1.00 0.00 O ATOM 0 H ASP A 13 4.410 11.155 9.158 1.00 0.00 H new ATOM 0 HA ASP A 13 6.191 13.286 10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.721 10.977 11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.321 11.290 12.010 1.00 0.00 H new ATOM 208 N GLY A 14 7.031 10.527 8.753 1.00 0.00 N ATOM 209 CA GLY A 14 8.159 9.742 8.292 1.00 0.00 C ATOM 210 C GLY A 14 8.458 8.572 9.208 1.00 0.00 C ATOM 211 O GLY A 14 9.543 7.993 9.150 1.00 0.00 O ATOM 0 H GLY A 14 6.141 10.302 8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.955 9.371 7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.039 10.381 8.223 1.00 0.00 H new ATOM 215 N ARG A 15 7.492 8.219 10.052 1.00 0.00 N ATOM 216 CA ARG A 15 7.665 7.101 10.979 1.00 0.00 C ATOM 217 C ARG A 15 7.673 5.778 10.217 1.00 0.00 C ATOM 218 O ARG A 15 8.221 4.783 10.690 1.00 0.00 O ATOM 219 CB ARG A 15 6.585 7.074 12.078 1.00 0.00 C ATOM 220 CG ARG A 15 5.510 8.146 11.954 1.00 0.00 C ATOM 221 CD ARG A 15 4.564 7.855 10.802 1.00 0.00 C ATOM 222 NE ARG A 15 3.168 7.807 11.232 1.00 0.00 N ATOM 223 CZ ARG A 15 2.600 6.747 11.803 1.00 0.00 C ATOM 224 NH1 ARG A 15 3.300 5.640 12.014 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.324 6.793 12.163 1.00 0.00 N ATOM 0 H ARG A 15 6.587 8.686 10.114 1.00 0.00 H new ATOM 0 HA ARG A 15 8.626 7.242 11.474 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.104 6.096 12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.072 7.180 13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.945 8.205 12.884 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.980 9.118 11.804 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.680 8.622 10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.834 6.904 10.344 1.00 0.00 H new ATOM 0 HE ARG A 15 2.593 8.637 11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.281 5.597 11.738 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.857 4.832 12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.779 7.640 12.002 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.888 5.981 12.601 1.00 0.00 H new ATOM 239 N ILE A 16 7.070 5.779 9.032 1.00 0.00 N ATOM 240 CA ILE A 16 7.019 4.582 8.201 1.00 0.00 C ATOM 241 C ILE A 16 7.039 4.955 6.723 1.00 0.00 C ATOM 242 O ILE A 16 6.669 6.067 6.351 1.00 0.00 O ATOM 243 CB ILE A 16 5.780 3.702 8.519 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.622 3.970 7.548 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.321 3.925 9.950 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.540 2.963 6.420 1.00 0.00 C ATOM 0 H ILE A 16 6.611 6.594 8.627 1.00 0.00 H new ATOM 0 HA ILE A 16 7.906 3.992 8.431 1.00 0.00 H new ATOM 0 HB ILE A 16 6.083 2.662 8.397 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.683 3.962 8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.734 4.969 7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.452 3.300 10.155 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.127 3.662 10.636 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.055 4.973 10.088 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.700 3.211 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.464 2.987 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.397 1.965 6.833 1.00 0.00 H new ATOM 258 N ARG A 17 7.475 4.025 5.889 1.00 0.00 N ATOM 259 CA ARG A 17 7.545 4.260 4.454 1.00 0.00 C ATOM 260 C ARG A 17 7.054 3.039 3.681 1.00 0.00 C ATOM 261 O ARG A 17 7.471 1.913 3.955 1.00 0.00 O ATOM 262 CB ARG A 17 8.986 4.627 4.060 1.00 0.00 C ATOM 263 CG ARG A 17 9.529 3.891 2.844 1.00 0.00 C ATOM 264 CD ARG A 17 11.030 4.081 2.709 1.00 0.00 C ATOM 265 NE ARG A 17 11.777 3.163 3.566 1.00 0.00 N ATOM 266 CZ ARG A 17 13.060 2.863 3.388 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.745 3.407 2.390 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.664 2.018 4.213 1.00 0.00 N ATOM 0 H ARG A 17 7.786 3.099 6.181 1.00 0.00 H new ATOM 0 HA ARG A 17 6.891 5.093 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.032 5.699 3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.640 4.427 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.301 2.828 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.032 4.254 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.323 3.927 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.290 5.108 2.965 1.00 0.00 H new ATOM 0 HE ARG A 17 11.286 2.727 4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.287 4.060 1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.729 3.172 2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.144 1.598 4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.648 1.788 4.077 1.00 0.00 H new ATOM 282 N GLN A 18 6.168 3.268 2.717 1.00 0.00 N ATOM 283 CA GLN A 18 5.623 2.186 1.907 1.00 0.00 C ATOM 284 C GLN A 18 5.960 2.383 0.435 1.00 0.00 C ATOM 285 O GLN A 18 5.473 3.317 -0.203 1.00 0.00 O ATOM 286 CB GLN A 18 4.108 2.095 2.097 1.00 0.00 C ATOM 287 CG GLN A 18 3.503 0.817 1.541 1.00 0.00 C ATOM 288 CD GLN A 18 2.023 0.956 1.241 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.629 1.673 0.321 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.194 0.271 2.020 1.00 0.00 N ATOM 0 H GLN A 18 5.812 4.194 2.478 1.00 0.00 H new ATOM 0 HA GLN A 18 6.078 1.252 2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.878 2.164 3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.637 2.951 1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.030 0.536 0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.651 0.008 2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.564 -0.311 2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.187 0.327 1.867 1.00 0.00 H new ATOM 299 N GLU A 19 6.801 1.500 -0.101 1.00 0.00 N ATOM 300 CA GLU A 19 7.201 1.589 -1.499 1.00 0.00 C ATOM 301 C GLU A 19 6.300 0.753 -2.384 1.00 0.00 C ATOM 302 O GLU A 19 6.132 -0.447 -2.166 1.00 0.00 O ATOM 303 CB GLU A 19 8.648 1.121 -1.687 1.00 0.00 C ATOM 304 CG GLU A 19 9.108 1.120 -3.136 1.00 0.00 C ATOM 305 CD GLU A 19 10.584 0.806 -3.280 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.053 -0.154 -2.633 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.272 1.522 -4.036 1.00 0.00 O ATOM 0 H GLU A 19 7.215 0.720 0.410 1.00 0.00 H new ATOM 0 HA GLU A 19 7.116 2.637 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.307 1.766 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.750 0.114 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.528 0.387 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.903 2.095 -3.579 1.00 0.00 H new ATOM 314 N LEU A 20 5.761 1.382 -3.413 1.00 0.00 N ATOM 315 CA LEU A 20 4.925 0.680 -4.362 1.00 0.00 C ATOM 316 C LEU A 20 5.812 0.214 -5.503 1.00 0.00 C ATOM 317 O LEU A 20 6.404 1.017 -6.224 1.00 0.00 O ATOM 318 CB LEU A 20 3.767 1.564 -4.840 1.00 0.00 C ATOM 319 CG LEU A 20 2.658 1.778 -3.803 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.391 2.288 -4.462 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.372 0.499 -3.033 1.00 0.00 C ATOM 0 H LEU A 20 5.888 2.375 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 20 4.458 -0.187 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.165 2.536 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.330 1.117 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 20 3.009 2.531 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.620 2.432 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.595 3.237 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.046 1.562 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.581 0.682 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.054 -0.280 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.275 0.177 -2.515 1.00 0.00 H new ATOM 333 N LEU A 21 5.964 -1.095 -5.598 1.00 0.00 N ATOM 334 CA LEU A 21 6.845 -1.705 -6.577 1.00 0.00 C ATOM 335 C LEU A 21 6.403 -1.492 -8.015 1.00 0.00 C ATOM 336 O LEU A 21 5.229 -1.256 -8.295 1.00 0.00 O ATOM 337 CB LEU A 21 6.983 -3.195 -6.274 1.00 0.00 C ATOM 338 CG LEU A 21 8.265 -3.602 -5.522 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.037 -2.384 -5.016 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.922 -4.516 -4.359 1.00 0.00 C ATOM 0 H LEU A 21 5.480 -1.764 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 21 7.811 -1.208 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.122 -3.510 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.944 -3.745 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 21 8.905 -4.133 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.934 -2.714 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.321 -1.756 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.408 -1.812 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.836 -4.797 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.255 -3.996 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.429 -5.413 -4.734 1.00 0.00 H new ATOM 352 N PRO A 22 7.373 -1.586 -8.948 1.00 0.00 N ATOM 353 CA PRO A 22 7.137 -1.409 -10.383 1.00 0.00 C ATOM 354 C PRO A 22 6.195 -2.459 -10.950 1.00 0.00 C ATOM 355 O PRO A 22 5.631 -2.281 -12.031 1.00 0.00 O ATOM 356 CB PRO A 22 8.534 -1.552 -11.008 1.00 0.00 C ATOM 357 CG PRO A 22 9.485 -1.341 -9.879 1.00 0.00 C ATOM 358 CD PRO A 22 8.791 -1.879 -8.665 1.00 0.00 C ATOM 0 HA PRO A 22 6.660 -0.452 -10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.667 -2.536 -11.457 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.690 -0.817 -11.798 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.426 -1.862 -10.056 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.723 -0.284 -9.759 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.967 -2.947 -8.538 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.132 -1.389 -7.753 1.00 0.00 H new ATOM 366 N ASN A 23 6.021 -3.557 -10.221 1.00 0.00 N ATOM 367 CA ASN A 23 5.141 -4.624 -10.667 1.00 0.00 C ATOM 368 C ASN A 23 3.746 -4.468 -10.066 1.00 0.00 C ATOM 369 O ASN A 23 2.985 -5.431 -9.977 1.00 0.00 O ATOM 370 CB ASN A 23 5.727 -5.986 -10.298 1.00 0.00 C ATOM 371 CG ASN A 23 5.859 -6.183 -8.801 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.547 -5.290 -8.015 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.324 -7.362 -8.403 1.00 0.00 N ATOM 0 H ASN A 23 6.476 -3.728 -9.324 1.00 0.00 H new ATOM 0 HA ASN A 23 5.054 -4.561 -11.752 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.094 -6.772 -10.709 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.708 -6.092 -10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.435 -7.557 -7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.570 -8.072 -9.092 1.00 0.00 H new ATOM 380 N GLY A 24 3.417 -3.245 -9.654 1.00 0.00 N ATOM 381 CA GLY A 24 2.117 -2.985 -9.066 1.00 0.00 C ATOM 382 C GLY A 24 1.960 -3.648 -7.718 1.00 0.00 C ATOM 383 O GLY A 24 0.977 -4.346 -7.471 1.00 0.00 O ATOM 0 H GLY A 24 4.029 -2.431 -9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.977 -1.909 -8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.337 -3.343 -9.738 1.00 0.00 H new ATOM 387 N ARG A 25 2.936 -3.434 -6.845 1.00 0.00 N ATOM 388 CA ARG A 25 2.908 -4.024 -5.513 1.00 0.00 C ATOM 389 C ARG A 25 3.390 -3.033 -4.468 1.00 0.00 C ATOM 390 O ARG A 25 3.704 -1.891 -4.793 1.00 0.00 O ATOM 391 CB ARG A 25 3.751 -5.290 -5.483 1.00 0.00 C ATOM 392 CG ARG A 25 3.321 -6.293 -6.533 1.00 0.00 C ATOM 393 CD ARG A 25 1.979 -6.919 -6.180 1.00 0.00 C ATOM 394 NE ARG A 25 1.644 -8.035 -7.062 1.00 0.00 N ATOM 395 CZ ARG A 25 1.081 -7.894 -8.261 1.00 0.00 C ATOM 396 NH1 ARG A 25 0.785 -6.687 -8.726 1.00 0.00 N ATOM 397 NH2 ARG A 25 0.812 -8.964 -8.997 1.00 0.00 N ATOM 0 H ARG A 25 3.756 -2.857 -7.035 1.00 0.00 H new ATOM 0 HA ARG A 25 1.877 -4.285 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.798 -5.030 -5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.680 -5.748 -4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.252 -5.801 -7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.076 -7.073 -6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.003 -7.268 -5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.198 -6.161 -6.243 1.00 0.00 H new ATOM 0 HE ARG A 25 1.854 -8.980 -6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.989 -5.860 -8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.354 -6.586 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.036 -9.895 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.381 -8.856 -9.915 1.00 0.00 H new ATOM 411 N TYR A 26 3.416 -3.457 -3.208 1.00 0.00 N ATOM 412 CA TYR A 26 3.829 -2.568 -2.130 1.00 0.00 C ATOM 413 C TYR A 26 4.788 -3.237 -1.147 1.00 0.00 C ATOM 414 O TYR A 26 4.748 -4.447 -0.931 1.00 0.00 O ATOM 415 CB TYR A 26 2.587 -2.033 -1.411 1.00 0.00 C ATOM 416 CG TYR A 26 2.162 -2.819 -0.196 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.911 -2.788 0.967 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.004 -3.578 -0.217 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.519 -3.498 2.086 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.601 -4.292 0.893 1.00 0.00 C ATOM 421 CZ TYR A 26 1.362 -4.249 2.044 1.00 0.00 C ATOM 422 OH TYR A 26 0.965 -4.958 3.155 1.00 0.00 O ATOM 0 H TYR A 26 3.159 -4.399 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 26 4.382 -1.740 -2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.776 -1.003 -1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.758 -2.011 -2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.816 -2.200 1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.407 -3.612 -1.116 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.114 -3.465 2.987 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.304 -4.881 0.861 1.00 0.00 H new ATOM 0 HH TYR A 26 0.205 -5.531 2.923 1.00 0.00 H new ATOM 432 N ASP A 27 5.639 -2.408 -0.549 1.00 0.00 N ATOM 433 CA ASP A 27 6.619 -2.852 0.434 1.00 0.00 C ATOM 434 C ASP A 27 6.844 -1.744 1.456 1.00 0.00 C ATOM 435 O ASP A 27 7.410 -0.701 1.128 1.00 0.00 O ATOM 436 CB ASP A 27 7.940 -3.205 -0.252 1.00 0.00 C ATOM 437 CG ASP A 27 8.223 -4.694 -0.236 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.625 -5.420 -1.057 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.043 -5.133 0.598 1.00 0.00 O ATOM 0 H ASP A 27 5.667 -1.405 -0.734 1.00 0.00 H new ATOM 0 HA ASP A 27 6.242 -3.743 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.915 -2.854 -1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.755 -2.678 0.244 1.00 0.00 H new ATOM 444 N GLU A 28 6.381 -1.953 2.682 1.00 0.00 N ATOM 445 CA GLU A 28 6.523 -0.939 3.718 1.00 0.00 C ATOM 446 C GLU A 28 7.637 -1.274 4.702 1.00 0.00 C ATOM 447 O GLU A 28 7.748 -2.401 5.186 1.00 0.00 O ATOM 448 CB GLU A 28 5.181 -0.737 4.442 1.00 0.00 C ATOM 449 CG GLU A 28 5.299 -0.387 5.920 1.00 0.00 C ATOM 450 CD GLU A 28 3.963 -0.428 6.634 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.096 0.416 6.322 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.782 -1.306 7.505 1.00 0.00 O ATOM 0 H GLU A 28 5.909 -2.806 2.981 1.00 0.00 H new ATOM 0 HA GLU A 28 6.808 -0.004 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.628 0.056 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.591 -1.648 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.986 -1.083 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.731 0.609 6.021 1.00 0.00 H new ATOM 459 N ALA A 29 8.449 -0.264 5.001 1.00 0.00 N ATOM 460 CA ALA A 29 9.552 -0.407 5.940 1.00 0.00 C ATOM 461 C ALA A 29 9.368 0.548 7.111 1.00 0.00 C ATOM 462 O ALA A 29 9.562 1.756 6.977 1.00 0.00 O ATOM 463 CB ALA A 29 10.877 -0.140 5.239 1.00 0.00 C ATOM 0 H ALA A 29 8.360 0.670 4.601 1.00 0.00 H new ATOM 0 HA ALA A 29 9.562 -1.428 6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.694 -0.250 5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.008 -0.852 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.879 0.874 4.838 1.00 0.00 H new ATOM 469 N ARG A 30 8.977 0.002 8.256 1.00 0.00 N ATOM 470 CA ARG A 30 8.749 0.810 9.447 1.00 0.00 C ATOM 471 C ARG A 30 9.896 0.669 10.444 1.00 0.00 C ATOM 472 O ARG A 30 10.146 -0.418 10.968 1.00 0.00 O ATOM 473 CB ARG A 30 7.428 0.412 10.107 1.00 0.00 C ATOM 474 CG ARG A 30 6.306 0.157 9.110 1.00 0.00 C ATOM 475 CD ARG A 30 4.948 0.500 9.701 1.00 0.00 C ATOM 476 NE ARG A 30 4.519 -0.482 10.694 1.00 0.00 N ATOM 477 CZ ARG A 30 3.285 -0.547 11.187 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.353 0.304 10.779 1.00 0.00 N ATOM 479 NH2 ARG A 30 2.980 -1.471 12.089 1.00 0.00 N ATOM 0 H ARG A 30 8.811 -0.996 8.385 1.00 0.00 H new ATOM 0 HA ARG A 30 8.698 1.854 9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.585 -0.487 10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.121 1.201 10.794 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.474 0.751 8.212 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.318 -0.890 8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.992 1.487 10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.208 0.555 8.902 1.00 0.00 H new ATOM 0 HE ARG A 30 5.206 -1.157 11.029 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.580 1.014 10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.409 0.248 11.161 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.691 -2.131 12.404 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.034 -1.522 12.468 1.00 0.00 H new ATOM 571 N ALA A 36 8.294 -5.003 6.878 1.00 0.00 N ATOM 572 CA ALA A 36 7.313 -5.468 7.850 1.00 0.00 C ATOM 573 C ALA A 36 6.161 -6.192 7.163 1.00 0.00 C ATOM 574 O ALA A 36 5.734 -7.261 7.597 1.00 0.00 O ATOM 575 CB ALA A 36 6.792 -4.293 8.666 1.00 0.00 C ATOM 0 HA ALA A 36 7.802 -6.176 8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.059 -4.649 9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.621 -3.819 9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.322 -3.568 8.001 1.00 0.00 H new ATOM 581 N TYR A 37 5.662 -5.594 6.087 1.00 0.00 N ATOM 582 CA TYR A 37 4.560 -6.170 5.330 1.00 0.00 C ATOM 583 C TYR A 37 4.648 -5.797 3.853 1.00 0.00 C ATOM 584 O TYR A 37 5.188 -4.751 3.493 1.00 0.00 O ATOM 585 CB TYR A 37 3.224 -5.702 5.905 1.00 0.00 C ATOM 586 CG TYR A 37 2.366 -6.835 6.407 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.697 -7.509 7.572 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.232 -7.235 5.713 1.00 0.00 C ATOM 589 CE1 TYR A 37 1.923 -8.555 8.035 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.449 -8.279 6.168 1.00 0.00 C ATOM 591 CZ TYR A 37 0.799 -8.937 7.329 1.00 0.00 C ATOM 592 OH TYR A 37 0.023 -9.976 7.787 1.00 0.00 O ATOM 0 H TYR A 37 6.006 -4.707 5.719 1.00 0.00 H new ATOM 0 HA TYR A 37 4.628 -7.255 5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.411 -5.006 6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.678 -5.153 5.138 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.575 -7.211 8.127 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.957 -6.722 4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.195 -9.071 8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.431 -8.578 5.618 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.761 -9.618 8.253 1.00 0.00 H new ATOM 602 N GLN A 38 4.099 -6.661 3.007 1.00 0.00 N ATOM 603 CA GLN A 38 4.095 -6.437 1.565 1.00 0.00 C ATOM 604 C GLN A 38 2.995 -7.262 0.911 1.00 0.00 C ATOM 605 O GLN A 38 2.644 -8.336 1.400 1.00 0.00 O ATOM 606 CB GLN A 38 5.450 -6.794 0.940 1.00 0.00 C ATOM 607 CG GLN A 38 6.551 -7.093 1.950 1.00 0.00 C ATOM 608 CD GLN A 38 7.729 -7.816 1.331 1.00 0.00 C ATOM 609 OE1 GLN A 38 8.202 -7.451 0.256 1.00 0.00 O ATOM 610 NE2 GLN A 38 8.211 -8.851 2.010 1.00 0.00 N ATOM 0 H GLN A 38 3.648 -7.529 3.297 1.00 0.00 H new ATOM 0 HA GLN A 38 3.908 -5.377 1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.321 -7.663 0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.772 -5.969 0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.895 -6.159 2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.142 -7.698 2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.788 -9.120 2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.004 -9.377 1.643 1.00 0.00 H new ATOM 619 N GLY A 39 2.453 -6.762 -0.191 1.00 0.00 N ATOM 620 CA GLY A 39 1.397 -7.486 -0.874 1.00 0.00 C ATOM 621 C GLY A 39 1.052 -6.892 -2.220 1.00 0.00 C ATOM 622 O GLY A 39 1.929 -6.671 -3.053 1.00 0.00 O ATOM 0 H GLY A 39 2.721 -5.877 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.703 -8.524 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.505 -7.495 -0.247 1.00 0.00 H new ATOM 626 N ARG A 40 -0.233 -6.634 -2.432 1.00 0.00 N ATOM 627 CA ARG A 40 -0.704 -6.062 -3.682 1.00 0.00 C ATOM 628 C ARG A 40 -1.974 -5.266 -3.435 1.00 0.00 C ATOM 629 O ARG A 40 -2.603 -5.404 -2.387 1.00 0.00 O ATOM 630 CB ARG A 40 -0.958 -7.164 -4.714 1.00 0.00 C ATOM 631 CG ARG A 40 -2.134 -8.067 -4.375 1.00 0.00 C ATOM 632 CD ARG A 40 -1.673 -9.418 -3.847 1.00 0.00 C ATOM 633 NE ARG A 40 -0.976 -10.198 -4.870 1.00 0.00 N ATOM 634 CZ ARG A 40 0.350 -10.284 -4.972 1.00 0.00 C ATOM 635 NH1 ARG A 40 1.138 -9.634 -4.125 1.00 0.00 N ATOM 636 NH2 ARG A 40 0.891 -11.023 -5.932 1.00 0.00 N ATOM 0 H ARG A 40 -0.969 -6.814 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 40 0.063 -5.395 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.134 -6.704 -5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.060 -7.774 -4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.763 -7.581 -3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.748 -8.214 -5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.012 -9.267 -2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.535 -9.980 -3.487 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.541 -10.709 -5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.730 -9.061 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.152 -9.707 -4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.292 -11.523 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.906 -11.091 -6.013 1.00 0.00 H new ATOM 650 N TYR A 41 -2.347 -4.428 -4.389 1.00 0.00 N ATOM 651 CA TYR A 41 -3.548 -3.615 -4.233 1.00 0.00 C ATOM 652 C TYR A 41 -4.424 -3.641 -5.475 1.00 0.00 C ATOM 653 O TYR A 41 -3.959 -3.898 -6.584 1.00 0.00 O ATOM 654 CB TYR A 41 -3.185 -2.166 -3.902 1.00 0.00 C ATOM 655 CG TYR A 41 -1.885 -1.701 -4.516 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.672 -1.999 -3.913 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.872 -0.965 -5.697 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.519 -1.577 -4.467 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.682 -0.541 -6.257 1.00 0.00 C ATOM 660 CZ TYR A 41 0.510 -0.849 -5.638 1.00 0.00 C ATOM 661 OH TYR A 41 1.697 -0.429 -6.192 1.00 0.00 O ATOM 0 H TYR A 41 -1.846 -4.292 -5.267 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.113 -4.049 -3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.989 -1.514 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.123 -2.056 -2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.660 -2.570 -2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.805 -0.722 -6.183 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.455 -1.816 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.686 0.029 -7.175 1.00 0.00 H new ATOM 0 HH TYR A 41 2.442 -0.906 -5.770 1.00 0.00 H new ATOM 671 N GLU A 42 -5.699 -3.341 -5.264 1.00 0.00 N ATOM 672 CA GLU A 42 -6.670 -3.288 -6.346 1.00 0.00 C ATOM 673 C GLU A 42 -7.257 -1.886 -6.416 1.00 0.00 C ATOM 674 O GLU A 42 -7.710 -1.352 -5.411 1.00 0.00 O ATOM 675 CB GLU A 42 -7.779 -4.321 -6.123 1.00 0.00 C ATOM 676 CG GLU A 42 -8.105 -5.138 -7.361 1.00 0.00 C ATOM 677 CD GLU A 42 -9.534 -5.648 -7.364 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.938 -6.285 -6.370 1.00 0.00 O ATOM 679 OE2 GLU A 42 -10.247 -5.409 -8.361 1.00 0.00 O ATOM 0 H GLU A 42 -6.086 -3.129 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.176 -3.523 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.480 -4.996 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.681 -3.808 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.939 -4.528 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.421 -5.984 -7.424 1.00 0.00 H new ATOM 686 N VAL A 43 -7.220 -1.284 -7.595 1.00 0.00 N ATOM 687 CA VAL A 43 -7.724 0.074 -7.767 1.00 0.00 C ATOM 688 C VAL A 43 -9.095 0.100 -8.435 1.00 0.00 C ATOM 689 O VAL A 43 -9.289 -0.463 -9.513 1.00 0.00 O ATOM 690 CB VAL A 43 -6.719 0.919 -8.579 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.321 2.253 -9.002 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.447 1.131 -7.768 1.00 0.00 C ATOM 0 H VAL A 43 -6.849 -1.710 -8.444 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.839 0.505 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.473 0.374 -9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.585 2.820 -9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.200 2.075 -9.621 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.609 2.819 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.742 1.728 -8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.689 1.652 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.999 0.165 -7.535 1.00 0.00 H new ATOM 702 N ARG A 44 -10.042 0.769 -7.779 1.00 0.00 N ATOM 703 CA ARG A 44 -11.402 0.887 -8.294 1.00 0.00 C ATOM 704 C ARG A 44 -11.924 2.309 -8.115 1.00 0.00 C ATOM 705 O ARG A 44 -12.544 2.629 -7.100 1.00 0.00 O ATOM 706 CB ARG A 44 -12.325 -0.095 -7.573 1.00 0.00 C ATOM 707 CG ARG A 44 -11.791 -1.517 -7.537 1.00 0.00 C ATOM 708 CD ARG A 44 -12.792 -2.471 -6.907 1.00 0.00 C ATOM 709 NE ARG A 44 -12.513 -3.863 -7.252 1.00 0.00 N ATOM 710 CZ ARG A 44 -13.260 -4.891 -6.853 1.00 0.00 C ATOM 711 NH1 ARG A 44 -14.330 -4.686 -6.096 1.00 0.00 N ATOM 712 NH2 ARG A 44 -12.937 -6.125 -7.213 1.00 0.00 N ATOM 0 H ARG A 44 -9.890 1.239 -6.886 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.386 0.651 -9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.483 0.251 -6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.298 -0.094 -8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -11.561 -1.846 -8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.858 -1.542 -6.974 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.771 -2.355 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.798 -2.210 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.698 -4.059 -7.833 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.584 -3.738 -5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.899 -5.476 -5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.116 -6.288 -7.796 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.509 -6.912 -6.907 1.00 0.00 H new ATOM 726 N GLY A 45 -11.671 3.162 -9.104 1.00 0.00 N ATOM 727 CA GLY A 45 -12.123 4.539 -9.027 1.00 0.00 C ATOM 728 C GLY A 45 -11.454 5.305 -7.901 1.00 0.00 C ATOM 729 O GLY A 45 -12.113 6.038 -7.164 1.00 0.00 O ATOM 0 H GLY A 45 -11.162 2.924 -9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.919 5.039 -9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.203 4.556 -8.883 1.00 0.00 H new ATOM 733 N ALA A 46 -10.138 5.123 -7.767 1.00 0.00 N ATOM 734 CA ALA A 46 -9.355 5.789 -6.723 1.00 0.00 C ATOM 735 C ALA A 46 -9.406 5.020 -5.402 1.00 0.00 C ATOM 736 O ALA A 46 -8.628 5.295 -4.489 1.00 0.00 O ATOM 737 CB ALA A 46 -9.815 7.225 -6.518 1.00 0.00 C ATOM 0 H ALA A 46 -9.589 4.515 -8.374 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.320 5.805 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.214 7.691 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.697 7.781 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.864 7.232 -6.222 1.00 0.00 H new ATOM 743 N HIS A 47 -10.311 4.049 -5.307 1.00 0.00 N ATOM 744 CA HIS A 47 -10.434 3.240 -4.102 1.00 0.00 C ATOM 745 C HIS A 47 -9.601 1.977 -4.250 1.00 0.00 C ATOM 746 O HIS A 47 -9.731 1.257 -5.241 1.00 0.00 O ATOM 747 CB HIS A 47 -11.898 2.872 -3.855 1.00 0.00 C ATOM 748 CG HIS A 47 -12.447 3.415 -2.571 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.481 4.762 -2.275 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.992 2.783 -1.504 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.022 4.933 -1.082 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.340 3.750 -0.594 1.00 0.00 N ATOM 0 H HIS A 47 -10.967 3.805 -6.049 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.072 3.816 -3.250 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.501 3.243 -4.684 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.995 1.786 -3.851 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.127 1.718 -1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.178 5.882 -0.590 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.774 3.581 0.313 1.00 0.00 H new ATOM 761 N ILE A 48 -8.730 1.712 -3.284 1.00 0.00 N ATOM 762 CA ILE A 48 -7.881 0.532 -3.364 1.00 0.00 C ATOM 763 C ILE A 48 -7.722 -0.151 -2.011 1.00 0.00 C ATOM 764 O ILE A 48 -7.788 0.488 -0.962 1.00 0.00 O ATOM 765 CB ILE A 48 -6.493 0.875 -3.985 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.317 0.362 -3.136 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.356 2.374 -4.204 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.998 1.234 -1.936 1.00 0.00 C ATOM 0 H ILE A 48 -8.595 2.286 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.381 -0.176 -4.025 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.450 0.361 -4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.544 -0.646 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.431 0.290 -3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.380 2.591 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.138 2.716 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.451 2.891 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.158 0.806 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.738 2.237 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.869 1.286 -1.282 1.00 0.00 H new ATOM 780 N ASN A 49 -7.512 -1.463 -2.055 1.00 0.00 N ATOM 781 CA ASN A 49 -7.335 -2.263 -0.853 1.00 0.00 C ATOM 782 C ASN A 49 -6.135 -3.193 -1.017 1.00 0.00 C ATOM 783 O ASN A 49 -5.865 -3.678 -2.115 1.00 0.00 O ATOM 784 CB ASN A 49 -8.602 -3.080 -0.559 1.00 0.00 C ATOM 785 CG ASN A 49 -9.795 -2.645 -1.392 1.00 0.00 C ATOM 786 OD1 ASN A 49 -9.722 -2.879 -2.697 1.00 0.00 O flip ATOM 787 ND2 ASN A 49 -10.770 -2.107 -0.868 1.00 0.00 N flip ATOM 0 H ASN A 49 -7.460 -1.998 -2.922 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.153 -1.594 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.400 -4.134 -0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.851 -2.987 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.784 -1.946 0.139 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.564 -1.822 -1.441 1.00 0.00 H new ATOM 794 N TYR A 50 -5.412 -3.433 0.072 1.00 0.00 N ATOM 795 CA TYR A 50 -4.240 -4.296 0.033 1.00 0.00 C ATOM 796 C TYR A 50 -4.606 -5.728 0.398 1.00 0.00 C ATOM 797 O TYR A 50 -5.032 -5.994 1.516 1.00 0.00 O ATOM 798 CB TYR A 50 -3.182 -3.783 1.013 1.00 0.00 C ATOM 799 CG TYR A 50 -2.635 -2.416 0.671 1.00 0.00 C ATOM 800 CD1 TYR A 50 -2.110 -2.147 -0.587 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.643 -1.391 1.611 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.609 -0.896 -0.898 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.145 -0.139 1.306 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.630 0.103 0.051 1.00 0.00 C ATOM 805 OH TYR A 50 -1.133 1.349 -0.256 1.00 0.00 O ATOM 0 H TYR A 50 -5.618 -3.042 0.991 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.843 -4.282 -0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.614 -3.750 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.357 -4.495 1.046 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.093 -2.927 -1.334 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.045 -1.577 2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.203 -0.703 -1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.159 0.646 2.047 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.180 1.386 -0.030 1.00 0.00 H new ATOM 815 N TRP A 51 -4.421 -6.650 -0.539 1.00 0.00 N ATOM 816 CA TRP A 51 -4.716 -8.052 -0.283 1.00 0.00 C ATOM 817 C TRP A 51 -3.421 -8.851 -0.197 1.00 0.00 C ATOM 818 O TRP A 51 -2.904 -9.330 -1.206 1.00 0.00 O ATOM 819 CB TRP A 51 -5.639 -8.623 -1.363 1.00 0.00 C ATOM 820 CG TRP A 51 -5.800 -10.113 -1.287 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.314 -10.828 -0.244 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.443 -11.069 -2.294 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.299 -12.169 -0.540 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.770 -12.343 -1.791 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.881 -10.970 -3.569 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.552 -13.508 -2.522 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.665 -12.128 -4.293 1.00 0.00 C ATOM 828 CH2 TRP A 51 -5.001 -13.382 -3.767 1.00 0.00 C ATOM 0 H TRP A 51 -4.070 -6.453 -1.476 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.236 -8.129 0.672 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.619 -8.155 -1.276 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.245 -8.358 -2.344 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.679 -10.402 0.679 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.629 -12.915 0.073 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.620 -10.007 -3.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.809 -14.477 -2.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.230 -12.065 -5.280 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.821 -14.268 -4.357 1.00 0.00 H new ATOM 839 N ASP A 52 -2.898 -8.972 1.017 1.00 0.00 N ATOM 840 CA ASP A 52 -1.650 -9.696 1.244 1.00 0.00 C ATOM 841 C ASP A 52 -1.832 -11.196 1.075 1.00 0.00 C ATOM 842 O ASP A 52 -2.931 -11.727 1.240 1.00 0.00 O ATOM 843 CB ASP A 52 -1.106 -9.405 2.641 1.00 0.00 C ATOM 844 CG ASP A 52 -0.427 -8.052 2.725 1.00 0.00 C ATOM 845 OD1 ASP A 52 -1.106 -7.031 2.490 1.00 0.00 O ATOM 846 OD2 ASP A 52 0.785 -8.016 3.024 1.00 0.00 O ATOM 0 H ASP A 52 -3.317 -8.579 1.860 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.937 -9.349 0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.923 -9.444 3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.396 -10.183 2.921 1.00 0.00 H new ATOM 851 N ASP A 53 -0.736 -11.873 0.757 1.00 0.00 N ATOM 852 CA ASP A 53 -0.750 -13.317 0.574 1.00 0.00 C ATOM 853 C ASP A 53 -0.581 -14.041 1.910 1.00 0.00 C ATOM 854 O ASP A 53 -0.790 -15.252 1.995 1.00 0.00 O ATOM 855 CB ASP A 53 0.356 -13.740 -0.393 1.00 0.00 C ATOM 856 CG ASP A 53 -0.135 -13.846 -1.824 1.00 0.00 C ATOM 857 OD1 ASP A 53 -0.801 -12.901 -2.295 1.00 0.00 O ATOM 858 OD2 ASP A 53 0.147 -14.875 -2.474 1.00 0.00 O ATOM 0 H ASP A 53 0.178 -11.442 0.620 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.717 -13.594 0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.172 -13.019 -0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.761 -14.702 -0.079 1.00 0.00 H new ATOM 863 N THR A 54 -0.193 -13.302 2.951 1.00 0.00 N ATOM 864 CA THR A 54 0.008 -13.897 4.269 1.00 0.00 C ATOM 865 C THR A 54 -1.265 -13.858 5.113 1.00 0.00 C ATOM 866 O THR A 54 -1.210 -13.924 6.340 1.00 0.00 O ATOM 867 CB THR A 54 1.153 -13.201 5.006 1.00 0.00 C ATOM 868 OG1 THR A 54 1.437 -13.861 6.227 1.00 0.00 O ATOM 869 CG2 THR A 54 0.873 -11.750 5.325 1.00 0.00 C ATOM 0 H THR A 54 -0.013 -12.299 2.906 1.00 0.00 H new ATOM 0 HA THR A 54 0.270 -14.944 4.114 1.00 0.00 H new ATOM 0 HB THR A 54 2.001 -13.246 4.323 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.606 -13.987 6.732 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.728 -11.321 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.700 -11.201 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.011 -11.681 5.958 1.00 0.00 H new ATOM 877 N GLY A 55 -2.407 -13.789 4.444 1.00 0.00 N ATOM 878 CA GLY A 55 -3.682 -13.788 5.138 1.00 0.00 C ATOM 879 C GLY A 55 -4.109 -12.436 5.690 1.00 0.00 C ATOM 880 O GLY A 55 -4.932 -12.384 6.605 1.00 0.00 O ATOM 0 H GLY A 55 -2.475 -13.733 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.452 -14.145 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.632 -14.501 5.961 1.00 0.00 H new ATOM 884 N PHE A 56 -3.587 -11.338 5.146 1.00 0.00 N ATOM 885 CA PHE A 56 -3.973 -10.020 5.616 1.00 0.00 C ATOM 886 C PHE A 56 -4.600 -9.230 4.483 1.00 0.00 C ATOM 887 O PHE A 56 -4.432 -9.559 3.309 1.00 0.00 O ATOM 888 CB PHE A 56 -2.756 -9.273 6.192 1.00 0.00 C ATOM 889 CG PHE A 56 -2.761 -7.778 5.967 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.713 -7.248 4.685 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.820 -6.905 7.042 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.726 -5.879 4.479 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.833 -5.537 6.844 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.787 -5.024 5.562 1.00 0.00 C ATOM 0 H PHE A 56 -2.904 -11.339 4.388 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.708 -10.132 6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.705 -9.464 7.264 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.850 -9.689 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.665 -7.913 3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.856 -7.299 8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.689 -5.481 3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.879 -4.869 7.692 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.799 -3.955 5.407 1.00 0.00 H new ATOM 904 N THR A 57 -5.293 -8.168 4.844 1.00 0.00 N ATOM 905 CA THR A 57 -5.916 -7.300 3.860 1.00 0.00 C ATOM 906 C THR A 57 -6.186 -5.920 4.445 1.00 0.00 C ATOM 907 O THR A 57 -6.589 -5.790 5.602 1.00 0.00 O ATOM 908 CB THR A 57 -7.211 -7.902 3.298 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.351 -7.244 3.824 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.385 -9.386 3.563 1.00 0.00 C ATOM 0 H THR A 57 -5.440 -7.884 5.813 1.00 0.00 H new ATOM 0 HA THR A 57 -5.212 -7.200 3.034 1.00 0.00 H new ATOM 0 HB THR A 57 -7.122 -7.759 2.221 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.163 -7.645 3.449 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.326 -9.725 3.131 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.559 -9.936 3.111 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.394 -9.565 4.638 1.00 0.00 H new ATOM 918 N ALA A 58 -5.968 -4.893 3.634 1.00 0.00 N ATOM 919 CA ALA A 58 -6.187 -3.525 4.052 1.00 0.00 C ATOM 920 C ALA A 58 -7.094 -2.816 3.061 1.00 0.00 C ATOM 921 O ALA A 58 -7.509 -3.394 2.059 1.00 0.00 O ATOM 922 CB ALA A 58 -4.860 -2.791 4.187 1.00 0.00 C ATOM 0 H ALA A 58 -5.636 -4.989 2.674 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.674 -3.529 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.043 -1.764 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.240 -3.293 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.346 -2.790 3.226 1.00 0.00 H new ATOM 928 N ASP A 59 -7.396 -1.567 3.354 1.00 0.00 N ATOM 929 CA ASP A 59 -8.259 -0.762 2.496 1.00 0.00 C ATOM 930 C ASP A 59 -7.845 0.705 2.520 1.00 0.00 C ATOM 931 O ASP A 59 -7.377 1.212 3.540 1.00 0.00 O ATOM 932 CB ASP A 59 -9.718 -0.900 2.938 1.00 0.00 C ATOM 933 CG ASP A 59 -9.954 -0.365 4.338 1.00 0.00 C ATOM 934 OD1 ASP A 59 -8.991 -0.341 5.133 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.099 0.029 4.638 1.00 0.00 O ATOM 0 H ASP A 59 -7.057 -1.080 4.184 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.156 -1.129 1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.359 -0.367 2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.008 -1.950 2.900 1.00 0.00 H new ATOM 940 N GLY A 60 -8.021 1.381 1.390 1.00 0.00 N ATOM 941 CA GLY A 60 -7.662 2.782 1.301 1.00 0.00 C ATOM 942 C GLY A 60 -8.399 3.500 0.188 1.00 0.00 C ATOM 943 O GLY A 60 -9.325 2.949 -0.408 1.00 0.00 O ATOM 0 H GLY A 60 -8.406 0.982 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.880 3.271 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.588 2.869 1.136 1.00 0.00 H new ATOM 947 N ASP A 61 -7.992 4.734 -0.092 1.00 0.00 N ATOM 948 CA ASP A 61 -8.623 5.526 -1.142 1.00 0.00 C ATOM 949 C ASP A 61 -7.796 6.767 -1.459 1.00 0.00 C ATOM 950 O ASP A 61 -7.515 7.581 -0.582 1.00 0.00 O ATOM 951 CB ASP A 61 -10.035 5.934 -0.717 1.00 0.00 C ATOM 952 CG ASP A 61 -10.039 6.814 0.517 1.00 0.00 C ATOM 953 OD1 ASP A 61 -9.746 6.296 1.615 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.335 8.019 0.386 1.00 0.00 O ATOM 0 H ASP A 61 -7.229 5.207 0.393 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.682 4.913 -2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.519 6.463 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.625 5.039 -0.522 1.00 0.00 H new ATOM 959 N PHE A 62 -7.410 6.904 -2.725 1.00 0.00 N ATOM 960 CA PHE A 62 -6.617 8.046 -3.159 1.00 0.00 C ATOM 961 C PHE A 62 -7.411 9.338 -3.039 1.00 0.00 C ATOM 962 O PHE A 62 -8.356 9.573 -3.789 1.00 0.00 O ATOM 963 CB PHE A 62 -6.156 7.869 -4.605 1.00 0.00 C ATOM 964 CG PHE A 62 -5.258 6.686 -4.823 1.00 0.00 C ATOM 965 CD1 PHE A 62 -3.935 6.717 -4.414 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.735 5.546 -5.448 1.00 0.00 C ATOM 967 CE1 PHE A 62 -3.105 5.634 -4.628 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.910 4.461 -5.662 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.593 4.504 -5.251 1.00 0.00 C ATOM 0 H PHE A 62 -7.634 6.239 -3.465 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.744 8.104 -2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.033 7.768 -5.245 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.633 8.772 -4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.548 7.597 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.765 5.506 -5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.074 5.672 -4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.295 3.578 -6.151 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.946 3.655 -5.417 1.00 0.00 H new ATOM 979 N VAL A 63 -7.010 10.173 -2.096 1.00 0.00 N ATOM 980 CA VAL A 63 -7.672 11.455 -1.875 1.00 0.00 C ATOM 981 C VAL A 63 -7.018 12.565 -2.694 1.00 0.00 C ATOM 982 O VAL A 63 -7.507 13.695 -2.723 1.00 0.00 O ATOM 983 CB VAL A 63 -7.659 11.862 -0.388 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.779 11.163 0.366 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.308 11.564 0.245 1.00 0.00 C ATOM 0 H VAL A 63 -6.228 9.989 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.705 11.324 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.826 12.937 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.754 11.462 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.739 11.441 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.648 10.083 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.324 11.860 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.100 10.497 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.531 12.122 -0.277 1.00 0.00 H new ATOM 995 N SER A 64 -5.911 12.242 -3.359 1.00 0.00 N ATOM 996 CA SER A 64 -5.200 13.219 -4.175 1.00 0.00 C ATOM 997 C SER A 64 -4.189 12.530 -5.084 1.00 0.00 C ATOM 998 O SER A 64 -3.972 11.322 -4.985 1.00 0.00 O ATOM 999 CB SER A 64 -4.489 14.239 -3.282 1.00 0.00 C ATOM 1000 OG SER A 64 -4.545 15.537 -3.847 1.00 0.00 O ATOM 0 H SER A 64 -5.489 11.313 -3.348 1.00 0.00 H new ATOM 0 HA SER A 64 -5.929 13.738 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.952 14.248 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.449 13.944 -3.144 1.00 0.00 H new ATOM 0 HG SER A 64 -4.086 16.171 -3.257 1.00 0.00 H new ATOM 1006 N ALA A 65 -3.575 13.304 -5.970 1.00 0.00 N ATOM 1007 CA ALA A 65 -2.588 12.768 -6.897 1.00 0.00 C ATOM 1008 C ALA A 65 -1.311 12.356 -6.170 1.00 0.00 C ATOM 1009 O ALA A 65 -0.542 11.535 -6.671 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.274 13.790 -7.980 1.00 0.00 C ATOM 0 H ALA A 65 -3.744 14.305 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.011 11.877 -7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.535 13.377 -8.667 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.185 14.030 -8.529 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.877 14.696 -7.521 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.086 12.932 -4.992 1.00 0.00 N ATOM 1017 CA ASN A 66 0.105 12.621 -4.207 1.00 0.00 C ATOM 1018 C ASN A 66 -0.249 12.211 -2.777 1.00 0.00 C ATOM 1019 O ASN A 66 0.639 11.941 -1.968 1.00 0.00 O ATOM 1020 CB ASN A 66 1.046 13.830 -4.181 1.00 0.00 C ATOM 1021 CG ASN A 66 2.229 13.680 -5.127 1.00 0.00 C ATOM 1022 OD1 ASN A 66 3.313 14.196 -4.859 1.00 0.00 O ATOM 1023 ND2 ASN A 66 2.033 12.973 -6.240 1.00 0.00 N ATOM 0 H ASN A 66 -1.710 13.614 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 66 0.603 11.777 -4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.486 14.726 -4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.415 13.975 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.797 12.845 -6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.119 12.560 -6.428 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.544 12.163 -2.464 1.00 0.00 N ATOM 1031 CA GLU A 67 -1.982 11.782 -1.126 1.00 0.00 C ATOM 1032 C GLU A 67 -2.682 10.427 -1.145 1.00 0.00 C ATOM 1033 O GLU A 67 -3.312 10.054 -2.135 1.00 0.00 O ATOM 1034 CB GLU A 67 -2.916 12.846 -0.547 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.772 13.029 0.955 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.525 14.240 1.470 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -4.723 14.099 1.793 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -2.918 15.328 1.550 1.00 0.00 O ATOM 0 H GLU A 67 -2.300 12.381 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.098 11.703 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.720 13.798 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.947 12.575 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.137 12.136 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.716 13.129 1.205 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.560 9.693 -0.044 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.171 8.375 0.072 1.00 0.00 C ATOM 1047 C LEU A 68 -3.881 8.238 1.412 1.00 0.00 C ATOM 1048 O LEU A 68 -3.411 8.748 2.428 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.083 7.298 -0.095 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.349 5.914 0.531 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.575 5.989 2.034 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.524 5.235 -0.153 1.00 0.00 C ATOM 0 H LEU A 68 -2.042 9.990 0.783 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.918 8.245 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.910 7.157 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.157 7.687 0.329 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.452 5.315 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.758 4.988 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.692 6.410 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.438 6.622 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.696 4.260 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.416 5.851 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.303 5.107 -1.213 1.00 0.00 H new ATOM 1064 N HIS A 69 -5.006 7.536 1.414 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.766 7.319 2.640 1.00 0.00 C ATOM 1066 C HIS A 69 -6.025 5.836 2.864 1.00 0.00 C ATOM 1067 O HIS A 69 -6.840 5.226 2.173 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.090 8.074 2.600 1.00 0.00 C ATOM 1069 CG HIS A 69 -7.023 9.437 3.218 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -8.144 10.182 3.520 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -5.961 10.188 3.595 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -7.774 11.333 4.054 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -6.455 11.361 4.111 1.00 0.00 N ATOM 0 H HIS A 69 -5.413 7.107 0.583 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.170 7.700 3.469 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.413 8.170 1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.849 7.487 3.117 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.920 9.915 3.506 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.438 12.117 4.387 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.894 12.129 4.479 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.338 5.267 3.843 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.499 3.859 4.179 1.00 0.00 C ATOM 1084 C HIS A 70 -5.368 3.661 5.683 1.00 0.00 C ATOM 1085 O HIS A 70 -4.549 4.312 6.332 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.486 2.989 3.407 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.215 2.668 4.146 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -3.185 2.070 5.391 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -1.920 2.848 3.792 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.931 1.899 5.768 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.146 2.362 4.814 1.00 0.00 N ATOM 0 H HIS A 70 -4.660 5.762 4.422 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.497 3.540 3.879 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.972 2.053 3.132 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.228 3.499 2.479 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.563 3.292 2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.604 1.456 6.697 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.126 2.359 4.834 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.185 2.771 6.235 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.143 2.524 7.664 1.00 0.00 C ATOM 1102 C GLY A 71 -6.353 3.792 8.468 1.00 0.00 C ATOM 1103 O GLY A 71 -6.012 3.851 9.650 1.00 0.00 O ATOM 0 H GLY A 71 -6.872 2.219 5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.910 1.796 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.181 2.083 7.927 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.919 4.810 7.824 1.00 0.00 N ATOM 1108 CA GLY A 72 -7.171 6.069 8.496 1.00 0.00 C ATOM 1109 C GLY A 72 -5.937 6.948 8.591 1.00 0.00 C ATOM 1110 O GLY A 72 -5.884 7.849 9.428 1.00 0.00 O ATOM 0 H GLY A 72 -7.207 4.783 6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.954 6.608 7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.547 5.870 9.500 1.00 0.00 H new ATOM 1114 N MET A 73 -4.940 6.696 7.742 1.00 0.00 N ATOM 1115 CA MET A 73 -3.720 7.489 7.765 1.00 0.00 C ATOM 1116 C MET A 73 -3.534 8.270 6.471 1.00 0.00 C ATOM 1117 O MET A 73 -4.268 8.078 5.502 1.00 0.00 O ATOM 1118 CB MET A 73 -2.509 6.593 8.012 1.00 0.00 C ATOM 1119 CG MET A 73 -1.572 7.149 9.063 1.00 0.00 C ATOM 1120 SD MET A 73 -0.065 6.175 9.244 1.00 0.00 S ATOM 1121 CE MET A 73 -0.740 4.603 9.775 1.00 0.00 C ATOM 0 H MET A 73 -4.956 5.957 7.039 1.00 0.00 H new ATOM 0 HA MET A 73 -3.809 8.206 8.581 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.851 5.606 8.322 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.963 6.462 7.078 1.00 0.00 H new ATOM 0 HG2 MET A 73 -1.307 8.174 8.801 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.091 7.188 10.021 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.056 3.990 10.198 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.507 4.773 10.530 1.00 0.00 H new ATOM 0 HE3 MET A 73 -1.180 4.089 8.921 1.00 0.00 H new ATOM 1131 N THR A 74 -2.538 9.151 6.468 1.00 0.00 N ATOM 1132 CA THR A 74 -2.241 9.968 5.296 1.00 0.00 C ATOM 1133 C THR A 74 -0.844 9.662 4.765 1.00 0.00 C ATOM 1134 O THR A 74 0.159 10.026 5.380 1.00 0.00 O ATOM 1135 CB THR A 74 -2.356 11.454 5.640 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.515 11.701 6.416 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.419 12.347 4.421 1.00 0.00 C ATOM 0 H THR A 74 -1.923 9.317 7.264 1.00 0.00 H new ATOM 0 HA THR A 74 -2.968 9.727 4.520 1.00 0.00 H new ATOM 0 HB THR A 74 -1.450 11.693 6.198 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.570 12.656 6.627 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.500 13.387 4.736 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.514 12.217 3.827 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.289 12.081 3.820 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.788 8.988 3.624 1.00 0.00 N ATOM 1146 CA PHE A 75 0.483 8.624 3.007 1.00 0.00 C ATOM 1147 C PHE A 75 0.762 9.494 1.785 1.00 0.00 C ATOM 1148 O PHE A 75 -0.027 9.530 0.843 1.00 0.00 O ATOM 1149 CB PHE A 75 0.455 7.151 2.610 1.00 0.00 C ATOM 1150 CG PHE A 75 0.849 6.218 3.718 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.183 5.973 3.997 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.121 5.583 4.479 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.544 5.111 5.013 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.235 4.720 5.498 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.570 4.484 5.765 1.00 0.00 C ATOM 0 H PHE A 75 -1.610 8.681 3.105 1.00 0.00 H new ATOM 0 HA PHE A 75 1.283 8.789 3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.549 6.895 2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.125 6.999 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.949 6.462 3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.165 5.765 4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.588 4.927 5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.529 4.231 6.084 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.851 3.810 6.561 1.00 0.00 H new ATOM 1165 N TYR A 76 1.891 10.195 1.812 1.00 0.00 N ATOM 1166 CA TYR A 76 2.274 11.068 0.708 1.00 0.00 C ATOM 1167 C TYR A 76 3.307 10.393 -0.186 1.00 0.00 C ATOM 1168 O TYR A 76 4.131 9.608 0.282 1.00 0.00 O ATOM 1169 CB TYR A 76 2.826 12.389 1.243 1.00 0.00 C ATOM 1170 CG TYR A 76 1.951 13.008 2.307 1.00 0.00 C ATOM 1171 CD1 TYR A 76 2.008 12.564 3.621 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.063 14.030 1.997 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.206 13.123 4.597 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.256 14.594 2.966 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.331 14.136 4.265 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.470 14.694 5.233 1.00 0.00 O ATOM 0 H TYR A 76 2.556 10.176 2.585 1.00 0.00 H new ATOM 0 HA TYR A 76 1.384 11.271 0.112 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.822 12.221 1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.936 13.092 0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.690 11.769 3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.002 14.390 0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.264 12.768 5.615 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.429 15.388 2.708 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.026 15.395 4.833 1.00 0.00 H new ATOM 1186 N ARG A 77 3.249 10.697 -1.478 1.00 0.00 N ATOM 1187 CA ARG A 77 4.171 10.108 -2.441 1.00 0.00 C ATOM 1188 C ARG A 77 5.574 10.688 -2.309 1.00 0.00 C ATOM 1189 O ARG A 77 5.744 11.894 -2.170 1.00 0.00 O ATOM 1190 CB ARG A 77 3.671 10.323 -3.866 1.00 0.00 C ATOM 1191 CG ARG A 77 4.189 9.293 -4.854 1.00 0.00 C ATOM 1192 CD ARG A 77 3.316 8.051 -4.873 1.00 0.00 C ATOM 1193 NE ARG A 77 2.510 7.970 -6.089 1.00 0.00 N ATOM 1194 CZ ARG A 77 3.000 7.643 -7.283 1.00 0.00 C ATOM 1195 NH1 ARG A 77 4.292 7.375 -7.427 1.00 0.00 N ATOM 1196 NH2 ARG A 77 2.197 7.586 -8.337 1.00 0.00 N ATOM 0 H ARG A 77 2.574 11.347 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 77 4.217 9.040 -2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.581 10.299 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.969 11.317 -4.200 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.223 9.730 -5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.210 9.017 -4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.945 7.164 -4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.660 8.055 -4.002 1.00 0.00 H new ATOM 0 HE ARG A 77 1.513 8.176 -6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.915 7.419 -6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.662 7.125 -8.344 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.204 7.793 -8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.573 7.335 -9.252 1.00 0.00 H new ATOM 1210 N GLU A 78 6.557 9.795 -2.385 1.00 0.00 N ATOM 1211 CA GLU A 78 7.987 10.115 -2.305 1.00 0.00 C ATOM 1212 C GLU A 78 8.314 11.186 -1.258 1.00 0.00 C ATOM 1213 O GLU A 78 9.141 10.959 -0.374 1.00 0.00 O ATOM 1214 CB GLU A 78 8.512 10.484 -3.706 1.00 0.00 C ATOM 1215 CG GLU A 78 9.123 11.876 -3.846 1.00 0.00 C ATOM 1216 CD GLU A 78 8.092 12.941 -4.161 1.00 0.00 C ATOM 1217 OE1 GLU A 78 7.337 12.765 -5.139 1.00 0.00 O ATOM 1218 OE2 GLU A 78 8.041 13.952 -3.429 1.00 0.00 O ATOM 0 H GLU A 78 6.380 8.798 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 78 8.508 9.223 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.262 9.749 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.689 10.397 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.637 12.137 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.875 11.860 -4.635 1.00 0.00 H new