USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 635 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 33 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.13) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -150:sc= -1.65 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.65 K(o=-1.7,f=-0.34) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc=0.000461 USER MOD Single : A 49 SER OG : rot 33:sc= 0.472 USER MOD Single : A 51 SER OG : rot -163:sc= 1.43 USER MOD Single : A 52 SER OG : rot -174:sc= -2.98! USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.62) USER MOD Single : A 91 TYR OH : rot 87:sc= 0.558 USER MOD Single : A 92 LYS NZ :NH3+ -137:sc= 0.0731 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0275 USER MOD Single : A 94 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=-0.00072) USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -3.37! (180deg=-4.69!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.180 10.041 -6.948 1.00 0.00 N ATOM 28 CA LEU A 23 -6.311 8.654 -6.523 1.00 0.00 C ATOM 29 C LEU A 23 -6.163 8.545 -5.010 1.00 0.00 C ATOM 30 O LEU A 23 -5.262 9.138 -4.421 1.00 0.00 O ATOM 31 CB LEU A 23 -5.280 7.770 -7.234 1.00 0.00 C ATOM 32 CG LEU A 23 -5.266 7.845 -8.774 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.187 6.450 -9.375 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.487 8.578 -9.320 1.00 0.00 C ATOM 0 HA LEU A 23 -7.306 8.302 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.289 8.038 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.457 6.735 -6.943 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.380 8.412 -9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.178 6.522 -10.463 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.275 5.959 -9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.052 5.867 -9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.437 8.608 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.393 8.055 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.505 9.596 -8.930 1.00 0.00 H new ATOM 46 N ARG A 24 -7.064 7.794 -4.387 1.00 0.00 N ATOM 47 CA ARG A 24 -7.048 7.612 -2.942 1.00 0.00 C ATOM 48 C ARG A 24 -6.439 6.262 -2.570 1.00 0.00 C ATOM 49 O ARG A 24 -6.891 5.215 -3.034 1.00 0.00 O ATOM 50 CB ARG A 24 -8.474 7.737 -2.386 1.00 0.00 C ATOM 51 CG ARG A 24 -8.639 7.261 -0.948 1.00 0.00 C ATOM 52 CD ARG A 24 -10.100 7.018 -0.605 1.00 0.00 C ATOM 53 NE ARG A 24 -10.602 5.771 -1.180 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.230 5.688 -2.352 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.427 6.773 -3.091 1.00 0.00 N ATOM 56 NH2 ARG A 24 -11.661 4.512 -2.788 1.00 0.00 N ATOM 0 H ARG A 24 -7.818 7.299 -4.864 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.427 8.390 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.783 8.780 -2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.150 7.166 -3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.072 6.342 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.223 8.004 -0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.217 6.990 0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.700 7.852 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.463 4.910 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.096 7.680 -2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.909 6.699 -3.987 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.511 3.674 -2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.142 4.446 -3.685 1.00 0.00 H new ATOM 70 N LEU A 25 -5.416 6.298 -1.722 1.00 0.00 N ATOM 71 CA LEU A 25 -4.746 5.090 -1.275 1.00 0.00 C ATOM 72 C LEU A 25 -5.428 4.550 -0.029 1.00 0.00 C ATOM 73 O LEU A 25 -5.847 5.314 0.841 1.00 0.00 O ATOM 74 CB LEU A 25 -3.278 5.383 -0.969 1.00 0.00 C ATOM 75 CG LEU A 25 -2.347 4.179 -1.047 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.899 4.598 -0.856 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.730 3.134 -0.016 1.00 0.00 C ATOM 0 H LEU A 25 -5.034 7.159 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.802 4.345 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.923 6.143 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.210 5.811 0.031 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.451 3.742 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.255 3.720 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.620 5.307 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.782 5.068 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.052 2.284 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.662 3.566 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.751 2.800 -0.198 1.00 0.00 H new ATOM 89 N SER A 26 -5.530 3.234 0.061 1.00 0.00 N ATOM 90 CA SER A 26 -6.157 2.606 1.215 1.00 0.00 C ATOM 91 C SER A 26 -5.418 1.334 1.581 1.00 0.00 C ATOM 92 O SER A 26 -5.501 0.334 0.874 1.00 0.00 O ATOM 93 CB SER A 26 -7.626 2.297 0.923 1.00 0.00 C ATOM 94 OG SER A 26 -8.152 3.189 -0.043 1.00 0.00 O ATOM 0 H SER A 26 -5.189 2.582 -0.646 1.00 0.00 H new ATOM 0 HA SER A 26 -6.109 3.297 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.721 1.272 0.566 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.206 2.369 1.843 1.00 0.00 H new ATOM 0 HG SER A 26 -9.111 3.316 0.116 1.00 0.00 H new ATOM 100 N VAL A 27 -4.691 1.376 2.686 1.00 0.00 N ATOM 101 CA VAL A 27 -3.934 0.220 3.124 1.00 0.00 C ATOM 102 C VAL A 27 -4.705 -0.598 4.146 1.00 0.00 C ATOM 103 O VAL A 27 -5.017 -0.125 5.239 1.00 0.00 O ATOM 104 CB VAL A 27 -2.565 0.620 3.696 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.703 1.311 5.043 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.678 -0.599 3.804 1.00 0.00 C ATOM 0 H VAL A 27 -4.611 2.193 3.291 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.769 -0.397 2.241 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.105 1.334 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.715 1.579 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.305 2.212 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.188 0.637 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.709 -0.309 4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.144 -1.331 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.541 -1.038 2.816 1.00 0.00 H new ATOM 116 N PHE A 28 -5.016 -1.828 3.769 1.00 0.00 N ATOM 117 CA PHE A 28 -5.759 -2.727 4.627 1.00 0.00 C ATOM 118 C PHE A 28 -4.839 -3.618 5.452 1.00 0.00 C ATOM 119 O PHE A 28 -3.874 -4.197 4.937 1.00 0.00 O ATOM 120 CB PHE A 28 -6.699 -3.589 3.792 1.00 0.00 C ATOM 121 CG PHE A 28 -8.014 -3.818 4.462 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.878 -2.762 4.682 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.378 -5.084 4.884 1.00 0.00 C ATOM 124 CE1 PHE A 28 -10.087 -2.963 5.314 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.587 -5.294 5.515 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.443 -4.233 5.732 1.00 0.00 C ATOM 0 H PHE A 28 -4.761 -2.226 2.865 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.337 -2.115 5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.865 -3.110 2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.224 -4.550 3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.604 -1.770 4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.710 -5.916 4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.755 -2.131 5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.863 -6.287 5.839 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.389 -4.394 6.227 1.00 0.00 H new ATOM 136 N ARG A 29 -5.167 -3.733 6.735 1.00 0.00 N ATOM 137 CA ARG A 29 -4.408 -4.562 7.660 1.00 0.00 C ATOM 138 C ARG A 29 -5.335 -5.585 8.304 1.00 0.00 C ATOM 139 O ARG A 29 -6.283 -5.218 8.999 1.00 0.00 O ATOM 140 CB ARG A 29 -3.757 -3.703 8.757 1.00 0.00 C ATOM 141 CG ARG A 29 -3.398 -2.286 8.322 1.00 0.00 C ATOM 142 CD ARG A 29 -1.904 -2.127 8.087 1.00 0.00 C ATOM 143 NE ARG A 29 -1.553 -2.334 6.686 1.00 0.00 N ATOM 144 CZ ARG A 29 -1.306 -3.527 6.153 1.00 0.00 C ATOM 145 NH1 ARG A 29 -1.346 -4.620 6.906 1.00 0.00 N ATOM 146 NH2 ARG A 29 -1.016 -3.628 4.865 1.00 0.00 N ATOM 0 H ARG A 29 -5.963 -3.256 7.159 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.621 -5.070 7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.436 -3.647 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.853 -4.203 9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.938 -2.039 7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.723 -1.579 9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.591 -1.130 8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.360 -2.839 8.707 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.494 -1.516 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.567 -4.547 7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.156 -5.532 6.491 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.982 -2.791 4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.826 -4.543 4.455 1.00 0.00 H new ATOM 160 N SER A 30 -5.066 -6.866 8.079 1.00 0.00 N ATOM 161 CA SER A 30 -5.898 -7.917 8.655 1.00 0.00 C ATOM 162 C SER A 30 -5.361 -8.334 10.023 1.00 0.00 C ATOM 163 O SER A 30 -5.871 -7.909 11.059 1.00 0.00 O ATOM 164 CB SER A 30 -5.956 -9.127 7.719 1.00 0.00 C ATOM 165 OG SER A 30 -6.554 -10.240 8.360 1.00 0.00 O ATOM 0 H SER A 30 -4.289 -7.200 7.509 1.00 0.00 H new ATOM 0 HA SER A 30 -6.907 -7.525 8.781 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.523 -8.871 6.824 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.949 -9.388 7.395 1.00 0.00 H new ATOM 0 HG SER A 30 -6.581 -10.999 7.741 1.00 0.00 H new ATOM 171 N LEU A 31 -4.321 -9.158 10.009 1.00 0.00 N ATOM 172 CA LEU A 31 -3.688 -9.634 11.233 1.00 0.00 C ATOM 173 C LEU A 31 -2.230 -9.965 10.951 1.00 0.00 C ATOM 174 O LEU A 31 -1.318 -9.385 11.541 1.00 0.00 O ATOM 175 CB LEU A 31 -4.415 -10.870 11.769 1.00 0.00 C ATOM 176 CG LEU A 31 -5.595 -10.578 12.698 1.00 0.00 C ATOM 177 CD1 LEU A 31 -6.580 -11.737 12.691 1.00 0.00 C ATOM 178 CD2 LEU A 31 -5.104 -10.302 14.111 1.00 0.00 C ATOM 0 H LEU A 31 -3.894 -9.514 9.154 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.743 -8.851 11.989 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.775 -11.456 10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.697 -11.491 12.304 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.109 -9.689 12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.412 -11.511 13.357 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.956 -11.889 11.679 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.078 -12.643 13.031 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.956 -10.096 14.759 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.565 -11.172 14.486 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.438 -9.439 14.103 1.00 0.00 H new ATOM 190 N LYS A 32 -2.026 -10.886 10.018 1.00 0.00 N ATOM 191 CA LYS A 32 -0.690 -11.294 9.610 1.00 0.00 C ATOM 192 C LYS A 32 -0.480 -11.002 8.123 1.00 0.00 C ATOM 193 O LYS A 32 0.571 -11.309 7.559 1.00 0.00 O ATOM 194 CB LYS A 32 -0.483 -12.783 9.888 1.00 0.00 C ATOM 195 CG LYS A 32 -1.349 -13.693 9.029 1.00 0.00 C ATOM 196 CD LYS A 32 -2.177 -14.644 9.879 1.00 0.00 C ATOM 197 CE LYS A 32 -3.060 -15.534 9.020 1.00 0.00 C ATOM 198 NZ LYS A 32 -2.311 -16.699 8.470 1.00 0.00 N ATOM 0 H LYS A 32 -2.778 -11.368 9.526 1.00 0.00 H new ATOM 0 HA LYS A 32 0.040 -10.725 10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.565 -13.032 9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.695 -12.980 10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.011 -13.088 8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.715 -14.267 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.515 -15.263 10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.797 -14.071 10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.901 -15.891 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.475 -14.949 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.950 -17.280 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.523 -16.359 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.937 -17.272 9.253 1.00 0.00 H new ATOM 212 N HIS A 33 -1.498 -10.414 7.497 1.00 0.00 N ATOM 213 CA HIS A 33 -1.452 -10.081 6.079 1.00 0.00 C ATOM 214 C HIS A 33 -1.037 -8.630 5.863 1.00 0.00 C ATOM 215 O HIS A 33 -0.888 -7.865 6.816 1.00 0.00 O ATOM 216 CB HIS A 33 -2.824 -10.309 5.446 1.00 0.00 C ATOM 217 CG HIS A 33 -3.051 -11.710 4.978 1.00 0.00 C ATOM 218 ND1 HIS A 33 -2.323 -12.789 5.433 1.00 0.00 N ATOM 219 CD2 HIS A 33 -3.942 -12.206 4.090 1.00 0.00 C ATOM 220 CE1 HIS A 33 -2.757 -13.889 4.843 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.740 -13.562 4.024 1.00 0.00 N ATOM 0 H HIS A 33 -2.371 -10.157 7.957 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.711 -10.728 5.609 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.595 -10.049 6.171 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.940 -9.631 4.601 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.676 -11.640 3.536 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.373 -14.886 5.003 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.264 -14.212 3.438 1.00 0.00 H new ATOM 230 N ILE A 34 -0.857 -8.261 4.599 1.00 0.00 N ATOM 231 CA ILE A 34 -0.468 -6.921 4.236 1.00 0.00 C ATOM 232 C ILE A 34 -1.019 -6.563 2.853 1.00 0.00 C ATOM 233 O ILE A 34 -0.598 -7.137 1.849 1.00 0.00 O ATOM 234 CB ILE A 34 1.066 -6.797 4.238 1.00 0.00 C ATOM 235 CG1 ILE A 34 1.472 -5.362 3.970 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.691 -7.735 3.218 1.00 0.00 C ATOM 237 CD1 ILE A 34 1.542 -4.546 5.230 1.00 0.00 C ATOM 0 H ILE A 34 -0.979 -8.889 3.805 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.882 -6.228 4.969 1.00 0.00 H new ATOM 0 HB ILE A 34 1.434 -7.086 5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.443 -5.348 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.758 -4.907 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.775 -7.627 3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.424 -8.764 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.322 -7.488 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.837 -3.525 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.564 -4.536 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.276 -4.984 5.907 1.00 0.00 H new ATOM 249 N TYR A 35 -1.975 -5.631 2.796 1.00 0.00 N ATOM 250 CA TYR A 35 -2.572 -5.247 1.521 1.00 0.00 C ATOM 251 C TYR A 35 -2.737 -3.733 1.388 1.00 0.00 C ATOM 252 O TYR A 35 -3.137 -3.054 2.330 1.00 0.00 O ATOM 253 CB TYR A 35 -3.950 -5.902 1.370 1.00 0.00 C ATOM 254 CG TYR A 35 -3.919 -7.400 1.159 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.450 -8.256 2.148 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.370 -7.959 -0.031 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.432 -9.625 1.956 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.354 -9.326 -0.230 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.884 -10.154 0.766 1.00 0.00 C ATOM 260 OH TYR A 35 -3.870 -11.516 0.573 1.00 0.00 O ATOM 0 H TYR A 35 -2.346 -5.137 3.608 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.893 -5.588 0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.539 -5.687 2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.466 -5.441 0.528 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.094 -7.845 3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.739 -7.313 -0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.065 -10.277 2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.708 -9.743 -1.161 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.222 -11.724 -0.318 1.00 0.00 H new ATOM 270 N ALA A 36 -2.476 -3.229 0.185 1.00 0.00 N ATOM 271 CA ALA A 36 -2.647 -1.809 -0.120 1.00 0.00 C ATOM 272 C ALA A 36 -3.493 -1.664 -1.375 1.00 0.00 C ATOM 273 O ALA A 36 -3.202 -2.274 -2.406 1.00 0.00 O ATOM 274 CB ALA A 36 -1.320 -1.081 -0.305 1.00 0.00 C ATOM 0 H ALA A 36 -2.143 -3.787 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.145 -1.349 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.509 -0.031 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.733 -1.157 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.768 -1.534 -1.128 1.00 0.00 H new ATOM 280 N GLN A 37 -4.540 -0.863 -1.282 1.00 0.00 N ATOM 281 CA GLN A 37 -5.434 -0.645 -2.409 1.00 0.00 C ATOM 282 C GLN A 37 -5.355 0.793 -2.890 1.00 0.00 C ATOM 283 O GLN A 37 -5.744 1.722 -2.182 1.00 0.00 O ATOM 284 CB GLN A 37 -6.876 -0.991 -2.029 1.00 0.00 C ATOM 285 CG GLN A 37 -7.620 -1.762 -3.107 1.00 0.00 C ATOM 286 CD GLN A 37 -7.554 -3.262 -2.901 1.00 0.00 C ATOM 287 OE1 GLN A 37 -8.551 -3.967 -3.059 1.00 0.00 O ATOM 288 NE2 GLN A 37 -6.375 -3.759 -2.546 1.00 0.00 N ATOM 0 H GLN A 37 -4.793 -0.351 -0.437 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.118 -1.301 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.870 -1.579 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.417 -0.070 -1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.663 -1.446 -3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.200 -1.514 -4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.575 -3.138 -2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.269 -4.762 -2.393 1.00 0.00 H new ATOM 297 N ILE A 38 -4.855 0.966 -4.101 1.00 0.00 N ATOM 298 CA ILE A 38 -4.730 2.286 -4.691 1.00 0.00 C ATOM 299 C ILE A 38 -5.910 2.536 -5.621 1.00 0.00 C ATOM 300 O ILE A 38 -5.912 2.108 -6.778 1.00 0.00 O ATOM 301 CB ILE A 38 -3.405 2.453 -5.462 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.304 1.541 -4.869 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.985 3.916 -5.450 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.390 2.203 -3.860 1.00 0.00 C ATOM 0 H ILE A 38 -4.528 0.205 -4.696 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.728 3.017 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.554 2.147 -6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.782 0.684 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.696 1.154 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.048 4.030 -5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.758 4.520 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.848 4.247 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.655 1.480 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.877 3.042 -4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.979 2.564 -3.017 1.00 0.00 H new ATOM 316 N ILE A 39 -6.928 3.194 -5.077 1.00 0.00 N ATOM 317 CA ILE A 39 -8.160 3.476 -5.811 1.00 0.00 C ATOM 318 C ILE A 39 -8.170 4.863 -6.439 1.00 0.00 C ATOM 319 O ILE A 39 -7.395 5.740 -6.063 1.00 0.00 O ATOM 320 CB ILE A 39 -9.381 3.377 -4.873 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.273 2.145 -3.977 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.676 3.355 -5.669 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.675 2.449 -2.622 1.00 0.00 C ATOM 0 H ILE A 39 -6.925 3.546 -4.120 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.211 2.731 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.393 4.262 -4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.265 1.713 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.663 1.392 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.522 3.285 -4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.758 4.270 -6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.677 2.494 -6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.625 1.533 -2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.671 2.853 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.297 3.180 -2.105 1.00 0.00 H new ATOM 335 N ASP A 40 -9.091 5.054 -7.380 1.00 0.00 N ATOM 336 CA ASP A 40 -9.265 6.330 -8.049 1.00 0.00 C ATOM 337 C ASP A 40 -10.365 7.107 -7.340 1.00 0.00 C ATOM 338 O ASP A 40 -11.528 6.677 -7.324 1.00 0.00 O ATOM 339 CB ASP A 40 -9.629 6.134 -9.523 1.00 0.00 C ATOM 340 CG ASP A 40 -8.976 7.165 -10.422 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.102 8.373 -10.129 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.338 6.766 -11.419 1.00 0.00 O ATOM 0 H ASP A 40 -9.734 4.328 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.327 6.884 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.326 5.136 -9.840 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.712 6.190 -9.638 1.00 0.00 H new ATOM 347 N ASP A 41 -9.968 8.227 -6.737 1.00 0.00 N ATOM 348 CA ASP A 41 -10.872 9.094 -5.976 1.00 0.00 C ATOM 349 C ASP A 41 -11.510 10.175 -6.848 1.00 0.00 C ATOM 350 O ASP A 41 -11.980 11.195 -6.343 1.00 0.00 O ATOM 351 CB ASP A 41 -10.119 9.747 -4.816 1.00 0.00 C ATOM 352 CG ASP A 41 -11.050 10.442 -3.842 1.00 0.00 C ATOM 353 OD1 ASP A 41 -12.039 9.811 -3.413 1.00 0.00 O ATOM 354 OD2 ASP A 41 -10.790 11.617 -3.508 1.00 0.00 O ATOM 0 H ASP A 41 -9.005 8.562 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.674 8.464 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.544 8.988 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.405 10.470 -5.211 1.00 0.00 H new ATOM 359 N GLU A 42 -11.575 9.916 -8.142 1.00 0.00 N ATOM 360 CA GLU A 42 -12.216 10.827 -9.087 1.00 0.00 C ATOM 361 C GLU A 42 -13.497 10.142 -9.493 1.00 0.00 C ATOM 362 O GLU A 42 -14.597 10.692 -9.417 1.00 0.00 O ATOM 363 CB GLU A 42 -11.320 11.082 -10.303 1.00 0.00 C ATOM 364 CG GLU A 42 -12.015 11.832 -11.428 1.00 0.00 C ATOM 365 CD GLU A 42 -11.037 12.457 -12.403 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.411 11.707 -13.180 1.00 0.00 O ATOM 367 OE2 GLU A 42 -10.896 13.698 -12.389 1.00 0.00 O ATOM 0 H GLU A 42 -11.189 9.075 -8.570 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.403 11.804 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.445 11.650 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.959 10.127 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.671 11.147 -11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.648 12.612 -11.004 1.00 0.00 H new ATOM 374 N LYS A 43 -13.310 8.880 -9.821 1.00 0.00 N ATOM 375 CA LYS A 43 -14.370 7.968 -10.138 1.00 0.00 C ATOM 376 C LYS A 43 -14.023 6.701 -9.385 1.00 0.00 C ATOM 377 O LYS A 43 -12.959 6.130 -9.612 1.00 0.00 O ATOM 378 CB LYS A 43 -14.442 7.704 -11.644 1.00 0.00 C ATOM 379 CG LYS A 43 -15.355 8.665 -12.389 1.00 0.00 C ATOM 380 CD LYS A 43 -14.564 9.639 -13.248 1.00 0.00 C ATOM 381 CE LYS A 43 -14.621 9.262 -14.720 1.00 0.00 C ATOM 382 NZ LYS A 43 -14.784 10.457 -15.594 1.00 0.00 N ATOM 0 H LYS A 43 -12.384 8.456 -9.874 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.346 8.363 -9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.438 7.770 -12.064 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.790 6.684 -11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.043 8.100 -13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.961 9.220 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.959 10.646 -13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.526 9.657 -12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.708 8.733 -14.995 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.450 8.575 -14.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.818 10.157 -16.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.668 10.948 -15.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.980 11.102 -15.454 1.00 0.00 H new ATOM 396 N GLY A 44 -14.879 6.288 -8.462 1.00 0.00 N ATOM 397 CA GLY A 44 -14.582 5.108 -7.668 1.00 0.00 C ATOM 398 C GLY A 44 -14.037 3.975 -8.507 1.00 0.00 C ATOM 399 O GLY A 44 -14.799 3.170 -9.044 1.00 0.00 O ATOM 0 H GLY A 44 -15.767 6.742 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.858 5.366 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.488 4.778 -7.159 1.00 0.00 H new ATOM 403 N VAL A 45 -12.713 3.931 -8.657 1.00 0.00 N ATOM 404 CA VAL A 45 -12.097 2.898 -9.487 1.00 0.00 C ATOM 405 C VAL A 45 -10.813 2.333 -8.884 1.00 0.00 C ATOM 406 O VAL A 45 -9.796 3.014 -8.834 1.00 0.00 O ATOM 407 CB VAL A 45 -11.768 3.472 -10.881 1.00 0.00 C ATOM 408 CG1 VAL A 45 -11.015 2.455 -11.730 1.00 0.00 C ATOM 409 CG2 VAL A 45 -13.038 3.922 -11.587 1.00 0.00 C ATOM 0 H VAL A 45 -12.059 4.584 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.821 2.086 -9.555 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.122 4.339 -10.744 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.797 2.887 -12.707 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.082 2.187 -11.235 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.627 1.562 -11.857 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.786 4.324 -12.568 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.710 3.072 -11.705 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.530 4.693 -10.994 1.00 0.00 H new ATOM 419 N THR A 46 -10.846 1.065 -8.479 1.00 0.00 N ATOM 420 CA THR A 46 -9.655 0.421 -7.935 1.00 0.00 C ATOM 421 C THR A 46 -8.666 0.164 -9.067 1.00 0.00 C ATOM 422 O THR A 46 -8.942 -0.620 -9.975 1.00 0.00 O ATOM 423 CB THR A 46 -10.014 -0.893 -7.234 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.236 -0.767 -6.528 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.959 -1.356 -6.247 1.00 0.00 C ATOM 0 H THR A 46 -11.674 0.470 -8.517 1.00 0.00 H new ATOM 0 HA THR A 46 -9.202 1.080 -7.194 1.00 0.00 H new ATOM 0 HB THR A 46 -10.092 -1.633 -8.031 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.449 -1.617 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.277 -2.292 -5.787 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.015 -1.511 -6.769 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.826 -0.599 -5.475 1.00 0.00 H new ATOM 433 N LEU A 47 -7.528 0.846 -9.026 1.00 0.00 N ATOM 434 CA LEU A 47 -6.523 0.705 -10.072 1.00 0.00 C ATOM 435 C LEU A 47 -5.486 -0.353 -9.727 1.00 0.00 C ATOM 436 O LEU A 47 -5.387 -1.377 -10.403 1.00 0.00 O ATOM 437 CB LEU A 47 -5.825 2.040 -10.333 1.00 0.00 C ATOM 438 CG LEU A 47 -6.750 3.246 -10.439 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.987 3.878 -9.075 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.176 4.266 -11.409 1.00 0.00 C ATOM 0 H LEU A 47 -7.279 1.499 -8.283 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.046 0.385 -10.973 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.109 2.221 -9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.253 1.958 -11.258 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.712 2.904 -10.819 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.651 4.736 -9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.445 3.146 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.036 4.205 -8.655 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.847 5.123 -11.475 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.200 4.596 -11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.069 3.812 -12.394 1.00 0.00 H new ATOM 452 N VAL A 48 -4.698 -0.096 -8.690 1.00 0.00 N ATOM 453 CA VAL A 48 -3.658 -1.027 -8.291 1.00 0.00 C ATOM 454 C VAL A 48 -3.892 -1.561 -6.882 1.00 0.00 C ATOM 455 O VAL A 48 -4.426 -0.868 -6.017 1.00 0.00 O ATOM 456 CB VAL A 48 -2.268 -0.357 -8.382 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.294 -0.953 -7.378 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.719 -0.470 -9.797 1.00 0.00 C ATOM 0 H VAL A 48 -4.761 0.744 -8.115 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.692 -1.872 -8.979 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.388 0.698 -8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.327 -0.458 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.679 -0.810 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.176 -2.019 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.740 0.006 -9.846 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.625 -1.522 -10.068 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.398 0.025 -10.491 1.00 0.00 H new ATOM 468 N SER A 49 -3.467 -2.799 -6.665 1.00 0.00 N ATOM 469 CA SER A 49 -3.600 -3.450 -5.370 1.00 0.00 C ATOM 470 C SER A 49 -2.465 -4.447 -5.179 1.00 0.00 C ATOM 471 O SER A 49 -2.359 -5.430 -5.913 1.00 0.00 O ATOM 472 CB SER A 49 -4.952 -4.153 -5.261 1.00 0.00 C ATOM 473 OG SER A 49 -5.120 -5.105 -6.297 1.00 0.00 O ATOM 0 H SER A 49 -3.023 -3.377 -7.378 1.00 0.00 H new ATOM 0 HA SER A 49 -3.545 -2.695 -4.586 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.031 -4.648 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.753 -3.415 -5.308 1.00 0.00 H new ATOM 0 HG SER A 49 -4.251 -5.496 -6.526 1.00 0.00 H new ATOM 479 N ALA A 50 -1.606 -4.178 -4.205 1.00 0.00 N ATOM 480 CA ALA A 50 -0.464 -5.047 -3.941 1.00 0.00 C ATOM 481 C ALA A 50 -0.452 -5.546 -2.502 1.00 0.00 C ATOM 482 O ALA A 50 -0.736 -4.796 -1.568 1.00 0.00 O ATOM 483 CB ALA A 50 0.833 -4.318 -4.258 1.00 0.00 C ATOM 0 H ALA A 50 -1.676 -3.370 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.555 -5.919 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.679 -4.976 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.840 -4.028 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.911 -3.427 -3.635 1.00 0.00 H new ATOM 489 N SER A 51 -0.115 -6.820 -2.335 1.00 0.00 N ATOM 490 CA SER A 51 -0.055 -7.433 -1.015 1.00 0.00 C ATOM 491 C SER A 51 0.985 -8.548 -0.985 1.00 0.00 C ATOM 492 O SER A 51 1.021 -9.398 -1.874 1.00 0.00 O ATOM 493 CB SER A 51 -1.426 -7.983 -0.627 1.00 0.00 C ATOM 494 OG SER A 51 -1.931 -8.849 -1.629 1.00 0.00 O ATOM 0 H SER A 51 0.122 -7.450 -3.102 1.00 0.00 H new ATOM 0 HA SER A 51 0.238 -6.669 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.351 -8.520 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.121 -7.158 -0.471 1.00 0.00 H new ATOM 0 HG SER A 51 -2.894 -8.975 -1.497 1.00 0.00 H new ATOM 500 N SER A 52 1.829 -8.542 0.043 1.00 0.00 N ATOM 501 CA SER A 52 2.868 -9.561 0.182 1.00 0.00 C ATOM 502 C SER A 52 2.274 -10.961 0.061 1.00 0.00 C ATOM 503 O SER A 52 2.916 -11.877 -0.452 1.00 0.00 O ATOM 504 CB SER A 52 3.588 -9.414 1.524 1.00 0.00 C ATOM 505 OG SER A 52 4.023 -8.080 1.727 1.00 0.00 O ATOM 0 H SER A 52 1.815 -7.847 0.789 1.00 0.00 H new ATOM 0 HA SER A 52 3.589 -9.418 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.920 -9.709 2.333 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.444 -10.088 1.556 1.00 0.00 H new ATOM 0 HG SER A 52 4.561 -8.032 2.545 1.00 0.00 H new ATOM 679 N GLU A 63 8.897 -6.386 7.849 1.00 0.00 N ATOM 680 CA GLU A 63 10.186 -6.359 7.165 1.00 0.00 C ATOM 681 C GLU A 63 10.012 -6.162 5.660 1.00 0.00 C ATOM 682 O GLU A 63 10.788 -5.447 5.026 1.00 0.00 O ATOM 683 CB GLU A 63 10.959 -7.651 7.440 1.00 0.00 C ATOM 684 CG GLU A 63 12.234 -7.437 8.240 1.00 0.00 C ATOM 685 CD GLU A 63 13.384 -6.943 7.384 1.00 0.00 C ATOM 686 OE1 GLU A 63 13.689 -7.597 6.364 1.00 0.00 O ATOM 687 OE2 GLU A 63 13.981 -5.904 7.735 1.00 0.00 O ATOM 0 HA GLU A 63 10.753 -5.513 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.313 -8.344 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.210 -8.124 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.043 -6.717 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.519 -8.373 8.720 1.00 0.00 H new ATOM 694 N VAL A 64 8.993 -6.800 5.093 1.00 0.00 N ATOM 695 CA VAL A 64 8.730 -6.690 3.664 1.00 0.00 C ATOM 696 C VAL A 64 7.714 -5.596 3.359 1.00 0.00 C ATOM 697 O VAL A 64 7.672 -5.093 2.242 1.00 0.00 O ATOM 698 CB VAL A 64 8.223 -8.023 3.073 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.789 -7.852 1.618 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.300 -9.091 3.190 1.00 0.00 C ATOM 0 H VAL A 64 8.339 -7.396 5.600 1.00 0.00 H new ATOM 0 HA VAL A 64 9.682 -6.432 3.199 1.00 0.00 H new ATOM 0 HB VAL A 64 7.350 -8.340 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.437 -8.807 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.985 -7.119 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.636 -7.508 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.931 -10.027 2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.188 -8.773 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.553 -9.239 4.240 1.00 0.00 H new ATOM 710 N ALA A 65 6.887 -5.242 4.344 1.00 0.00 N ATOM 711 CA ALA A 65 5.863 -4.213 4.151 1.00 0.00 C ATOM 712 C ALA A 65 6.334 -3.122 3.195 1.00 0.00 C ATOM 713 O ALA A 65 5.580 -2.656 2.348 1.00 0.00 O ATOM 714 CB ALA A 65 5.457 -3.609 5.479 1.00 0.00 C ATOM 0 H ALA A 65 6.905 -5.650 5.279 1.00 0.00 H new ATOM 0 HA ALA A 65 4.995 -4.696 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.696 -2.847 5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.056 -4.389 6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.327 -3.156 5.954 1.00 0.00 H new ATOM 720 N ARG A 66 7.594 -2.742 3.316 1.00 0.00 N ATOM 721 CA ARG A 66 8.160 -1.732 2.436 1.00 0.00 C ATOM 722 C ARG A 66 8.235 -2.281 1.038 1.00 0.00 C ATOM 723 O ARG A 66 7.625 -1.757 0.108 1.00 0.00 O ATOM 724 CB ARG A 66 9.548 -1.336 2.899 1.00 0.00 C ATOM 725 CG ARG A 66 9.731 0.158 2.946 1.00 0.00 C ATOM 726 CD ARG A 66 10.917 0.598 2.123 1.00 0.00 C ATOM 727 NE ARG A 66 12.167 -0.003 2.586 1.00 0.00 N ATOM 728 CZ ARG A 66 12.756 -1.049 2.007 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.211 -1.629 0.944 1.00 0.00 N ATOM 730 NH2 ARG A 66 13.895 -1.519 2.496 1.00 0.00 N ATOM 0 H ARG A 66 8.242 -3.114 4.010 1.00 0.00 H new ATOM 0 HA ARG A 66 7.522 -0.848 2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.731 -1.753 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.290 -1.770 2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.830 0.647 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.866 0.476 3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.752 0.330 1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.002 1.684 2.163 1.00 0.00 H new ATOM 0 HE ARG A 66 12.617 0.405 3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.334 -1.274 0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.670 -2.429 0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.319 -1.080 3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.348 -2.319 2.055 1.00 0.00 H new ATOM 744 N GLN A 67 8.969 -3.367 0.910 1.00 0.00 N ATOM 745 CA GLN A 67 9.107 -4.044 -0.365 1.00 0.00 C ATOM 746 C GLN A 67 7.722 -4.263 -0.970 1.00 0.00 C ATOM 747 O GLN A 67 7.562 -4.325 -2.192 1.00 0.00 O ATOM 748 CB GLN A 67 9.825 -5.382 -0.186 1.00 0.00 C ATOM 749 CG GLN A 67 11.330 -5.249 -0.023 1.00 0.00 C ATOM 750 CD GLN A 67 11.981 -6.536 0.445 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.278 -7.422 -0.357 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.207 -6.646 1.749 1.00 0.00 N ATOM 0 H GLN A 67 9.482 -3.802 1.677 1.00 0.00 H new ATOM 0 HA GLN A 67 9.703 -3.426 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.417 -5.889 0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.616 -6.015 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.770 -4.949 -0.974 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.546 -4.456 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.945 -5.887 2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.643 -7.490 2.122 1.00 0.00 H new ATOM 761 N VAL A 68 6.706 -4.345 -0.103 1.00 0.00 N ATOM 762 CA VAL A 68 5.345 -4.519 -0.583 1.00 0.00 C ATOM 763 C VAL A 68 4.819 -3.189 -1.098 1.00 0.00 C ATOM 764 O VAL A 68 4.044 -3.138 -2.053 1.00 0.00 O ATOM 765 CB VAL A 68 4.379 -5.114 0.481 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.669 -4.051 1.316 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.352 -5.984 -0.214 1.00 0.00 C ATOM 0 H VAL A 68 6.803 -4.294 0.911 1.00 0.00 H new ATOM 0 HA VAL A 68 5.382 -5.250 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 68 4.985 -5.699 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.011 -4.535 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.409 -3.450 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.080 -3.408 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.671 -6.405 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.787 -5.382 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.858 -6.792 -0.743 1.00 0.00 H new ATOM 777 N GLY A 69 5.275 -2.109 -0.468 1.00 0.00 N ATOM 778 CA GLY A 69 4.870 -0.792 -0.887 1.00 0.00 C ATOM 779 C GLY A 69 5.597 -0.382 -2.145 1.00 0.00 C ATOM 780 O GLY A 69 5.097 0.426 -2.911 1.00 0.00 O ATOM 0 H GLY A 69 5.917 -2.130 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.794 -0.776 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.075 -0.074 -0.093 1.00 0.00 H new ATOM 784 N ARG A 70 6.791 -0.944 -2.355 1.00 0.00 N ATOM 785 CA ARG A 70 7.576 -0.628 -3.541 1.00 0.00 C ATOM 786 C ARG A 70 6.954 -1.294 -4.752 1.00 0.00 C ATOM 787 O ARG A 70 6.868 -0.694 -5.814 1.00 0.00 O ATOM 788 CB ARG A 70 9.048 -1.037 -3.365 1.00 0.00 C ATOM 789 CG ARG A 70 9.345 -2.504 -3.647 1.00 0.00 C ATOM 790 CD ARG A 70 10.812 -2.715 -3.986 1.00 0.00 C ATOM 791 NE ARG A 70 11.287 -4.033 -3.572 1.00 0.00 N ATOM 792 CZ ARG A 70 11.043 -5.154 -4.246 1.00 0.00 C ATOM 793 NH1 ARG A 70 10.326 -5.123 -5.363 1.00 0.00 N ATOM 794 NH2 ARG A 70 11.517 -6.311 -3.803 1.00 0.00 N ATOM 0 H ARG A 70 7.228 -1.614 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 70 7.567 0.451 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.662 -0.424 -4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.353 -0.810 -2.344 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.081 -3.105 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.725 -2.850 -4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.956 -2.599 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.411 -1.945 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 70 11.838 -4.098 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.959 -4.236 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.142 -5.986 -5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.069 -6.341 -2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.330 -7.170 -4.320 1.00 0.00 H new ATOM 808 N ALA A 71 6.484 -2.524 -4.581 1.00 0.00 N ATOM 809 CA ALA A 71 5.830 -3.224 -5.674 1.00 0.00 C ATOM 810 C ALA A 71 4.503 -2.545 -5.978 1.00 0.00 C ATOM 811 O ALA A 71 4.096 -2.425 -7.133 1.00 0.00 O ATOM 812 CB ALA A 71 5.609 -4.681 -5.324 1.00 0.00 C ATOM 0 H ALA A 71 6.543 -3.049 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 71 6.470 -3.186 -6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.118 -5.185 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.569 -5.157 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.980 -4.751 -4.436 1.00 0.00 H new ATOM 818 N LEU A 72 3.854 -2.074 -4.918 1.00 0.00 N ATOM 819 CA LEU A 72 2.588 -1.368 -5.029 1.00 0.00 C ATOM 820 C LEU A 72 2.826 -0.031 -5.696 1.00 0.00 C ATOM 821 O LEU A 72 2.201 0.316 -6.697 1.00 0.00 O ATOM 822 CB LEU A 72 2.012 -1.144 -3.634 1.00 0.00 C ATOM 823 CG LEU A 72 0.730 -0.312 -3.577 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.481 -1.207 -3.355 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.832 0.740 -2.479 1.00 0.00 C ATOM 0 H LEU A 72 4.192 -2.172 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 72 1.887 -1.955 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.814 -2.116 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.769 -0.655 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 72 0.604 0.197 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.383 -0.596 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.561 -1.921 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.368 -1.745 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.087 1.325 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.981 0.249 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.675 1.399 -2.684 1.00 0.00 H new ATOM 837 N ALA A 73 3.758 0.704 -5.123 1.00 0.00 N ATOM 838 CA ALA A 73 4.133 2.009 -5.638 1.00 0.00 C ATOM 839 C ALA A 73 4.719 1.883 -7.021 1.00 0.00 C ATOM 840 O ALA A 73 4.651 2.813 -7.816 1.00 0.00 O ATOM 841 CB ALA A 73 5.110 2.705 -4.707 1.00 0.00 C ATOM 0 H ALA A 73 4.275 0.417 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 73 3.232 2.619 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.373 3.680 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.649 2.837 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.010 2.099 -4.606 1.00 0.00 H new ATOM 847 N GLU A 74 5.264 0.719 -7.318 1.00 0.00 N ATOM 848 CA GLU A 74 5.820 0.474 -8.624 1.00 0.00 C ATOM 849 C GLU A 74 4.666 0.193 -9.580 1.00 0.00 C ATOM 850 O GLU A 74 4.718 0.523 -10.765 1.00 0.00 O ATOM 851 CB GLU A 74 6.812 -0.683 -8.563 1.00 0.00 C ATOM 852 CG GLU A 74 8.183 -0.281 -8.041 1.00 0.00 C ATOM 853 CD GLU A 74 8.940 -1.445 -7.433 1.00 0.00 C ATOM 854 OE1 GLU A 74 9.080 -2.483 -8.115 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.392 -1.320 -6.276 1.00 0.00 O ATOM 0 H GLU A 74 5.331 -0.067 -6.671 1.00 0.00 H new ATOM 0 HA GLU A 74 6.373 1.342 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.405 -1.467 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.922 -1.109 -9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.769 0.142 -8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.067 0.503 -7.293 1.00 0.00 H new ATOM 862 N LYS A 75 3.597 -0.376 -9.018 1.00 0.00 N ATOM 863 CA LYS A 75 2.381 -0.665 -9.753 1.00 0.00 C ATOM 864 C LYS A 75 1.657 0.631 -10.058 1.00 0.00 C ATOM 865 O LYS A 75 1.584 1.075 -11.203 1.00 0.00 O ATOM 866 CB LYS A 75 1.475 -1.549 -8.903 1.00 0.00 C ATOM 867 CG LYS A 75 1.759 -3.008 -9.076 1.00 0.00 C ATOM 868 CD LYS A 75 0.520 -3.854 -8.831 1.00 0.00 C ATOM 869 CE LYS A 75 0.782 -5.325 -9.108 1.00 0.00 C ATOM 870 NZ LYS A 75 0.392 -6.185 -7.956 1.00 0.00 N ATOM 0 H LYS A 75 3.559 -0.647 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 75 2.632 -1.176 -10.682 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.596 -1.282 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.435 -1.353 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.130 -3.190 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.548 -3.310 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.193 -3.730 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.293 -3.503 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.227 -5.632 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.840 -5.470 -9.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.586 -7.181 -8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.940 -5.909 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.623 -6.066 -7.762 1.00 0.00 H new ATOM 884 N ALA A 76 1.137 1.234 -8.996 1.00 0.00 N ATOM 885 CA ALA A 76 0.416 2.505 -9.093 1.00 0.00 C ATOM 886 C ALA A 76 1.175 3.472 -9.990 1.00 0.00 C ATOM 887 O ALA A 76 0.597 4.159 -10.833 1.00 0.00 O ATOM 888 CB ALA A 76 0.229 3.126 -7.716 1.00 0.00 C ATOM 0 H ALA A 76 1.200 0.862 -8.048 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.565 2.307 -9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.309 4.069 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.342 2.445 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.204 3.309 -7.264 1.00 0.00 H new ATOM 894 N LEU A 77 2.484 3.502 -9.802 1.00 0.00 N ATOM 895 CA LEU A 77 3.346 4.357 -10.592 1.00 0.00 C ATOM 896 C LEU A 77 3.178 4.089 -12.079 1.00 0.00 C ATOM 897 O LEU A 77 3.186 5.010 -12.895 1.00 0.00 O ATOM 898 CB LEU A 77 4.799 4.137 -10.195 1.00 0.00 C ATOM 899 CG LEU A 77 5.344 5.079 -9.125 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.794 4.737 -8.821 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.215 6.527 -9.574 1.00 0.00 C ATOM 0 H LEU A 77 2.972 2.940 -9.105 1.00 0.00 H new ATOM 0 HA LEU A 77 3.063 5.391 -10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.908 3.112 -9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.418 4.233 -11.087 1.00 0.00 H new ATOM 0 HG LEU A 77 4.759 4.954 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.175 5.414 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.858 3.710 -8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.390 4.841 -9.728 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.608 7.185 -8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.779 6.674 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.165 6.761 -9.750 1.00 0.00 H new ATOM 913 N ALA A 78 3.028 2.818 -12.423 1.00 0.00 N ATOM 914 CA ALA A 78 2.856 2.414 -13.809 1.00 0.00 C ATOM 915 C ALA A 78 1.719 3.190 -14.470 1.00 0.00 C ATOM 916 O ALA A 78 1.705 3.377 -15.686 1.00 0.00 O ATOM 917 CB ALA A 78 2.615 0.920 -13.874 1.00 0.00 C ATOM 0 H ALA A 78 3.022 2.046 -11.757 1.00 0.00 H new ATOM 0 HA ALA A 78 3.766 2.646 -14.362 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.486 0.617 -14.913 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.469 0.395 -13.446 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.716 0.672 -13.309 1.00 0.00 H new ATOM 923 N LEU A 79 0.787 3.673 -13.652 1.00 0.00 N ATOM 924 CA LEU A 79 -0.329 4.466 -14.142 1.00 0.00 C ATOM 925 C LEU A 79 0.068 5.936 -14.141 1.00 0.00 C ATOM 926 O LEU A 79 -0.459 6.745 -14.906 1.00 0.00 O ATOM 927 CB LEU A 79 -1.579 4.292 -13.262 1.00 0.00 C ATOM 928 CG LEU A 79 -1.609 3.083 -12.320 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.170 3.492 -10.966 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.440 1.959 -12.923 1.00 0.00 C ATOM 0 H LEU A 79 0.786 3.526 -12.643 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.568 4.126 -15.150 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.696 5.193 -12.660 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.448 4.231 -13.917 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.591 2.720 -12.183 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.188 2.627 -10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.541 4.269 -10.531 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.183 3.873 -11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.451 1.108 -12.241 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.460 2.307 -13.085 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.005 1.655 -13.875 1.00 0.00 H new ATOM 942 N GLY A 80 0.992 6.264 -13.247 1.00 0.00 N ATOM 943 CA GLY A 80 1.460 7.622 -13.101 1.00 0.00 C ATOM 944 C GLY A 80 0.977 8.227 -11.800 1.00 0.00 C ATOM 945 O GLY A 80 0.909 9.448 -11.657 1.00 0.00 O ATOM 0 H GLY A 80 1.430 5.597 -12.611 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.549 7.640 -13.132 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.107 8.224 -13.939 1.00 0.00 H new ATOM 949 N ILE A 81 0.635 7.359 -10.848 1.00 0.00 N ATOM 950 CA ILE A 81 0.148 7.797 -9.552 1.00 0.00 C ATOM 951 C ILE A 81 1.309 8.107 -8.615 1.00 0.00 C ATOM 952 O ILE A 81 1.944 7.205 -8.068 1.00 0.00 O ATOM 953 CB ILE A 81 -0.784 6.729 -8.924 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.145 6.694 -9.643 1.00 0.00 C ATOM 955 CG2 ILE A 81 -0.987 6.985 -7.433 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.172 7.380 -10.996 1.00 0.00 C ATOM 0 H ILE A 81 0.689 6.346 -10.956 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.428 8.711 -9.700 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.301 5.760 -9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.444 5.654 -9.774 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.891 7.161 -9.000 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.645 6.221 -7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.024 6.950 -6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.437 7.967 -7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.172 7.303 -11.423 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.909 8.431 -10.876 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.455 6.900 -11.662 1.00 0.00 H new ATOM 968 N LYS A 82 1.578 9.395 -8.443 1.00 0.00 N ATOM 969 CA LYS A 82 2.651 9.853 -7.589 1.00 0.00 C ATOM 970 C LYS A 82 2.100 10.432 -6.297 1.00 0.00 C ATOM 971 O LYS A 82 2.783 10.456 -5.281 1.00 0.00 O ATOM 972 CB LYS A 82 3.469 10.909 -8.324 1.00 0.00 C ATOM 973 CG LYS A 82 2.796 12.272 -8.419 1.00 0.00 C ATOM 974 CD LYS A 82 2.246 12.533 -9.814 1.00 0.00 C ATOM 975 CE LYS A 82 2.748 13.854 -10.375 1.00 0.00 C ATOM 976 NZ LYS A 82 1.875 14.993 -9.979 1.00 0.00 N ATOM 0 H LYS A 82 1.055 10.146 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 82 3.288 9.004 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.428 11.025 -7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.681 10.551 -9.331 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.986 12.329 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.513 13.051 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.538 11.720 -10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.157 12.542 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.763 14.035 -10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.794 13.793 -11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.251 15.875 -10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.912 14.833 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.851 15.068 -8.942 1.00 0.00 H new ATOM 990 N GLN A 83 0.863 10.910 -6.358 1.00 0.00 N ATOM 991 CA GLN A 83 0.209 11.503 -5.203 1.00 0.00 C ATOM 992 C GLN A 83 -1.119 10.812 -4.940 1.00 0.00 C ATOM 993 O GLN A 83 -1.964 10.716 -5.830 1.00 0.00 O ATOM 994 CB GLN A 83 -0.008 13.000 -5.432 1.00 0.00 C ATOM 995 CG GLN A 83 0.856 13.871 -4.543 1.00 0.00 C ATOM 996 CD GLN A 83 1.794 14.769 -5.324 1.00 0.00 C ATOM 997 OE1 GLN A 83 1.379 15.467 -6.249 1.00 0.00 O ATOM 998 NE2 GLN A 83 3.070 14.753 -4.954 1.00 0.00 N ATOM 0 H GLN A 83 0.291 10.897 -7.202 1.00 0.00 H new ATOM 0 HA GLN A 83 0.849 11.372 -4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.202 13.236 -6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.057 13.240 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.214 14.486 -3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.441 13.235 -3.878 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.369 14.159 -4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.750 15.335 -5.443 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.297 10.319 -3.722 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.528 9.624 -3.370 1.00 0.00 C ATOM 1009 C VAL A 84 -3.197 10.231 -2.144 1.00 0.00 C ATOM 1010 O VAL A 84 -2.584 10.983 -1.386 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.294 8.119 -3.101 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.385 7.290 -3.745 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.935 7.661 -3.600 1.00 0.00 C ATOM 0 H VAL A 84 -0.613 10.386 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.181 9.738 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.321 7.975 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.205 6.234 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.352 7.577 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.385 7.461 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.810 6.598 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.866 7.831 -4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.152 8.225 -3.092 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.458 9.871 -1.956 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.242 10.335 -0.822 1.00 0.00 C ATOM 1025 C ALA A 85 -5.390 9.205 0.186 1.00 0.00 C ATOM 1026 O ALA A 85 -6.135 8.256 -0.047 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.610 10.817 -1.284 1.00 0.00 C ATOM 0 H ALA A 85 -4.966 9.249 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.728 11.172 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.184 11.161 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.487 11.638 -1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.140 9.997 -1.770 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.664 9.288 1.292 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.719 8.237 2.296 1.00 0.00 C ATOM 1035 C PHE A 86 -5.928 8.383 3.209 1.00 0.00 C ATOM 1036 O PHE A 86 -6.071 9.370 3.931 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.435 8.203 3.122 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.913 6.810 3.319 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.311 6.124 2.274 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.041 6.179 4.545 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.849 4.834 2.452 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.577 4.891 4.728 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.983 4.218 3.681 1.00 0.00 C ATOM 0 H PHE A 86 -4.038 10.062 1.515 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.819 7.292 1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.673 8.806 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.621 8.658 4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.202 6.603 1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.509 6.700 5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.384 4.308 1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.679 4.411 5.690 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.623 3.210 3.822 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.788 7.373 3.168 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.993 7.339 3.983 1.00 0.00 C ATOM 1055 C ASP A 87 -8.354 5.893 4.304 1.00 0.00 C ATOM 1056 O ASP A 87 -9.523 5.508 4.269 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.152 8.024 3.255 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.994 8.877 4.183 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.646 10.060 4.382 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -11.002 8.362 4.711 1.00 0.00 O ATOM 0 H ASP A 87 -6.669 6.556 2.569 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.806 7.877 4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.756 8.647 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.783 7.267 2.789 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.328 5.096 4.603 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.506 3.681 4.921 1.00 0.00 C ATOM 1067 C ARG A 88 -8.709 3.453 5.838 1.00 0.00 C ATOM 1068 O ARG A 88 -9.344 2.399 5.792 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.235 3.122 5.570 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.986 3.631 6.981 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.737 4.494 7.057 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.764 5.401 8.202 1.00 0.00 N ATOM 1073 CZ ARG A 88 -5.420 6.560 8.217 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -6.106 6.956 7.153 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -5.390 7.324 9.300 1.00 0.00 N ATOM 0 H ARG A 88 -6.358 5.411 4.631 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.697 3.153 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.300 2.034 5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.378 3.377 4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.848 4.208 7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.885 2.785 7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.858 3.853 7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.641 5.073 6.139 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.250 5.130 9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.133 6.372 6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.606 7.845 7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.865 7.024 10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.892 8.212 9.312 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.016 4.446 6.668 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.139 4.332 7.581 1.00 0.00 C ATOM 1091 C GLY A 89 -9.729 4.527 9.029 1.00 0.00 C ATOM 1092 O GLY A 89 -8.762 5.234 9.310 1.00 0.00 O ATOM 0 H GLY A 89 -8.507 5.328 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.895 5.072 7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.600 3.351 7.466 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.451 3.907 9.979 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.150 4.019 11.407 1.00 0.00 C ATOM 1098 C PRO A 90 -8.942 3.173 11.802 1.00 0.00 C ATOM 1099 O PRO A 90 -9.028 2.321 12.686 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.425 3.494 12.095 1.00 0.00 C ATOM 1101 CG PRO A 90 -12.413 3.240 10.999 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.614 3.049 9.744 1.00 0.00 C ATOM 0 HA PRO A 90 -9.896 5.040 11.691 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.219 2.581 12.653 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.812 4.223 12.807 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.014 2.357 11.215 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.103 4.078 10.896 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.328 2.007 9.599 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.171 3.353 8.858 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.817 3.411 11.135 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.593 2.667 11.408 1.00 0.00 C ATOM 1112 C TYR A 91 -5.649 3.473 12.290 1.00 0.00 C ATOM 1113 O TYR A 91 -5.824 4.678 12.471 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.888 2.309 10.097 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.522 1.159 9.339 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.879 0.873 9.460 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.759 0.363 8.494 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -8.453 -0.173 8.763 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -6.327 -0.684 7.793 1.00 0.00 C ATOM 1120 CZ TYR A 91 -7.673 -0.948 7.931 1.00 0.00 C ATOM 1121 OH TYR A 91 -8.241 -1.990 7.235 1.00 0.00 O ATOM 0 H TYR A 91 -7.728 4.114 10.401 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.866 1.753 11.935 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.875 3.189 9.454 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.850 2.057 10.314 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.493 1.479 10.110 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.704 0.566 8.383 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.507 -0.382 8.869 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.719 -1.293 7.140 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.608 -1.657 6.390 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.641 2.798 12.826 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.654 3.441 13.680 1.00 0.00 C ATOM 1133 C LYS A 92 -2.247 3.054 13.241 1.00 0.00 C ATOM 1134 O LYS A 92 -2.044 1.988 12.659 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.876 3.050 15.142 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.730 4.213 16.112 1.00 0.00 C ATOM 1137 CD LYS A 92 -2.838 3.851 17.288 1.00 0.00 C ATOM 1138 CE LYS A 92 -1.406 4.309 17.063 1.00 0.00 C ATOM 1139 NZ LYS A 92 -0.419 3.295 17.526 1.00 0.00 N ATOM 0 H LYS A 92 -4.486 1.800 12.683 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.767 4.521 13.588 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.873 2.622 15.248 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.164 2.270 15.413 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.313 5.074 15.589 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.713 4.508 16.478 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.229 4.309 18.197 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.856 2.772 17.441 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.251 4.508 16.003 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.238 5.247 17.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.353 3.770 18.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.889 2.618 18.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.031 2.788 16.705 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.278 3.920 13.520 1.00 0.00 N ATOM 1154 CA TYR A 93 0.110 3.657 13.149 1.00 0.00 C ATOM 1155 C TYR A 93 0.511 2.239 13.549 1.00 0.00 C ATOM 1156 O TYR A 93 0.639 1.931 14.734 1.00 0.00 O ATOM 1157 CB TYR A 93 1.037 4.677 13.816 1.00 0.00 C ATOM 1158 CG TYR A 93 2.287 4.991 13.020 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.250 5.089 11.633 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.504 5.196 13.659 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.391 5.380 10.908 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.648 5.487 12.941 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.586 5.578 11.566 1.00 0.00 C ATOM 1164 OH TYR A 93 5.723 5.868 10.848 1.00 0.00 O ATOM 0 H TYR A 93 -1.426 4.808 14.000 1.00 0.00 H new ATOM 0 HA TYR A 93 0.204 3.751 12.067 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.483 5.601 13.982 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.329 4.300 14.796 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.315 4.935 11.114 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.556 5.127 14.735 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.346 5.452 9.831 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.586 5.642 13.454 1.00 0.00 H new ATOM 0 HH TYR A 93 6.478 5.979 11.462 1.00 0.00 H new ATOM 1174 N HIS A 94 0.695 1.375 12.553 1.00 0.00 N ATOM 1175 CA HIS A 94 1.067 -0.013 12.808 1.00 0.00 C ATOM 1176 C HIS A 94 2.321 -0.402 12.033 1.00 0.00 C ATOM 1177 O HIS A 94 2.644 0.204 11.013 1.00 0.00 O ATOM 1178 CB HIS A 94 -0.087 -0.946 12.435 1.00 0.00 C ATOM 1179 CG HIS A 94 -0.338 -2.021 13.446 1.00 0.00 C ATOM 1180 ND1 HIS A 94 -1.482 -2.079 14.215 1.00 0.00 N ATOM 1181 CD2 HIS A 94 0.414 -3.086 13.813 1.00 0.00 C ATOM 1182 CE1 HIS A 94 -1.422 -3.132 15.012 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -0.283 -3.759 14.787 1.00 0.00 N ATOM 0 H HIS A 94 0.593 1.611 11.566 1.00 0.00 H new ATOM 0 HA HIS A 94 1.281 -0.112 13.872 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.995 -0.356 12.311 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.127 -1.408 11.471 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.381 -3.356 13.414 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.177 -3.428 15.726 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.030 -4.607 15.260 1.00 0.00 H new ATOM 1192 N GLY A 95 3.020 -1.424 12.528 1.00 0.00 N ATOM 1193 CA GLY A 95 4.240 -1.898 11.887 1.00 0.00 C ATOM 1194 C GLY A 95 4.175 -1.883 10.369 1.00 0.00 C ATOM 1195 O GLY A 95 5.196 -1.718 9.701 1.00 0.00 O ATOM 0 H GLY A 95 2.760 -1.937 13.370 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.076 -1.279 12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.446 -2.914 12.223 1.00 0.00 H new ATOM 1199 N ARG A 96 2.977 -2.062 9.825 1.00 0.00 N ATOM 1200 CA ARG A 96 2.789 -2.076 8.380 1.00 0.00 C ATOM 1201 C ARG A 96 2.826 -0.665 7.794 1.00 0.00 C ATOM 1202 O ARG A 96 3.773 -0.300 7.102 1.00 0.00 O ATOM 1203 CB ARG A 96 1.462 -2.753 8.037 1.00 0.00 C ATOM 1204 CG ARG A 96 1.291 -4.112 8.698 1.00 0.00 C ATOM 1205 CD ARG A 96 2.266 -5.135 8.138 1.00 0.00 C ATOM 1206 NE ARG A 96 2.899 -5.922 9.194 1.00 0.00 N ATOM 1207 CZ ARG A 96 2.236 -6.745 10.003 1.00 0.00 C ATOM 1208 NH1 ARG A 96 0.924 -6.901 9.875 1.00 0.00 N ATOM 1209 NH2 ARG A 96 2.888 -7.417 10.943 1.00 0.00 N ATOM 0 H ARG A 96 2.121 -2.199 10.363 1.00 0.00 H new ATOM 0 HA ARG A 96 3.611 -2.639 7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.641 -2.103 8.341 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.391 -2.871 6.956 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.442 -4.016 9.773 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.270 -4.463 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.740 -5.802 7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.034 -4.624 7.557 1.00 0.00 H new ATOM 0 HE ARG A 96 3.908 -5.836 9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.417 -6.388 9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.422 -7.533 10.499 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.896 -7.303 11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.381 -8.048 11.564 1.00 0.00 H new ATOM 1223 N VAL A 97 1.780 0.116 8.069 1.00 0.00 N ATOM 1224 CA VAL A 97 1.660 1.488 7.569 1.00 0.00 C ATOM 1225 C VAL A 97 3.007 2.183 7.395 1.00 0.00 C ATOM 1226 O VAL A 97 3.272 2.751 6.345 1.00 0.00 O ATOM 1227 CB VAL A 97 0.772 2.339 8.493 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.627 3.757 7.958 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.584 1.680 8.644 1.00 0.00 C ATOM 0 H VAL A 97 0.993 -0.184 8.644 1.00 0.00 H new ATOM 0 HA VAL A 97 1.199 1.402 6.585 1.00 0.00 H new ATOM 0 HB VAL A 97 1.246 2.404 9.472 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.006 4.337 8.630 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.610 4.223 7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.173 3.728 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.211 2.285 9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.058 1.594 7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.460 0.687 9.076 1.00 0.00 H new ATOM 1239 N LYS A 98 3.854 2.152 8.415 1.00 0.00 N ATOM 1240 CA LYS A 98 5.155 2.804 8.309 1.00 0.00 C ATOM 1241 C LYS A 98 5.953 2.239 7.134 1.00 0.00 C ATOM 1242 O LYS A 98 6.093 2.883 6.096 1.00 0.00 O ATOM 1243 CB LYS A 98 5.959 2.694 9.610 1.00 0.00 C ATOM 1244 CG LYS A 98 5.928 1.321 10.253 1.00 0.00 C ATOM 1245 CD LYS A 98 5.750 1.422 11.757 1.00 0.00 C ATOM 1246 CE LYS A 98 4.434 2.087 12.114 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.874 1.550 13.384 1.00 0.00 N ATOM 0 H LYS A 98 3.671 1.693 9.308 1.00 0.00 H new ATOM 0 HA LYS A 98 4.971 3.863 8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.995 2.963 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.575 3.424 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.114 0.735 9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.854 0.791 10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.787 0.426 12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.575 1.991 12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.583 3.163 12.208 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.718 1.934 11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.842 1.680 13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.095 0.537 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.293 2.057 14.190 1.00 0.00 H new ATOM 1261 N ALA A 99 6.482 1.028 7.321 1.00 0.00 N ATOM 1262 CA ALA A 99 7.284 0.354 6.306 1.00 0.00 C ATOM 1263 C ALA A 99 6.544 0.224 4.982 1.00 0.00 C ATOM 1264 O ALA A 99 7.141 0.357 3.916 1.00 0.00 O ATOM 1265 CB ALA A 99 7.709 -1.020 6.804 1.00 0.00 C ATOM 0 H ALA A 99 6.365 0.490 8.180 1.00 0.00 H new ATOM 0 HA ALA A 99 8.167 0.968 6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.307 -1.515 6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.301 -0.911 7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.824 -1.620 7.017 1.00 0.00 H new ATOM 1271 N LEU A 100 5.244 -0.030 5.048 1.00 0.00 N ATOM 1272 CA LEU A 100 4.435 -0.176 3.856 1.00 0.00 C ATOM 1273 C LEU A 100 4.321 1.144 3.124 1.00 0.00 C ATOM 1274 O LEU A 100 4.509 1.223 1.910 1.00 0.00 O ATOM 1275 CB LEU A 100 3.039 -0.665 4.238 1.00 0.00 C ATOM 1276 CG LEU A 100 2.003 -0.561 3.123 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.030 -1.725 3.192 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.255 0.769 3.188 1.00 0.00 C ATOM 0 H LEU A 100 4.729 -0.139 5.922 1.00 0.00 H new ATOM 0 HA LEU A 100 4.914 -0.903 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.107 -1.705 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.689 -0.091 5.096 1.00 0.00 H new ATOM 0 HG LEU A 100 2.529 -0.603 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.298 -1.635 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.576 -2.662 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.517 -1.714 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.523 0.815 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.744 0.852 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.964 1.590 3.082 1.00 0.00 H new ATOM 1290 N ALA A 101 3.983 2.170 3.878 1.00 0.00 N ATOM 1291 CA ALA A 101 3.804 3.497 3.324 1.00 0.00 C ATOM 1292 C ALA A 101 5.091 4.015 2.695 1.00 0.00 C ATOM 1293 O ALA A 101 5.043 4.712 1.682 1.00 0.00 O ATOM 1294 CB ALA A 101 3.268 4.435 4.384 1.00 0.00 C ATOM 0 H ALA A 101 3.826 2.109 4.884 1.00 0.00 H new ATOM 0 HA ALA A 101 3.068 3.444 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.137 5.429 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.308 4.066 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.972 4.486 5.214 1.00 0.00 H new ATOM 1300 N GLU A 102 6.250 3.644 3.252 1.00 0.00 N ATOM 1301 CA GLU A 102 7.505 4.072 2.646 1.00 0.00 C ATOM 1302 C GLU A 102 7.616 3.392 1.297 1.00 0.00 C ATOM 1303 O GLU A 102 7.879 4.033 0.295 1.00 0.00 O ATOM 1304 CB GLU A 102 8.753 3.770 3.495 1.00 0.00 C ATOM 1305 CG GLU A 102 8.480 3.106 4.838 1.00 0.00 C ATOM 1306 CD GLU A 102 9.755 2.697 5.550 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.794 2.550 4.871 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.715 2.523 6.786 1.00 0.00 O ATOM 0 H GLU A 102 6.341 3.070 4.090 1.00 0.00 H new ATOM 0 HA GLU A 102 7.478 5.158 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.418 3.127 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.287 4.704 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.917 3.792 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.854 2.227 4.685 1.00 0.00 H new ATOM 1315 N GLY A 103 7.345 2.091 1.267 1.00 0.00 N ATOM 1316 CA GLY A 103 7.362 1.366 0.010 1.00 0.00 C ATOM 1317 C GLY A 103 6.578 2.112 -1.042 1.00 0.00 C ATOM 1318 O GLY A 103 7.079 2.460 -2.111 1.00 0.00 O ATOM 0 H GLY A 103 7.115 1.528 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.391 1.229 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.938 0.372 0.151 1.00 0.00 H new ATOM 1322 N ALA A 104 5.310 2.333 -0.698 1.00 0.00 N ATOM 1323 CA ALA A 104 4.364 3.019 -1.558 1.00 0.00 C ATOM 1324 C ALA A 104 4.850 4.417 -1.916 1.00 0.00 C ATOM 1325 O ALA A 104 4.717 4.857 -3.056 1.00 0.00 O ATOM 1326 CB ALA A 104 3.003 3.075 -0.889 1.00 0.00 C ATOM 0 H ALA A 104 4.913 2.036 0.194 1.00 0.00 H new ATOM 0 HA ALA A 104 4.277 2.457 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.298 3.591 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.648 2.062 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.084 3.612 0.056 1.00 0.00 H new ATOM 1332 N ARG A 105 5.439 5.119 -0.953 1.00 0.00 N ATOM 1333 CA ARG A 105 5.957 6.457 -1.217 1.00 0.00 C ATOM 1334 C ARG A 105 7.340 6.356 -1.848 1.00 0.00 C ATOM 1335 O ARG A 105 7.598 6.934 -2.904 1.00 0.00 O ATOM 1336 CB ARG A 105 5.990 7.297 0.069 1.00 0.00 C ATOM 1337 CG ARG A 105 6.862 8.546 -0.009 1.00 0.00 C ATOM 1338 CD ARG A 105 6.030 9.804 -0.215 1.00 0.00 C ATOM 1339 NE ARG A 105 5.598 10.388 1.053 1.00 0.00 N ATOM 1340 CZ ARG A 105 6.371 11.157 1.816 1.00 0.00 C ATOM 1341 NH1 ARG A 105 7.616 11.433 1.448 1.00 0.00 N ATOM 1342 NH2 ARG A 105 5.898 11.651 2.952 1.00 0.00 N ATOM 0 H ARG A 105 5.569 4.790 0.004 1.00 0.00 H new ATOM 0 HA ARG A 105 5.292 6.963 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.972 7.596 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.347 6.671 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.444 8.641 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.573 8.442 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.613 10.537 -0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.156 9.565 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 105 4.649 10.195 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.986 11.055 0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.203 12.023 2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.942 11.441 3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.490 12.240 3.537 1.00 0.00 H new ATOM 1356 N GLU A 106 8.214 5.592 -1.206 1.00 0.00 N ATOM 1357 CA GLU A 106 9.565 5.375 -1.705 1.00 0.00 C ATOM 1358 C GLU A 106 9.495 4.978 -3.177 1.00 0.00 C ATOM 1359 O GLU A 106 10.293 5.429 -3.999 1.00 0.00 O ATOM 1360 CB GLU A 106 10.264 4.277 -0.880 1.00 0.00 C ATOM 1361 CG GLU A 106 10.089 2.871 -1.432 1.00 0.00 C ATOM 1362 CD GLU A 106 10.975 1.856 -0.738 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.768 2.259 0.139 1.00 0.00 O ATOM 1364 OE2 GLU A 106 10.878 0.657 -1.075 1.00 0.00 O ATOM 0 H GLU A 106 8.009 5.109 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 106 10.145 6.293 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.329 4.503 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.879 4.305 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.047 2.570 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.313 2.873 -2.499 1.00 0.00 H new ATOM 1371 N GLY A 107 8.510 4.136 -3.495 1.00 0.00 N ATOM 1372 CA GLY A 107 8.323 3.696 -4.863 1.00 0.00 C ATOM 1373 C GLY A 107 7.924 4.852 -5.767 1.00 0.00 C ATOM 1374 O GLY A 107 8.525 5.046 -6.822 1.00 0.00 O ATOM 0 H GLY A 107 7.841 3.753 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.245 3.245 -5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.555 2.924 -4.897 1.00 0.00 H new ATOM 1378 N GLY A 108 6.926 5.643 -5.347 1.00 0.00 N ATOM 1379 CA GLY A 108 6.509 6.784 -6.153 1.00 0.00 C ATOM 1380 C GLY A 108 5.289 7.531 -5.619 1.00 0.00 C ATOM 1381 O GLY A 108 5.113 8.713 -5.913 1.00 0.00 O ATOM 0 H GLY A 108 6.409 5.514 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.342 7.483 -6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.292 6.438 -7.164 1.00 0.00 H new ATOM 1385 N LEU A 109 4.428 6.846 -4.872 1.00 0.00 N ATOM 1386 CA LEU A 109 3.209 7.456 -4.349 1.00 0.00 C ATOM 1387 C LEU A 109 3.467 8.464 -3.237 1.00 0.00 C ATOM 1388 O LEU A 109 4.382 8.318 -2.434 1.00 0.00 O ATOM 1389 CB LEU A 109 2.271 6.366 -3.848 1.00 0.00 C ATOM 1390 CG LEU A 109 1.616 5.564 -4.959 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.671 4.926 -5.838 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.671 4.519 -4.387 1.00 0.00 C ATOM 0 H LEU A 109 4.552 5.867 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 109 2.754 8.009 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.829 5.687 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.494 6.822 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 109 1.025 6.242 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.187 4.354 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.295 5.703 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.291 4.261 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.214 3.957 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.228 3.838 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.107 5.012 -3.805 1.00 0.00 H new ATOM 1404 N GLU A 110 2.634 9.492 -3.211 1.00 0.00 N ATOM 1405 CA GLU A 110 2.728 10.548 -2.213 1.00 0.00 C ATOM 1406 C GLU A 110 1.378 10.765 -1.538 1.00 0.00 C ATOM 1407 O GLU A 110 0.546 11.533 -2.022 1.00 0.00 O ATOM 1408 CB GLU A 110 3.220 11.840 -2.861 1.00 0.00 C ATOM 1409 CG GLU A 110 4.714 11.838 -3.143 1.00 0.00 C ATOM 1410 CD GLU A 110 5.035 11.961 -4.620 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.188 12.485 -5.373 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.137 11.533 -5.025 1.00 0.00 O ATOM 0 H GLU A 110 1.874 9.619 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 110 3.446 10.247 -1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.681 11.999 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.981 12.680 -2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.182 12.662 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.150 10.917 -2.757 1.00 0.00 H new ATOM 1419 N PHE A 111 1.160 10.071 -0.428 1.00 0.00 N ATOM 1420 CA PHE A 111 -0.097 10.169 0.308 1.00 0.00 C ATOM 1421 C PHE A 111 0.140 10.676 1.728 1.00 0.00 C ATOM 1422 O PHE A 111 1.280 11.090 2.025 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.780 8.798 0.346 1.00 0.00 C ATOM 1424 CG PHE A 111 0.196 7.667 0.468 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.921 7.250 -0.633 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.409 7.044 1.684 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.842 6.231 -0.524 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.326 6.019 1.800 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.046 5.614 0.694 1.00 0.00 C ATOM 1430 OXT PHE A 111 -0.818 10.655 2.530 1.00 0.00 O ATOM 0 H PHE A 111 1.839 9.432 -0.015 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.743 10.883 -0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.474 8.766 1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.371 8.666 -0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.764 7.728 -1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.148 7.363 2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.404 5.915 -1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.480 5.535 2.753 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.768 4.816 0.781 1.00 0.00 H new