USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 ASN : amide:sc= -3.13! C(o=-4.4!,f=-6.3!) USER MOD Set 1.2: A 69 MET CE :methyl -162:sc= -1.25 (180deg=-0.867) USER MOD Set 2.1: A 22 ASN : amide:sc= 1.34 K(o=2.6,f=-3!) USER MOD Set 2.2: A 24 SER OG : rot 90:sc= 1.25 USER MOD Set 3.1: A 8 SER OG : rot -121:sc= 1.21 USER MOD Set 3.2: A 16 ASN :FLIP amide:sc= -0.497 F(o=-2.7,f=0.71) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.144 (180deg=-0.961) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 13 ASN : amide:sc=-0.00684 X(o=-0.0068,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc=-0.00177 (180deg=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.092 X(o=-0.092,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 19:sc= 0.814 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0695 F(o=-0.73,f=-0.07) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0557 K(o=-0.056,f=-0.91) USER MOD Single : A 70 ASN : amide:sc= -0.0368 X(o=-0.037,f=-0.037) USER MOD Single : A 73 SER OG : rot -39:sc= -0.0765 USER MOD Single : A 77 ASN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.176 -0.234 -0.254 1.00 54.32 N ATOM 2 CA MET A 1 2.060 -0.347 -1.408 1.00 50.13 C ATOM 3 C MET A 1 2.872 -1.637 -1.346 1.00 42.44 C ATOM 4 O MET A 1 2.668 -2.550 -2.146 1.00 60.11 O ATOM 5 CB MET A 1 3.000 0.858 -1.478 1.00 14.41 C ATOM 6 CG MET A 1 2.274 2.188 -1.608 1.00 61.23 C ATOM 7 SD MET A 1 3.177 3.550 -0.846 1.00 20.42 S ATOM 8 CE MET A 1 2.463 3.552 0.797 1.00 62.51 C ATOM 0 H1 MET A 1 0.333 0.317 -0.515 1.00 54.32 H new ATOM 0 H2 MET A 1 0.887 -1.184 0.056 1.00 54.32 H new ATOM 0 H3 MET A 1 1.677 0.246 0.521 1.00 54.32 H new ATOM 0 HA MET A 1 1.443 -0.369 -2.306 1.00 50.13 H new ATOM 0 HB2 MET A 1 3.620 0.878 -0.582 1.00 14.41 H new ATOM 0 HB3 MET A 1 3.672 0.736 -2.327 1.00 14.41 H new ATOM 0 HG2 MET A 1 2.114 2.409 -2.663 1.00 61.23 H new ATOM 0 HG3 MET A 1 1.290 2.107 -1.147 1.00 61.23 H new ATOM 0 HE1 MET A 1 2.921 4.343 1.392 1.00 62.51 H new ATOM 0 HE2 MET A 1 1.389 3.726 0.727 1.00 62.51 H new ATOM 0 HE3 MET A 1 2.644 2.589 1.274 1.00 62.51 H new ATOM 18 N LYS A 2 3.794 -1.705 -0.392 1.00 42.41 N ATOM 19 CA LYS A 2 4.637 -2.882 -0.225 1.00 22.54 C ATOM 20 C LYS A 2 3.837 -4.047 0.350 1.00 72.13 C ATOM 21 O LYS A 2 3.850 -4.287 1.557 1.00 12.43 O ATOM 22 CB LYS A 2 5.820 -2.562 0.692 1.00 64.04 C ATOM 23 CG LYS A 2 6.857 -1.655 0.051 1.00 23.44 C ATOM 24 CD LYS A 2 7.684 -0.927 1.098 1.00 31.41 C ATOM 25 CE LYS A 2 8.197 0.405 0.575 1.00 45.22 C ATOM 26 NZ LYS A 2 8.798 1.232 1.658 1.00 40.21 N ATOM 0 H LYS A 2 3.976 -0.958 0.278 1.00 42.41 H new ATOM 0 HA LYS A 2 5.013 -3.170 -1.207 1.00 22.54 H new ATOM 0 HB2 LYS A 2 5.447 -2.089 1.601 1.00 64.04 H new ATOM 0 HB3 LYS A 2 6.300 -3.494 0.991 1.00 64.04 H new ATOM 0 HG2 LYS A 2 7.514 -2.246 -0.587 1.00 23.44 H new ATOM 0 HG3 LYS A 2 6.359 -0.928 -0.591 1.00 23.44 H new ATOM 0 HD2 LYS A 2 7.079 -0.761 1.990 1.00 31.41 H new ATOM 0 HD3 LYS A 2 8.527 -1.551 1.396 1.00 31.41 H new ATOM 0 HE2 LYS A 2 8.941 0.228 -0.202 1.00 45.22 H new ATOM 0 HE3 LYS A 2 7.377 0.954 0.112 1.00 45.22 H new ATOM 0 HZ1 LYS A 2 9.136 2.132 1.261 1.00 40.21 H new ATOM 0 HZ2 LYS A 2 8.082 1.423 2.387 1.00 40.21 H new ATOM 0 HZ3 LYS A 2 9.597 0.720 2.083 1.00 40.21 H new ATOM 40 N PHE A 3 3.142 -4.769 -0.523 1.00 61.13 N ATOM 41 CA PHE A 3 2.336 -5.909 -0.103 1.00 23.43 C ATOM 42 C PHE A 3 2.315 -6.988 -1.182 1.00 55.31 C ATOM 43 O PHE A 3 1.464 -6.972 -2.072 1.00 71.43 O ATOM 44 CB PHE A 3 0.908 -5.462 0.216 1.00 43.10 C ATOM 45 CG PHE A 3 0.774 -4.796 1.555 1.00 14.34 C ATOM 46 CD1 PHE A 3 1.266 -5.404 2.699 1.00 42.31 C ATOM 47 CD2 PHE A 3 0.155 -3.561 1.671 1.00 61.31 C ATOM 48 CE1 PHE A 3 1.143 -4.793 3.933 1.00 72.14 C ATOM 49 CE2 PHE A 3 0.029 -2.946 2.902 1.00 2.40 C ATOM 50 CZ PHE A 3 0.525 -3.562 4.034 1.00 33.12 C ATOM 0 H PHE A 3 3.121 -4.585 -1.526 1.00 61.13 H new ATOM 0 HA PHE A 3 2.787 -6.329 0.796 1.00 23.43 H new ATOM 0 HB2 PHE A 3 0.570 -4.774 -0.559 1.00 43.10 H new ATOM 0 HB3 PHE A 3 0.248 -6.329 0.183 1.00 43.10 H new ATOM 0 HD1 PHE A 3 1.751 -6.366 2.626 1.00 42.31 H new ATOM 0 HD2 PHE A 3 -0.233 -3.074 0.789 1.00 61.31 H new ATOM 0 HE1 PHE A 3 1.530 -5.278 4.817 1.00 72.14 H new ATOM 0 HE2 PHE A 3 -0.457 -1.985 2.979 1.00 2.40 H new ATOM 0 HZ PHE A 3 0.430 -3.082 4.997 1.00 33.12 H new ATOM 60 N ILE A 4 3.256 -7.921 -1.096 1.00 71.51 N ATOM 61 CA ILE A 4 3.345 -9.007 -2.064 1.00 72.34 C ATOM 62 C ILE A 4 3.335 -10.365 -1.370 1.00 70.03 C ATOM 63 O ILE A 4 3.760 -10.491 -0.222 1.00 3.13 O ATOM 64 CB ILE A 4 4.617 -8.892 -2.924 1.00 63.13 C ATOM 65 CG1 ILE A 4 4.767 -7.468 -3.464 1.00 62.30 C ATOM 66 CG2 ILE A 4 4.577 -9.896 -4.067 1.00 22.03 C ATOM 67 CD1 ILE A 4 3.650 -7.055 -4.396 1.00 12.40 C ATOM 0 H ILE A 4 3.968 -7.947 -0.366 1.00 71.51 H new ATOM 0 HA ILE A 4 2.471 -8.926 -2.710 1.00 72.34 H new ATOM 0 HB ILE A 4 5.481 -9.117 -2.299 1.00 63.13 H new ATOM 0 HG12 ILE A 4 4.806 -6.772 -2.626 1.00 62.30 H new ATOM 0 HG13 ILE A 4 5.718 -7.386 -3.991 1.00 62.30 H new ATOM 0 HG21 ILE A 4 5.483 -9.802 -4.666 1.00 22.03 H new ATOM 0 HG22 ILE A 4 4.513 -10.906 -3.662 1.00 22.03 H new ATOM 0 HG23 ILE A 4 3.707 -9.700 -4.693 1.00 22.03 H new ATOM 0 HD11 ILE A 4 3.822 -6.035 -4.740 1.00 12.40 H new ATOM 0 HD12 ILE A 4 3.624 -7.728 -5.253 1.00 12.40 H new ATOM 0 HD13 ILE A 4 2.698 -7.104 -3.867 1.00 12.40 H new ATOM 79 N LYS A 5 2.848 -11.380 -2.076 1.00 22.44 N ATOM 80 CA LYS A 5 2.785 -12.731 -1.530 1.00 63.10 C ATOM 81 C LYS A 5 4.164 -13.383 -1.530 1.00 5.44 C ATOM 82 O LYS A 5 5.128 -12.818 -2.047 1.00 44.03 O ATOM 83 CB LYS A 5 1.806 -13.585 -2.339 1.00 64.01 C ATOM 84 CG LYS A 5 2.357 -14.035 -3.681 1.00 63.01 C ATOM 85 CD LYS A 5 1.261 -14.584 -4.578 1.00 52.04 C ATOM 86 CE LYS A 5 1.505 -14.229 -6.037 1.00 75.32 C ATOM 87 NZ LYS A 5 0.364 -14.634 -6.905 1.00 13.05 N ATOM 0 H LYS A 5 2.491 -11.293 -3.028 1.00 22.44 H new ATOM 0 HA LYS A 5 2.434 -12.664 -0.500 1.00 63.10 H new ATOM 0 HB2 LYS A 5 1.534 -14.464 -1.754 1.00 64.01 H new ATOM 0 HB3 LYS A 5 0.891 -13.016 -2.504 1.00 64.01 H new ATOM 0 HG2 LYS A 5 2.846 -13.195 -4.175 1.00 63.01 H new ATOM 0 HG3 LYS A 5 3.118 -14.800 -3.525 1.00 63.01 H new ATOM 0 HD2 LYS A 5 1.209 -15.667 -4.470 1.00 52.04 H new ATOM 0 HD3 LYS A 5 0.297 -14.186 -4.262 1.00 52.04 H new ATOM 0 HE2 LYS A 5 1.666 -13.155 -6.127 1.00 75.32 H new ATOM 0 HE3 LYS A 5 2.416 -14.718 -6.382 1.00 75.32 H new ATOM 0 HZ1 LYS A 5 0.569 -14.375 -7.891 1.00 13.05 H new ATOM 0 HZ2 LYS A 5 0.226 -15.663 -6.839 1.00 13.05 H new ATOM 0 HZ3 LYS A 5 -0.500 -14.148 -6.592 1.00 13.05 H new ATOM 101 N TYR A 6 4.251 -14.573 -0.947 1.00 70.33 N ATOM 102 CA TYR A 6 5.513 -15.301 -0.879 1.00 54.02 C ATOM 103 C TYR A 6 5.863 -15.912 -2.232 1.00 73.35 C ATOM 104 O TYR A 6 5.020 -15.994 -3.127 1.00 51.01 O ATOM 105 CB TYR A 6 5.436 -16.398 0.184 1.00 41.00 C ATOM 106 CG TYR A 6 5.274 -15.868 1.591 1.00 44.43 C ATOM 107 CD1 TYR A 6 6.279 -15.118 2.191 1.00 32.32 C ATOM 108 CD2 TYR A 6 4.118 -16.116 2.320 1.00 62.54 C ATOM 109 CE1 TYR A 6 6.136 -14.632 3.476 1.00 30.34 C ATOM 110 CE2 TYR A 6 3.966 -15.633 3.605 1.00 60.13 C ATOM 111 CZ TYR A 6 4.978 -14.892 4.179 1.00 53.12 C ATOM 112 OH TYR A 6 4.831 -14.410 5.459 1.00 14.13 O ATOM 0 H TYR A 6 3.463 -15.054 -0.514 1.00 70.33 H new ATOM 0 HA TYR A 6 6.297 -14.594 -0.606 1.00 54.02 H new ATOM 0 HB2 TYR A 6 4.598 -17.057 -0.046 1.00 41.00 H new ATOM 0 HB3 TYR A 6 6.341 -17.004 0.135 1.00 41.00 H new ATOM 0 HD1 TYR A 6 7.187 -14.912 1.643 1.00 32.32 H new ATOM 0 HD2 TYR A 6 3.324 -16.697 1.874 1.00 62.54 H new ATOM 0 HE1 TYR A 6 6.927 -14.051 3.928 1.00 30.34 H new ATOM 0 HE2 TYR A 6 3.060 -15.834 4.157 1.00 60.13 H new ATOM 0 HH TYR A 6 3.958 -14.681 5.812 1.00 14.13 H new ATOM 122 N LEU A 7 7.112 -16.341 -2.375 1.00 31.20 N ATOM 123 CA LEU A 7 7.576 -16.947 -3.619 1.00 12.45 C ATOM 124 C LEU A 7 8.028 -18.385 -3.388 1.00 42.03 C ATOM 125 O LEU A 7 9.222 -18.683 -3.417 1.00 2.25 O ATOM 126 CB LEU A 7 8.724 -16.127 -4.210 1.00 61.33 C ATOM 127 CG LEU A 7 8.584 -14.608 -4.114 1.00 55.33 C ATOM 128 CD1 LEU A 7 9.873 -13.924 -4.542 1.00 21.33 C ATOM 129 CD2 LEU A 7 7.416 -14.126 -4.962 1.00 53.55 C ATOM 0 H LEU A 7 7.822 -16.281 -1.645 1.00 31.20 H new ATOM 0 HA LEU A 7 6.744 -16.957 -4.323 1.00 12.45 H new ATOM 0 HB2 LEU A 7 9.647 -16.419 -3.709 1.00 61.33 H new ATOM 0 HB3 LEU A 7 8.832 -16.396 -5.261 1.00 61.33 H new ATOM 0 HG LEU A 7 8.386 -14.346 -3.075 1.00 55.33 H new ATOM 0 HD11 LEU A 7 9.754 -12.843 -4.467 1.00 21.33 H new ATOM 0 HD12 LEU A 7 10.688 -14.245 -3.893 1.00 21.33 H new ATOM 0 HD13 LEU A 7 10.103 -14.193 -5.573 1.00 21.33 H new ATOM 0 HD21 LEU A 7 7.331 -13.042 -4.882 1.00 53.55 H new ATOM 0 HD22 LEU A 7 7.585 -14.401 -6.003 1.00 53.55 H new ATOM 0 HD23 LEU A 7 6.495 -14.589 -4.609 1.00 53.55 H new ATOM 141 N SER A 8 7.066 -19.274 -3.162 1.00 52.45 N ATOM 142 CA SER A 8 7.365 -20.681 -2.926 1.00 21.01 C ATOM 143 C SER A 8 6.200 -21.565 -3.362 1.00 45.20 C ATOM 144 O SER A 8 5.036 -21.178 -3.252 1.00 64.24 O ATOM 145 CB SER A 8 7.673 -20.917 -1.446 1.00 60.01 C ATOM 146 OG SER A 8 6.485 -21.148 -0.709 1.00 23.24 O ATOM 0 H SER A 8 6.072 -19.044 -3.137 1.00 52.45 H new ATOM 0 HA SER A 8 8.240 -20.945 -3.519 1.00 21.01 H new ATOM 0 HB2 SER A 8 8.341 -21.772 -1.342 1.00 60.01 H new ATOM 0 HB3 SER A 8 8.196 -20.052 -1.038 1.00 60.01 H new ATOM 0 HG SER A 8 6.398 -20.470 -0.007 1.00 23.24 H new ATOM 152 N THR A 9 6.523 -22.756 -3.858 1.00 14.41 N ATOM 153 CA THR A 9 5.505 -23.695 -4.312 1.00 62.02 C ATOM 154 C THR A 9 5.331 -24.839 -3.320 1.00 12.23 C ATOM 155 O THR A 9 4.344 -24.892 -2.586 1.00 40.43 O ATOM 156 CB THR A 9 5.856 -24.278 -5.694 1.00 21.41 C ATOM 157 OG1 THR A 9 7.191 -23.910 -6.057 1.00 4.14 O ATOM 158 CG2 THR A 9 4.883 -23.784 -6.753 1.00 53.32 C ATOM 0 H THR A 9 7.481 -23.092 -3.955 1.00 14.41 H new ATOM 0 HA THR A 9 4.571 -23.138 -4.387 1.00 62.02 H new ATOM 0 HB THR A 9 5.783 -25.364 -5.634 1.00 21.41 H new ATOM 0 HG1 THR A 9 7.406 -24.286 -6.936 1.00 4.14 H new ATOM 0 HG21 THR A 9 5.151 -24.209 -7.720 1.00 53.32 H new ATOM 0 HG22 THR A 9 3.871 -24.092 -6.489 1.00 53.32 H new ATOM 0 HG23 THR A 9 4.928 -22.696 -6.810 1.00 53.32 H new ATOM 166 N ALA A 10 6.296 -25.753 -3.302 1.00 15.34 N ATOM 167 CA ALA A 10 6.249 -26.894 -2.397 1.00 23.44 C ATOM 168 C ALA A 10 6.166 -26.440 -0.943 1.00 62.13 C ATOM 169 O ALA A 10 6.095 -25.244 -0.659 1.00 50.14 O ATOM 170 CB ALA A 10 7.467 -27.783 -2.605 1.00 52.21 C ATOM 0 H ALA A 10 7.119 -25.725 -3.904 1.00 15.34 H new ATOM 0 HA ALA A 10 5.350 -27.468 -2.623 1.00 23.44 H new ATOM 0 HB1 ALA A 10 7.419 -28.631 -1.922 1.00 52.21 H new ATOM 0 HB2 ALA A 10 7.482 -28.145 -3.633 1.00 52.21 H new ATOM 0 HB3 ALA A 10 8.373 -27.210 -2.409 1.00 52.21 H new ATOM 176 N HIS A 11 6.175 -27.402 -0.026 1.00 1.01 N ATOM 177 CA HIS A 11 6.101 -27.100 1.399 1.00 15.02 C ATOM 178 C HIS A 11 7.388 -27.509 2.109 1.00 14.22 C ATOM 179 O HIS A 11 7.808 -28.664 2.038 1.00 62.31 O ATOM 180 CB HIS A 11 4.906 -27.815 2.032 1.00 42.13 C ATOM 181 CG HIS A 11 3.614 -27.074 1.878 1.00 50.55 C ATOM 182 ND1 HIS A 11 2.848 -26.665 2.949 1.00 5.40 N ATOM 183 CD2 HIS A 11 2.954 -26.666 0.768 1.00 30.12 C ATOM 184 CE1 HIS A 11 1.773 -26.039 2.505 1.00 33.25 C ATOM 185 NE2 HIS A 11 1.813 -26.026 1.185 1.00 31.03 N ATOM 0 H HIS A 11 6.233 -28.397 -0.244 1.00 1.01 H new ATOM 0 HA HIS A 11 5.972 -26.023 1.511 1.00 15.02 H new ATOM 0 HB2 HIS A 11 4.804 -28.803 1.583 1.00 42.13 H new ATOM 0 HB3 HIS A 11 5.104 -27.966 3.093 1.00 42.13 H new ATOM 0 HD2 HIS A 11 3.267 -26.816 -0.255 1.00 30.12 H new ATOM 0 HE1 HIS A 11 0.994 -25.610 3.118 1.00 33.25 H new ATOM 0 HE2 HIS A 11 1.111 -25.608 0.575 1.00 31.03 H new ATOM 193 N LEU A 12 8.009 -26.554 2.793 1.00 60.31 N ATOM 194 CA LEU A 12 9.249 -26.815 3.516 1.00 42.43 C ATOM 195 C LEU A 12 9.130 -26.384 4.974 1.00 21.01 C ATOM 196 O LEU A 12 8.293 -25.551 5.319 1.00 32.52 O ATOM 197 CB LEU A 12 10.415 -26.082 2.849 1.00 14.51 C ATOM 198 CG LEU A 12 11.757 -26.814 2.850 1.00 72.12 C ATOM 199 CD1 LEU A 12 11.623 -28.174 2.182 1.00 43.45 C ATOM 200 CD2 LEU A 12 12.821 -25.978 2.154 1.00 1.02 C ATOM 0 H LEU A 12 7.675 -25.593 2.862 1.00 60.31 H new ATOM 0 HA LEU A 12 9.438 -27.888 3.488 1.00 42.43 H new ATOM 0 HB2 LEU A 12 10.141 -25.869 1.816 1.00 14.51 H new ATOM 0 HB3 LEU A 12 10.547 -25.122 3.348 1.00 14.51 H new ATOM 0 HG LEU A 12 12.064 -26.969 3.884 1.00 72.12 H new ATOM 0 HD11 LEU A 12 12.588 -28.681 2.192 1.00 43.45 H new ATOM 0 HD12 LEU A 12 10.892 -28.775 2.723 1.00 43.45 H new ATOM 0 HD13 LEU A 12 11.293 -28.042 1.152 1.00 43.45 H new ATOM 0 HD21 LEU A 12 13.770 -26.515 2.164 1.00 1.02 H new ATOM 0 HD22 LEU A 12 12.521 -25.792 1.123 1.00 1.02 H new ATOM 0 HD23 LEU A 12 12.936 -25.028 2.676 1.00 1.02 H new ATOM 212 N ASN A 13 9.975 -26.956 5.826 1.00 44.15 N ATOM 213 CA ASN A 13 9.966 -26.630 7.247 1.00 50.10 C ATOM 214 C ASN A 13 9.703 -25.143 7.462 1.00 14.42 C ATOM 215 O ASN A 13 8.937 -24.759 8.347 1.00 54.25 O ATOM 216 CB ASN A 13 11.298 -27.022 7.890 1.00 12.32 C ATOM 217 CG ASN A 13 11.509 -26.354 9.235 1.00 10.32 C ATOM 218 OD1 ASN A 13 12.507 -25.666 9.449 1.00 2.31 O ATOM 219 ND2 ASN A 13 10.567 -26.554 10.150 1.00 62.44 N ATOM 0 H ASN A 13 10.675 -27.648 5.557 1.00 44.15 H new ATOM 0 HA ASN A 13 9.162 -27.195 7.719 1.00 50.10 H new ATOM 0 HB2 ASN A 13 11.333 -28.104 8.015 1.00 12.32 H new ATOM 0 HB3 ASN A 13 12.115 -26.752 7.221 1.00 12.32 H new ATOM 0 HD21 ASN A 13 10.655 -26.130 11.073 1.00 62.44 H new ATOM 0 HD22 ASN A 13 9.756 -27.132 9.929 1.00 62.44 H new ATOM 226 N TYR A 14 10.342 -24.310 6.648 1.00 72.52 N ATOM 227 CA TYR A 14 10.178 -22.865 6.750 1.00 63.23 C ATOM 228 C TYR A 14 10.936 -22.151 5.634 1.00 35.21 C ATOM 229 O TYR A 14 11.907 -21.439 5.886 1.00 61.04 O ATOM 230 CB TYR A 14 10.668 -22.370 8.112 1.00 63.34 C ATOM 231 CG TYR A 14 9.910 -21.168 8.628 1.00 70.33 C ATOM 232 CD1 TYR A 14 8.521 -21.163 8.668 1.00 42.22 C ATOM 233 CD2 TYR A 14 10.583 -20.038 9.076 1.00 33.23 C ATOM 234 CE1 TYR A 14 7.825 -20.066 9.138 1.00 75.52 C ATOM 235 CE2 TYR A 14 9.894 -18.938 9.549 1.00 2.24 C ATOM 236 CZ TYR A 14 8.515 -18.957 9.578 1.00 44.44 C ATOM 237 OH TYR A 14 7.825 -17.863 10.048 1.00 60.01 O ATOM 0 H TYR A 14 10.979 -24.611 5.910 1.00 72.52 H new ATOM 0 HA TYR A 14 9.117 -22.637 6.648 1.00 63.23 H new ATOM 0 HB2 TYR A 14 10.583 -23.181 8.836 1.00 63.34 H new ATOM 0 HB3 TYR A 14 11.726 -22.118 8.038 1.00 63.34 H new ATOM 0 HD1 TYR A 14 7.977 -22.031 8.326 1.00 42.22 H new ATOM 0 HD2 TYR A 14 11.663 -20.019 9.054 1.00 33.23 H new ATOM 0 HE1 TYR A 14 6.745 -20.077 9.161 1.00 75.52 H new ATOM 0 HE2 TYR A 14 10.432 -18.068 9.894 1.00 2.24 H new ATOM 0 HH TYR A 14 8.460 -17.168 10.320 1.00 60.01 H new ATOM 247 N MET A 15 10.482 -22.348 4.400 1.00 0.35 N ATOM 248 CA MET A 15 11.115 -21.722 3.245 1.00 12.54 C ATOM 249 C MET A 15 10.120 -20.847 2.488 1.00 22.31 C ATOM 250 O MET A 15 9.156 -21.347 1.909 1.00 3.54 O ATOM 251 CB MET A 15 11.689 -22.788 2.311 1.00 72.21 C ATOM 252 CG MET A 15 13.044 -22.421 1.730 1.00 45.15 C ATOM 253 SD MET A 15 14.413 -22.914 2.794 1.00 25.32 S ATOM 254 CE MET A 15 15.776 -22.052 2.015 1.00 63.34 C ATOM 0 H MET A 15 9.679 -22.935 4.175 1.00 0.35 H new ATOM 0 HA MET A 15 11.927 -21.090 3.605 1.00 12.54 H new ATOM 0 HB2 MET A 15 11.779 -23.727 2.857 1.00 72.21 H new ATOM 0 HB3 MET A 15 10.987 -22.960 1.495 1.00 72.21 H new ATOM 0 HG2 MET A 15 13.158 -22.896 0.755 1.00 45.15 H new ATOM 0 HG3 MET A 15 13.085 -21.344 1.567 1.00 45.15 H new ATOM 0 HE1 MET A 15 16.697 -22.259 2.561 1.00 63.34 H new ATOM 0 HE2 MET A 15 15.881 -22.392 0.985 1.00 63.34 H new ATOM 0 HE3 MET A 15 15.581 -20.980 2.025 1.00 63.34 H new ATOM 264 N ASN A 16 10.361 -19.540 2.497 1.00 65.31 N ATOM 265 CA ASN A 16 9.486 -18.597 1.811 1.00 12.13 C ATOM 266 C ASN A 16 10.216 -17.289 1.523 1.00 54.45 C ATOM 267 O ASN A 16 11.177 -16.938 2.208 1.00 14.10 O ATOM 268 CB ASN A 16 8.238 -18.323 2.653 1.00 0.32 C ATOM 269 CG ASN A 16 7.229 -19.452 2.576 1.00 20.32 C ATOM 270 OD1 ASN A 16 6.468 -19.493 1.489 1.00 44.31 O flip ATOM 271 ND2 ASN A 16 7.135 -20.279 3.484 1.00 41.44 N flip ATOM 0 H ASN A 16 11.155 -19.110 2.972 1.00 65.31 H new ATOM 0 HA ASN A 16 9.186 -19.042 0.862 1.00 12.13 H new ATOM 0 HB2 ASN A 16 8.530 -18.171 3.692 1.00 0.32 H new ATOM 0 HB3 ASN A 16 7.771 -17.398 2.315 1.00 0.32 H new ATOM 0 HD21 ASN A 16 7.740 -20.209 4.302 1.00 41.44 H new ATOM 0 HD22 ASN A 16 6.452 -21.033 3.418 1.00 41.44 H new ATOM 278 N ILE A 17 9.752 -16.571 0.505 1.00 63.35 N ATOM 279 CA ILE A 17 10.360 -15.301 0.126 1.00 34.35 C ATOM 280 C ILE A 17 9.318 -14.189 0.072 1.00 43.32 C ATOM 281 O ILE A 17 8.454 -14.176 -0.804 1.00 32.31 O ATOM 282 CB ILE A 17 11.063 -15.398 -1.240 1.00 60.42 C ATOM 283 CG1 ILE A 17 12.230 -16.385 -1.168 1.00 44.15 C ATOM 284 CG2 ILE A 17 11.548 -14.027 -1.685 1.00 1.32 C ATOM 285 CD1 ILE A 17 12.636 -16.940 -2.516 1.00 20.01 C ATOM 0 H ILE A 17 8.957 -16.847 -0.072 1.00 63.35 H new ATOM 0 HA ILE A 17 11.101 -15.065 0.890 1.00 34.35 H new ATOM 0 HB ILE A 17 10.347 -15.764 -1.976 1.00 60.42 H new ATOM 0 HG12 ILE A 17 13.088 -15.888 -0.715 1.00 44.15 H new ATOM 0 HG13 ILE A 17 11.957 -17.211 -0.511 1.00 44.15 H new ATOM 0 HG21 ILE A 17 12.043 -14.112 -2.652 1.00 1.32 H new ATOM 0 HG22 ILE A 17 10.698 -13.350 -1.771 1.00 1.32 H new ATOM 0 HG23 ILE A 17 12.252 -13.634 -0.951 1.00 1.32 H new ATOM 0 HD11 ILE A 17 13.468 -17.632 -2.389 1.00 20.01 H new ATOM 0 HD12 ILE A 17 11.792 -17.466 -2.962 1.00 20.01 H new ATOM 0 HD13 ILE A 17 12.941 -16.122 -3.169 1.00 20.01 H new ATOM 297 N ALA A 18 9.409 -13.254 1.013 1.00 74.53 N ATOM 298 CA ALA A 18 8.477 -12.135 1.070 1.00 51.04 C ATOM 299 C ALA A 18 8.940 -10.989 0.176 1.00 72.52 C ATOM 300 O ALA A 18 10.032 -10.450 0.356 1.00 73.30 O ATOM 301 CB ALA A 18 8.315 -11.655 2.504 1.00 23.24 C ATOM 0 H ALA A 18 10.119 -13.250 1.746 1.00 74.53 H new ATOM 0 HA ALA A 18 7.511 -12.481 0.703 1.00 51.04 H new ATOM 0 HB1 ALA A 18 7.616 -10.819 2.531 1.00 23.24 H new ATOM 0 HB2 ALA A 18 7.931 -12.469 3.119 1.00 23.24 H new ATOM 0 HB3 ALA A 18 9.282 -11.333 2.891 1.00 23.24 H new ATOM 307 N VAL A 19 8.103 -10.623 -0.789 1.00 54.54 N ATOM 308 CA VAL A 19 8.426 -9.540 -1.712 1.00 21.55 C ATOM 309 C VAL A 19 7.674 -8.265 -1.348 1.00 74.41 C ATOM 310 O VAL A 19 6.714 -8.297 -0.577 1.00 4.52 O ATOM 311 CB VAL A 19 8.092 -9.924 -3.166 1.00 5.34 C ATOM 312 CG1 VAL A 19 8.952 -9.130 -4.138 1.00 10.13 C ATOM 313 CG2 VAL A 19 8.276 -11.419 -3.377 1.00 54.15 C ATOM 0 H VAL A 19 7.196 -11.060 -0.953 1.00 54.54 H new ATOM 0 HA VAL A 19 9.498 -9.362 -1.629 1.00 21.55 H new ATOM 0 HB VAL A 19 7.047 -9.679 -3.358 1.00 5.34 H new ATOM 0 HG11 VAL A 19 8.703 -9.414 -5.160 1.00 10.13 H new ATOM 0 HG12 VAL A 19 8.766 -8.065 -4.002 1.00 10.13 H new ATOM 0 HG13 VAL A 19 10.004 -9.342 -3.949 1.00 10.13 H new ATOM 0 HG21 VAL A 19 8.036 -11.673 -4.409 1.00 54.15 H new ATOM 0 HG22 VAL A 19 9.310 -11.691 -3.168 1.00 54.15 H new ATOM 0 HG23 VAL A 19 7.614 -11.965 -2.705 1.00 54.15 H new ATOM 323 N TYR A 20 8.114 -7.145 -1.909 1.00 4.10 N ATOM 324 CA TYR A 20 7.484 -5.857 -1.643 1.00 32.53 C ATOM 325 C TYR A 20 7.502 -4.974 -2.887 1.00 20.34 C ATOM 326 O TYR A 20 8.534 -4.826 -3.540 1.00 70.11 O ATOM 327 CB TYR A 20 8.194 -5.147 -0.489 1.00 34.22 C ATOM 328 CG TYR A 20 8.240 -5.960 0.785 1.00 3.24 C ATOM 329 CD1 TYR A 20 7.090 -6.184 1.532 1.00 72.34 C ATOM 330 CD2 TYR A 20 9.434 -6.502 1.244 1.00 65.14 C ATOM 331 CE1 TYR A 20 7.128 -6.926 2.697 1.00 54.41 C ATOM 332 CE2 TYR A 20 9.481 -7.246 2.407 1.00 44.22 C ATOM 333 CZ TYR A 20 8.326 -7.455 3.130 1.00 54.40 C ATOM 334 OH TYR A 20 8.368 -8.194 4.290 1.00 44.40 O ATOM 0 H TYR A 20 8.905 -7.102 -2.551 1.00 4.10 H new ATOM 0 HA TYR A 20 6.446 -6.040 -1.365 1.00 32.53 H new ATOM 0 HB2 TYR A 20 9.213 -4.906 -0.793 1.00 34.22 H new ATOM 0 HB3 TYR A 20 7.689 -4.202 -0.289 1.00 34.22 H new ATOM 0 HD1 TYR A 20 6.150 -5.771 1.196 1.00 72.34 H new ATOM 0 HD2 TYR A 20 10.341 -6.339 0.682 1.00 65.14 H new ATOM 0 HE1 TYR A 20 6.225 -7.091 3.265 1.00 54.41 H new ATOM 0 HE2 TYR A 20 10.418 -7.662 2.748 1.00 44.22 H new ATOM 0 HH TYR A 20 9.286 -8.495 4.453 1.00 44.40 H new ATOM 344 N GLU A 21 6.352 -4.390 -3.206 1.00 54.32 N ATOM 345 CA GLU A 21 6.235 -3.521 -4.372 1.00 31.14 C ATOM 346 C GLU A 21 6.174 -2.055 -3.953 1.00 42.23 C ATOM 347 O GLU A 21 5.715 -1.729 -2.859 1.00 63.14 O ATOM 348 CB GLU A 21 4.989 -3.883 -5.183 1.00 20.43 C ATOM 349 CG GLU A 21 4.974 -3.280 -6.577 1.00 71.01 C ATOM 350 CD GLU A 21 3.645 -3.474 -7.282 1.00 45.12 C ATOM 351 OE1 GLU A 21 2.808 -4.244 -6.769 1.00 74.41 O ATOM 352 OE2 GLU A 21 3.444 -2.854 -8.348 1.00 22.13 O ATOM 0 H GLU A 21 5.489 -4.502 -2.675 1.00 54.32 H new ATOM 0 HA GLU A 21 7.119 -3.668 -4.993 1.00 31.14 H new ATOM 0 HB2 GLU A 21 4.922 -4.968 -5.265 1.00 20.43 H new ATOM 0 HB3 GLU A 21 4.104 -3.548 -4.642 1.00 20.43 H new ATOM 0 HG2 GLU A 21 5.194 -2.214 -6.510 1.00 71.01 H new ATOM 0 HG3 GLU A 21 5.767 -3.732 -7.173 1.00 71.01 H new ATOM 359 N ASN A 22 6.642 -1.175 -4.833 1.00 14.20 N ATOM 360 CA ASN A 22 6.642 0.257 -4.555 1.00 71.13 C ATOM 361 C ASN A 22 5.768 1.006 -5.557 1.00 62.53 C ATOM 362 O ASN A 22 5.634 0.594 -6.709 1.00 11.02 O ATOM 363 CB ASN A 22 8.070 0.805 -4.597 1.00 53.31 C ATOM 364 CG ASN A 22 8.105 2.317 -4.717 1.00 63.40 C ATOM 365 OD1 ASN A 22 8.602 2.861 -5.703 1.00 71.45 O ATOM 366 ND2 ASN A 22 7.577 3.002 -3.710 1.00 3.51 N ATOM 0 H ASN A 22 7.026 -1.428 -5.744 1.00 14.20 H new ATOM 0 HA ASN A 22 6.231 0.408 -3.557 1.00 71.13 H new ATOM 0 HB2 ASN A 22 8.599 0.502 -3.693 1.00 53.31 H new ATOM 0 HB3 ASN A 22 8.601 0.364 -5.440 1.00 53.31 H new ATOM 0 HD21 ASN A 22 7.572 4.022 -3.734 1.00 3.51 H new ATOM 0 HD22 ASN A 22 7.176 2.509 -2.912 1.00 3.51 H new ATOM 373 N GLY A 23 5.176 2.109 -5.110 1.00 20.23 N ATOM 374 CA GLY A 23 4.323 2.898 -5.979 1.00 62.23 C ATOM 375 C GLY A 23 5.092 3.546 -7.113 1.00 64.12 C ATOM 376 O GLY A 23 4.760 3.361 -8.284 1.00 34.43 O ATOM 0 H GLY A 23 5.272 2.470 -4.161 1.00 20.23 H new ATOM 0 HA2 GLY A 23 3.541 2.261 -6.392 1.00 62.23 H new ATOM 0 HA3 GLY A 23 3.827 3.671 -5.392 1.00 62.23 H new ATOM 380 N SER A 24 6.123 4.310 -6.766 1.00 63.13 N ATOM 381 CA SER A 24 6.939 4.993 -7.764 1.00 32.41 C ATOM 382 C SER A 24 7.424 4.015 -8.830 1.00 52.23 C ATOM 383 O SER A 24 6.976 4.056 -9.977 1.00 24.13 O ATOM 384 CB SER A 24 8.136 5.672 -7.097 1.00 10.25 C ATOM 385 OG SER A 24 8.148 5.428 -5.701 1.00 22.03 O ATOM 0 H SER A 24 6.413 4.472 -5.802 1.00 63.13 H new ATOM 0 HA SER A 24 6.322 5.752 -8.245 1.00 32.41 H new ATOM 0 HB2 SER A 24 9.061 5.304 -7.542 1.00 10.25 H new ATOM 0 HB3 SER A 24 8.098 6.746 -7.281 1.00 10.25 H new ATOM 0 HG SER A 24 8.654 4.609 -5.516 1.00 22.03 H new ATOM 391 N LYS A 25 8.342 3.136 -8.444 1.00 44.33 N ATOM 392 CA LYS A 25 8.889 2.146 -9.365 1.00 3.34 C ATOM 393 C LYS A 25 8.749 0.738 -8.795 1.00 51.23 C ATOM 394 O LYS A 25 8.173 0.547 -7.724 1.00 33.40 O ATOM 395 CB LYS A 25 10.362 2.447 -9.653 1.00 71.31 C ATOM 396 CG LYS A 25 10.582 3.753 -10.395 1.00 50.45 C ATOM 397 CD LYS A 25 10.457 3.569 -11.899 1.00 20.25 C ATOM 398 CE LYS A 25 11.772 3.119 -12.516 1.00 44.41 C ATOM 399 NZ LYS A 25 11.585 2.585 -13.893 1.00 54.45 N ATOM 0 H LYS A 25 8.723 3.089 -7.499 1.00 44.33 H new ATOM 0 HA LYS A 25 8.324 2.200 -10.296 1.00 3.34 H new ATOM 0 HB2 LYS A 25 10.909 2.478 -8.711 1.00 71.31 H new ATOM 0 HB3 LYS A 25 10.783 1.630 -10.239 1.00 71.31 H new ATOM 0 HG2 LYS A 25 9.855 4.492 -10.056 1.00 50.45 H new ATOM 0 HG3 LYS A 25 11.570 4.146 -10.157 1.00 50.45 H new ATOM 0 HD2 LYS A 25 9.682 2.833 -12.114 1.00 20.25 H new ATOM 0 HD3 LYS A 25 10.141 4.507 -12.356 1.00 20.25 H new ATOM 0 HE2 LYS A 25 12.466 3.959 -12.543 1.00 44.41 H new ATOM 0 HE3 LYS A 25 12.224 2.352 -11.887 1.00 44.41 H new ATOM 0 HZ1 LYS A 25 12.455 2.106 -14.201 1.00 54.45 H new ATOM 0 HZ2 LYS A 25 10.796 1.907 -13.898 1.00 54.45 H new ATOM 0 HZ3 LYS A 25 11.373 3.368 -14.543 1.00 54.45 H new ATOM 413 N ILE A 26 9.280 -0.243 -9.517 1.00 53.35 N ATOM 414 CA ILE A 26 9.215 -1.632 -9.082 1.00 62.31 C ATOM 415 C ILE A 26 10.357 -1.963 -8.127 1.00 1.41 C ATOM 416 O ILE A 26 11.483 -1.498 -8.304 1.00 25.14 O ATOM 417 CB ILE A 26 9.266 -2.600 -10.279 1.00 72.20 C ATOM 418 CG1 ILE A 26 8.083 -2.349 -11.217 1.00 1.34 C ATOM 419 CG2 ILE A 26 9.267 -4.042 -9.794 1.00 62.23 C ATOM 420 CD1 ILE A 26 6.758 -2.814 -10.656 1.00 33.15 C ATOM 0 H ILE A 26 9.760 -0.101 -10.406 1.00 53.35 H new ATOM 0 HA ILE A 26 8.264 -1.756 -8.565 1.00 62.31 H new ATOM 0 HB ILE A 26 10.188 -2.422 -10.832 1.00 72.20 H new ATOM 0 HG12 ILE A 26 8.022 -1.283 -11.434 1.00 1.34 H new ATOM 0 HG13 ILE A 26 8.266 -2.857 -12.164 1.00 1.34 H new ATOM 0 HG21 ILE A 26 9.303 -4.714 -10.651 1.00 62.23 H new ATOM 0 HG22 ILE A 26 10.138 -4.213 -9.162 1.00 62.23 H new ATOM 0 HG23 ILE A 26 8.360 -4.234 -9.221 1.00 62.23 H new ATOM 0 HD11 ILE A 26 5.965 -2.604 -11.374 1.00 33.15 H new ATOM 0 HD12 ILE A 26 6.800 -3.886 -10.465 1.00 33.15 H new ATOM 0 HD13 ILE A 26 6.552 -2.287 -9.724 1.00 33.15 H new ATOM 432 N LYS A 27 10.059 -2.770 -7.114 1.00 43.24 N ATOM 433 CA LYS A 27 11.061 -3.167 -6.132 1.00 15.55 C ATOM 434 C LYS A 27 10.951 -4.654 -5.813 1.00 71.22 C ATOM 435 O LYS A 27 9.851 -5.195 -5.703 1.00 23.52 O ATOM 436 CB LYS A 27 10.899 -2.347 -4.849 1.00 43.45 C ATOM 437 CG LYS A 27 11.749 -2.849 -3.695 1.00 61.12 C ATOM 438 CD LYS A 27 12.293 -1.701 -2.862 1.00 0.21 C ATOM 439 CE LYS A 27 13.612 -1.185 -3.417 1.00 72.01 C ATOM 440 NZ LYS A 27 13.975 0.140 -2.843 1.00 22.15 N ATOM 0 H LYS A 27 9.131 -3.162 -6.952 1.00 43.24 H new ATOM 0 HA LYS A 27 12.046 -2.976 -6.557 1.00 15.55 H new ATOM 0 HB2 LYS A 27 11.159 -1.309 -5.056 1.00 43.45 H new ATOM 0 HB3 LYS A 27 9.851 -2.360 -4.550 1.00 43.45 H new ATOM 0 HG2 LYS A 27 11.153 -3.508 -3.063 1.00 61.12 H new ATOM 0 HG3 LYS A 27 12.577 -3.442 -4.083 1.00 61.12 H new ATOM 0 HD2 LYS A 27 11.565 -0.890 -2.839 1.00 0.21 H new ATOM 0 HD3 LYS A 27 12.435 -2.032 -1.833 1.00 0.21 H new ATOM 0 HE2 LYS A 27 14.403 -1.903 -3.201 1.00 72.01 H new ATOM 0 HE3 LYS A 27 13.543 -1.104 -4.502 1.00 72.01 H new ATOM 0 HZ1 LYS A 27 14.880 0.457 -3.246 1.00 22.15 H new ATOM 0 HZ2 LYS A 27 13.233 0.832 -3.071 1.00 22.15 H new ATOM 0 HZ3 LYS A 27 14.066 0.058 -1.810 1.00 22.15 H new ATOM 454 N ALA A 28 12.098 -5.309 -5.665 1.00 71.24 N ATOM 455 CA ALA A 28 12.130 -6.733 -5.356 1.00 60.22 C ATOM 456 C ALA A 28 13.085 -7.023 -4.204 1.00 25.34 C ATOM 457 O ALA A 28 14.304 -7.009 -4.377 1.00 23.22 O ATOM 458 CB ALA A 28 12.528 -7.532 -6.588 1.00 64.13 C ATOM 0 H ALA A 28 13.017 -4.876 -5.754 1.00 71.24 H new ATOM 0 HA ALA A 28 11.129 -7.035 -5.049 1.00 60.22 H new ATOM 0 HB1 ALA A 28 12.548 -8.594 -6.342 1.00 64.13 H new ATOM 0 HB2 ALA A 28 11.805 -7.357 -7.384 1.00 64.13 H new ATOM 0 HB3 ALA A 28 13.517 -7.218 -6.921 1.00 64.13 H new ATOM 464 N ARG A 29 12.524 -7.285 -3.028 1.00 25.14 N ATOM 465 CA ARG A 29 13.327 -7.577 -1.846 1.00 43.51 C ATOM 466 C ARG A 29 13.115 -9.016 -1.386 1.00 12.33 C ATOM 467 O ARG A 29 12.065 -9.356 -0.840 1.00 53.44 O ATOM 468 CB ARG A 29 12.976 -6.610 -0.713 1.00 73.24 C ATOM 469 CG ARG A 29 13.802 -6.820 0.545 1.00 71.41 C ATOM 470 CD ARG A 29 13.044 -6.383 1.789 1.00 50.05 C ATOM 471 NE ARG A 29 12.538 -5.018 1.669 1.00 32.23 N ATOM 472 CZ ARG A 29 11.869 -4.396 2.633 1.00 1.55 C ATOM 473 NH1 ARG A 29 11.628 -5.012 3.782 1.00 32.12 N ATOM 474 NH2 ARG A 29 11.441 -3.153 2.450 1.00 72.23 N ATOM 0 H ARG A 29 11.517 -7.301 -2.868 1.00 25.14 H new ATOM 0 HA ARG A 29 14.377 -7.450 -2.110 1.00 43.51 H new ATOM 0 HB2 ARG A 29 13.116 -5.587 -1.063 1.00 73.24 H new ATOM 0 HB3 ARG A 29 11.920 -6.720 -0.467 1.00 73.24 H new ATOM 0 HG2 ARG A 29 14.072 -7.872 0.633 1.00 71.41 H new ATOM 0 HG3 ARG A 29 14.733 -6.258 0.469 1.00 71.41 H new ATOM 0 HD2 ARG A 29 12.211 -7.064 1.965 1.00 50.05 H new ATOM 0 HD3 ARG A 29 13.700 -6.452 2.657 1.00 50.05 H new ATOM 0 HE ARG A 29 12.708 -4.515 0.798 1.00 32.23 H new ATOM 0 HH11 ARG A 29 11.957 -5.967 3.928 1.00 32.12 H new ATOM 0 HH12 ARG A 29 11.114 -4.531 4.520 1.00 32.12 H new ATOM 0 HH21 ARG A 29 11.626 -2.675 1.568 1.00 72.23 H new ATOM 0 HH22 ARG A 29 10.927 -2.676 3.191 1.00 72.23 H new ATOM 488 N VAL A 30 14.119 -9.858 -1.610 1.00 12.34 N ATOM 489 CA VAL A 30 14.042 -11.260 -1.218 1.00 4.14 C ATOM 490 C VAL A 30 14.276 -11.425 0.280 1.00 73.31 C ATOM 491 O VAL A 30 15.406 -11.327 0.756 1.00 20.00 O ATOM 492 CB VAL A 30 15.071 -12.114 -1.984 1.00 15.44 C ATOM 493 CG1 VAL A 30 15.155 -13.510 -1.387 1.00 63.32 C ATOM 494 CG2 VAL A 30 14.715 -12.177 -3.461 1.00 52.43 C ATOM 0 H VAL A 30 14.995 -9.593 -2.061 1.00 12.34 H new ATOM 0 HA VAL A 30 13.038 -11.604 -1.466 1.00 4.14 H new ATOM 0 HB VAL A 30 16.050 -11.645 -1.890 1.00 15.44 H new ATOM 0 HG11 VAL A 30 15.886 -14.099 -1.940 1.00 63.32 H new ATOM 0 HG12 VAL A 30 15.460 -13.441 -0.343 1.00 63.32 H new ATOM 0 HG13 VAL A 30 14.179 -13.992 -1.449 1.00 63.32 H new ATOM 0 HG21 VAL A 30 15.452 -12.784 -3.987 1.00 52.43 H new ATOM 0 HG22 VAL A 30 13.727 -12.623 -3.578 1.00 52.43 H new ATOM 0 HG23 VAL A 30 14.710 -11.170 -3.877 1.00 52.43 H new ATOM 504 N GLU A 31 13.198 -11.678 1.017 1.00 44.42 N ATOM 505 CA GLU A 31 13.287 -11.856 2.461 1.00 35.43 C ATOM 506 C GLU A 31 12.989 -13.302 2.850 1.00 51.13 C ATOM 507 O GLU A 31 11.882 -13.796 2.640 1.00 22.53 O ATOM 508 CB GLU A 31 12.314 -10.915 3.174 1.00 1.44 C ATOM 509 CG GLU A 31 12.168 -11.201 4.659 1.00 21.05 C ATOM 510 CD GLU A 31 11.641 -10.009 5.434 1.00 32.14 C ATOM 511 OE1 GLU A 31 11.933 -8.863 5.033 1.00 22.33 O ATOM 512 OE2 GLU A 31 10.935 -10.223 6.442 1.00 10.24 O ATOM 0 H GLU A 31 12.255 -11.764 0.638 1.00 44.42 H new ATOM 0 HA GLU A 31 14.305 -11.617 2.769 1.00 35.43 H new ATOM 0 HB2 GLU A 31 12.653 -9.888 3.042 1.00 1.44 H new ATOM 0 HB3 GLU A 31 11.335 -10.991 2.700 1.00 1.44 H new ATOM 0 HG2 GLU A 31 11.494 -12.046 4.798 1.00 21.05 H new ATOM 0 HG3 GLU A 31 13.136 -11.495 5.065 1.00 21.05 H new ATOM 519 N ASN A 32 13.986 -13.973 3.416 1.00 22.43 N ATOM 520 CA ASN A 32 13.832 -15.363 3.833 1.00 5.52 C ATOM 521 C ASN A 32 13.184 -15.448 5.212 1.00 65.23 C ATOM 522 O ASN A 32 13.189 -14.481 5.973 1.00 52.41 O ATOM 523 CB ASN A 32 15.192 -16.065 3.852 1.00 52.42 C ATOM 524 CG ASN A 32 15.065 -17.572 3.746 1.00 24.11 C ATOM 525 OD1 ASN A 32 13.964 -18.106 3.612 1.00 42.11 O ATOM 526 ND2 ASN A 32 16.196 -18.266 3.807 1.00 71.12 N ATOM 0 H ASN A 32 14.909 -13.578 3.597 1.00 22.43 H new ATOM 0 HA ASN A 32 13.183 -15.863 3.114 1.00 5.52 H new ATOM 0 HB2 ASN A 32 15.800 -15.695 3.027 1.00 52.42 H new ATOM 0 HB3 ASN A 32 15.716 -15.811 4.773 1.00 52.42 H new ATOM 0 HD21 ASN A 32 16.174 -19.284 3.742 1.00 71.12 H new ATOM 0 HD22 ASN A 32 17.086 -17.781 3.919 1.00 71.12 H new ATOM 533 N VAL A 33 12.628 -16.614 5.527 1.00 42.32 N ATOM 534 CA VAL A 33 11.978 -16.827 6.814 1.00 74.10 C ATOM 535 C VAL A 33 12.659 -17.945 7.595 1.00 35.31 C ATOM 536 O VAL A 33 12.639 -17.958 8.826 1.00 23.40 O ATOM 537 CB VAL A 33 10.487 -17.172 6.639 1.00 33.30 C ATOM 538 CG1 VAL A 33 9.779 -16.091 5.838 1.00 54.44 C ATOM 539 CG2 VAL A 33 10.329 -18.530 5.972 1.00 24.52 C ATOM 0 H VAL A 33 12.615 -17.425 4.908 1.00 42.32 H new ATOM 0 HA VAL A 33 12.065 -15.894 7.371 1.00 74.10 H new ATOM 0 HB VAL A 33 10.026 -17.221 7.625 1.00 33.30 H new ATOM 0 HG11 VAL A 33 8.727 -16.352 5.725 1.00 54.44 H new ATOM 0 HG12 VAL A 33 9.862 -15.138 6.360 1.00 54.44 H new ATOM 0 HG13 VAL A 33 10.240 -16.007 4.854 1.00 54.44 H new ATOM 0 HG21 VAL A 33 9.269 -18.757 5.856 1.00 24.52 H new ATOM 0 HG22 VAL A 33 10.805 -18.512 4.992 1.00 24.52 H new ATOM 0 HG23 VAL A 33 10.799 -19.295 6.589 1.00 24.52 H new ATOM 549 N VAL A 34 13.261 -18.883 6.871 1.00 21.54 N ATOM 550 CA VAL A 34 13.950 -20.006 7.496 1.00 23.12 C ATOM 551 C VAL A 34 14.922 -19.526 8.568 1.00 24.41 C ATOM 552 O VAL A 34 15.165 -20.219 9.555 1.00 32.23 O ATOM 553 CB VAL A 34 14.721 -20.841 6.456 1.00 1.41 C ATOM 554 CG1 VAL A 34 16.066 -20.200 6.148 1.00 21.41 C ATOM 555 CG2 VAL A 34 14.901 -22.269 6.947 1.00 4.05 C ATOM 0 H VAL A 34 13.286 -18.888 5.851 1.00 21.54 H new ATOM 0 HA VAL A 34 13.185 -20.630 7.957 1.00 23.12 H new ATOM 0 HB VAL A 34 14.140 -20.869 5.534 1.00 1.41 H new ATOM 0 HG11 VAL A 34 16.597 -20.804 5.412 1.00 21.41 H new ATOM 0 HG12 VAL A 34 15.909 -19.197 5.750 1.00 21.41 H new ATOM 0 HG13 VAL A 34 16.658 -20.139 7.061 1.00 21.41 H new ATOM 0 HG21 VAL A 34 15.448 -22.844 6.200 1.00 4.05 H new ATOM 0 HG22 VAL A 34 15.461 -22.264 7.882 1.00 4.05 H new ATOM 0 HG23 VAL A 34 13.924 -22.723 7.111 1.00 4.05 H new ATOM 565 N ASN A 35 15.476 -18.335 8.367 1.00 63.15 N ATOM 566 CA ASN A 35 16.423 -17.762 9.316 1.00 11.33 C ATOM 567 C ASN A 35 15.805 -16.576 10.051 1.00 3.03 C ATOM 568 O ASN A 35 16.233 -16.221 11.149 1.00 62.22 O ATOM 569 CB ASN A 35 17.698 -17.321 8.594 1.00 11.25 C ATOM 570 CG ASN A 35 18.810 -18.345 8.708 1.00 24.13 C ATOM 571 OD1 ASN A 35 19.481 -18.438 9.737 1.00 50.24 O ATOM 572 ND2 ASN A 35 19.011 -19.120 7.649 1.00 65.21 N ATOM 0 H ASN A 35 15.285 -17.748 7.555 1.00 63.15 H new ATOM 0 HA ASN A 35 16.676 -18.529 10.048 1.00 11.33 H new ATOM 0 HB2 ASN A 35 17.475 -17.147 7.541 1.00 11.25 H new ATOM 0 HB3 ASN A 35 18.038 -16.372 9.009 1.00 11.25 H new ATOM 0 HD21 ASN A 35 19.745 -19.828 7.667 1.00 65.21 H new ATOM 0 HD22 ASN A 35 18.431 -19.008 6.818 1.00 65.21 H new ATOM 579 N GLY A 36 14.795 -15.967 9.437 1.00 2.15 N ATOM 580 CA GLY A 36 14.134 -14.828 10.048 1.00 65.12 C ATOM 581 C GLY A 36 14.786 -13.511 9.675 1.00 61.32 C ATOM 582 O GLY A 36 14.258 -12.441 9.977 1.00 42.22 O ATOM 0 H GLY A 36 14.423 -16.242 8.528 1.00 2.15 H new ATOM 0 HA2 GLY A 36 13.088 -14.812 9.742 1.00 65.12 H new ATOM 0 HA3 GLY A 36 14.147 -14.942 11.132 1.00 65.12 H new ATOM 586 N LYS A 37 15.938 -13.588 9.017 1.00 22.44 N ATOM 587 CA LYS A 37 16.664 -12.394 8.602 1.00 24.14 C ATOM 588 C LYS A 37 16.583 -12.206 7.091 1.00 40.41 C ATOM 589 O LYS A 37 17.004 -13.072 6.324 1.00 15.03 O ATOM 590 CB LYS A 37 18.129 -12.486 9.038 1.00 53.45 C ATOM 591 CG LYS A 37 18.987 -11.341 8.527 1.00 24.33 C ATOM 592 CD LYS A 37 18.595 -10.021 9.168 1.00 53.30 C ATOM 593 CE LYS A 37 18.183 -8.995 8.123 1.00 32.01 C ATOM 594 NZ LYS A 37 18.573 -7.613 8.518 1.00 34.24 N ATOM 0 H LYS A 37 16.389 -14.466 8.760 1.00 22.44 H new ATOM 0 HA LYS A 37 16.201 -11.532 9.083 1.00 24.14 H new ATOM 0 HB2 LYS A 37 18.175 -12.506 10.127 1.00 53.45 H new ATOM 0 HB3 LYS A 37 18.547 -13.428 8.684 1.00 53.45 H new ATOM 0 HG2 LYS A 37 20.036 -11.550 8.736 1.00 24.33 H new ATOM 0 HG3 LYS A 37 18.886 -11.265 7.444 1.00 24.33 H new ATOM 0 HD2 LYS A 37 17.772 -10.183 9.864 1.00 53.30 H new ATOM 0 HD3 LYS A 37 19.432 -9.634 9.749 1.00 53.30 H new ATOM 0 HE2 LYS A 37 18.645 -9.244 7.168 1.00 32.01 H new ATOM 0 HE3 LYS A 37 17.104 -9.040 7.976 1.00 32.01 H new ATOM 0 HZ1 LYS A 37 18.275 -6.944 7.780 1.00 34.24 H new ATOM 0 HZ2 LYS A 37 18.112 -7.366 9.417 1.00 34.24 H new ATOM 0 HZ3 LYS A 37 19.605 -7.563 8.634 1.00 34.24 H new ATOM 608 N SER A 38 16.041 -11.068 6.669 1.00 11.54 N ATOM 609 CA SER A 38 15.903 -10.767 5.249 1.00 13.43 C ATOM 610 C SER A 38 17.267 -10.534 4.608 1.00 63.31 C ATOM 611 O SER A 38 17.976 -9.589 4.954 1.00 22.11 O ATOM 612 CB SER A 38 15.017 -9.535 5.051 1.00 0.01 C ATOM 613 OG SER A 38 15.682 -8.356 5.469 1.00 4.23 O ATOM 0 H SER A 38 15.690 -10.339 7.290 1.00 11.54 H new ATOM 0 HA SER A 38 15.435 -11.624 4.765 1.00 13.43 H new ATOM 0 HB2 SER A 38 14.740 -9.447 4.000 1.00 0.01 H new ATOM 0 HB3 SER A 38 14.092 -9.654 5.615 1.00 0.01 H new ATOM 0 HG SER A 38 16.647 -8.520 5.505 1.00 4.23 H new ATOM 619 N VAL A 39 17.629 -11.404 3.670 1.00 23.22 N ATOM 620 CA VAL A 39 18.908 -11.295 2.978 1.00 1.35 C ATOM 621 C VAL A 39 18.708 -11.130 1.476 1.00 30.31 C ATOM 622 O VAL A 39 19.131 -11.974 0.687 1.00 42.32 O ATOM 623 CB VAL A 39 19.793 -12.529 3.235 1.00 33.14 C ATOM 624 CG1 VAL A 39 20.511 -12.403 4.570 1.00 32.24 C ATOM 625 CG2 VAL A 39 18.959 -13.801 3.187 1.00 42.22 C ATOM 0 H VAL A 39 17.054 -12.192 3.372 1.00 23.22 H new ATOM 0 HA VAL A 39 19.407 -10.411 3.374 1.00 1.35 H new ATOM 0 HB VAL A 39 20.546 -12.585 2.449 1.00 33.14 H new ATOM 0 HG11 VAL A 39 21.131 -13.284 4.734 1.00 32.24 H new ATOM 0 HG12 VAL A 39 21.140 -11.513 4.562 1.00 32.24 H new ATOM 0 HG13 VAL A 39 19.777 -12.322 5.372 1.00 32.24 H new ATOM 0 HG21 VAL A 39 19.600 -14.663 3.371 1.00 42.22 H new ATOM 0 HG22 VAL A 39 18.183 -13.756 3.951 1.00 42.22 H new ATOM 0 HG23 VAL A 39 18.496 -13.896 2.205 1.00 42.22 H new ATOM 635 N GLY A 40 18.059 -10.037 1.087 1.00 4.30 N ATOM 636 CA GLY A 40 17.814 -9.781 -0.320 1.00 44.33 C ATOM 637 C GLY A 40 17.390 -8.350 -0.584 1.00 13.30 C ATOM 638 O GLY A 40 16.472 -7.839 0.058 1.00 70.44 O ATOM 0 H GLY A 40 17.699 -9.324 1.721 1.00 4.30 H new ATOM 0 HA2 GLY A 40 18.718 -10.000 -0.889 1.00 44.33 H new ATOM 0 HA3 GLY A 40 17.040 -10.458 -0.680 1.00 44.33 H new ATOM 642 N ALA A 41 18.060 -7.700 -1.530 1.00 0.11 N ATOM 643 CA ALA A 41 17.747 -6.319 -1.877 1.00 34.41 C ATOM 644 C ALA A 41 18.071 -6.034 -3.339 1.00 50.33 C ATOM 645 O ALA A 41 19.208 -6.209 -3.778 1.00 74.04 O ATOM 646 CB ALA A 41 18.505 -5.362 -0.969 1.00 54.13 C ATOM 0 H ALA A 41 18.823 -8.108 -2.070 1.00 0.11 H new ATOM 0 HA ALA A 41 16.677 -6.167 -1.733 1.00 34.41 H new ATOM 0 HB1 ALA A 41 18.262 -4.334 -1.239 1.00 54.13 H new ATOM 0 HB2 ALA A 41 18.220 -5.542 0.068 1.00 54.13 H new ATOM 0 HB3 ALA A 41 19.577 -5.523 -1.084 1.00 54.13 H new ATOM 652 N ARG A 42 17.065 -5.594 -4.089 1.00 4.34 N ATOM 653 CA ARG A 42 17.244 -5.286 -5.502 1.00 51.34 C ATOM 654 C ARG A 42 16.234 -4.238 -5.962 1.00 44.03 C ATOM 655 O ARG A 42 15.209 -4.023 -5.315 1.00 63.12 O ATOM 656 CB ARG A 42 17.098 -6.554 -6.345 1.00 21.31 C ATOM 657 CG ARG A 42 18.425 -7.204 -6.702 1.00 51.24 C ATOM 658 CD ARG A 42 19.252 -6.314 -7.617 1.00 61.22 C ATOM 659 NE ARG A 42 19.044 -6.635 -9.027 1.00 5.13 N ATOM 660 CZ ARG A 42 19.559 -5.926 -10.025 1.00 54.43 C ATOM 661 NH1 ARG A 42 20.307 -4.861 -9.770 1.00 62.42 N ATOM 662 NH2 ARG A 42 19.325 -6.281 -11.282 1.00 52.32 N ATOM 0 H ARG A 42 16.118 -5.443 -3.741 1.00 4.34 H new ATOM 0 HA ARG A 42 18.248 -4.883 -5.636 1.00 51.34 H new ATOM 0 HB2 ARG A 42 16.485 -7.273 -5.801 1.00 21.31 H new ATOM 0 HB3 ARG A 42 16.564 -6.310 -7.263 1.00 21.31 H new ATOM 0 HG2 ARG A 42 18.986 -7.413 -5.791 1.00 51.24 H new ATOM 0 HG3 ARG A 42 18.243 -8.161 -7.191 1.00 51.24 H new ATOM 0 HD2 ARG A 42 18.991 -5.271 -7.440 1.00 61.22 H new ATOM 0 HD3 ARG A 42 20.308 -6.424 -7.372 1.00 61.22 H new ATOM 0 HE ARG A 42 18.472 -7.448 -9.257 1.00 5.13 H new ATOM 0 HH11 ARG A 42 20.488 -4.584 -8.805 1.00 62.42 H new ATOM 0 HH12 ARG A 42 20.701 -4.319 -10.539 1.00 62.42 H new ATOM 0 HH21 ARG A 42 18.749 -7.099 -11.482 1.00 52.32 H new ATOM 0 HH22 ARG A 42 19.721 -5.736 -12.048 1.00 52.32 H new ATOM 676 N ASP A 43 16.532 -3.589 -7.082 1.00 42.04 N ATOM 677 CA ASP A 43 15.651 -2.564 -7.630 1.00 12.15 C ATOM 678 C ASP A 43 15.306 -2.864 -9.085 1.00 33.32 C ATOM 679 O ASP A 43 16.189 -2.952 -9.938 1.00 0.11 O ATOM 680 CB ASP A 43 16.307 -1.187 -7.522 1.00 11.51 C ATOM 681 CG ASP A 43 15.290 -0.065 -7.447 1.00 54.00 C ATOM 682 OD1 ASP A 43 14.509 0.092 -8.409 1.00 12.35 O ATOM 683 OD2 ASP A 43 15.275 0.656 -6.427 1.00 51.13 O ATOM 0 H ASP A 43 17.377 -3.754 -7.629 1.00 42.04 H new ATOM 0 HA ASP A 43 14.728 -2.565 -7.050 1.00 12.15 H new ATOM 0 HB2 ASP A 43 16.941 -1.158 -6.636 1.00 11.51 H new ATOM 0 HB3 ASP A 43 16.956 -1.028 -8.383 1.00 11.51 H new ATOM 688 N PHE A 44 14.015 -3.022 -9.361 1.00 64.31 N ATOM 689 CA PHE A 44 13.553 -3.315 -10.713 1.00 23.22 C ATOM 690 C PHE A 44 12.794 -2.128 -11.297 1.00 42.53 C ATOM 691 O PHE A 44 12.642 -1.093 -10.647 1.00 31.42 O ATOM 692 CB PHE A 44 12.658 -4.556 -10.711 1.00 22.11 C ATOM 693 CG PHE A 44 13.416 -5.842 -10.875 1.00 63.30 C ATOM 694 CD1 PHE A 44 14.586 -6.068 -10.167 1.00 15.24 C ATOM 695 CD2 PHE A 44 12.959 -6.826 -11.737 1.00 45.02 C ATOM 696 CE1 PHE A 44 15.285 -7.250 -10.316 1.00 63.24 C ATOM 697 CE2 PHE A 44 13.655 -8.011 -11.891 1.00 11.42 C ATOM 698 CZ PHE A 44 14.819 -8.223 -11.179 1.00 32.34 C ATOM 0 H PHE A 44 13.271 -2.952 -8.667 1.00 64.31 H new ATOM 0 HA PHE A 44 14.427 -3.507 -11.335 1.00 23.22 H new ATOM 0 HB2 PHE A 44 12.099 -4.590 -9.776 1.00 22.11 H new ATOM 0 HB3 PHE A 44 11.928 -4.469 -11.516 1.00 22.11 H new ATOM 0 HD1 PHE A 44 14.955 -5.311 -9.491 1.00 15.24 H new ATOM 0 HD2 PHE A 44 12.048 -6.666 -12.295 1.00 45.02 H new ATOM 0 HE1 PHE A 44 16.195 -7.413 -9.758 1.00 63.24 H new ATOM 0 HE2 PHE A 44 13.289 -8.769 -12.567 1.00 11.42 H new ATOM 0 HZ PHE A 44 15.364 -9.148 -11.297 1.00 32.34 H new ATOM 708 N ASP A 45 12.321 -2.284 -12.529 1.00 10.13 N ATOM 709 CA ASP A 45 11.577 -1.226 -13.202 1.00 42.40 C ATOM 710 C ASP A 45 10.202 -1.721 -13.638 1.00 14.34 C ATOM 711 O ASP A 45 9.208 -1.002 -13.526 1.00 63.21 O ATOM 712 CB ASP A 45 12.357 -0.717 -14.415 1.00 45.12 C ATOM 713 CG ASP A 45 13.801 -0.397 -14.082 1.00 44.11 C ATOM 714 OD1 ASP A 45 14.074 0.748 -13.664 1.00 33.43 O ATOM 715 OD2 ASP A 45 14.659 -1.291 -14.241 1.00 4.33 O ATOM 0 H ASP A 45 12.440 -3.133 -13.082 1.00 10.13 H new ATOM 0 HA ASP A 45 11.441 -0.406 -12.496 1.00 42.40 H new ATOM 0 HB2 ASP A 45 12.327 -1.468 -15.204 1.00 45.12 H new ATOM 0 HB3 ASP A 45 11.871 0.176 -14.807 1.00 45.12 H new ATOM 720 N SER A 46 10.152 -2.952 -14.135 1.00 73.30 N ATOM 721 CA SER A 46 8.899 -3.542 -14.592 1.00 52.12 C ATOM 722 C SER A 46 8.531 -4.758 -13.748 1.00 13.04 C ATOM 723 O SER A 46 9.397 -5.534 -13.343 1.00 3.32 O ATOM 724 CB SER A 46 9.007 -3.943 -16.065 1.00 32.24 C ATOM 725 OG SER A 46 7.887 -3.484 -16.802 1.00 30.23 O ATOM 0 H SER A 46 10.965 -3.561 -14.232 1.00 73.30 H new ATOM 0 HA SER A 46 8.113 -2.795 -14.483 1.00 52.12 H new ATOM 0 HB2 SER A 46 9.921 -3.530 -16.492 1.00 32.24 H new ATOM 0 HB3 SER A 46 9.080 -5.028 -16.145 1.00 32.24 H new ATOM 0 HG SER A 46 7.981 -3.751 -17.740 1.00 30.23 H new ATOM 731 N THR A 47 7.237 -4.919 -13.485 1.00 3.53 N ATOM 732 CA THR A 47 6.753 -6.038 -12.688 1.00 33.33 C ATOM 733 C THR A 47 6.803 -7.340 -13.480 1.00 50.41 C ATOM 734 O THR A 47 6.849 -8.426 -12.904 1.00 2.21 O ATOM 735 CB THR A 47 5.310 -5.801 -12.204 1.00 12.41 C ATOM 736 OG1 THR A 47 4.981 -4.411 -12.308 1.00 53.15 O ATOM 737 CG2 THR A 47 5.139 -6.260 -10.764 1.00 22.32 C ATOM 0 H THR A 47 6.506 -4.288 -13.813 1.00 3.53 H new ATOM 0 HA THR A 47 7.411 -6.116 -11.822 1.00 33.33 H new ATOM 0 HB THR A 47 4.639 -6.382 -12.836 1.00 12.41 H new ATOM 0 HG1 THR A 47 4.062 -4.269 -12.000 1.00 53.15 H new ATOM 0 HG21 THR A 47 4.112 -6.082 -10.445 1.00 22.32 H new ATOM 0 HG22 THR A 47 5.362 -7.325 -10.692 1.00 22.32 H new ATOM 0 HG23 THR A 47 5.820 -5.703 -10.121 1.00 22.32 H new ATOM 745 N GLU A 48 6.794 -7.222 -14.804 1.00 42.42 N ATOM 746 CA GLU A 48 6.839 -8.390 -15.675 1.00 32.41 C ATOM 747 C GLU A 48 8.167 -9.128 -15.528 1.00 35.11 C ATOM 748 O GLU A 48 8.194 -10.336 -15.296 1.00 31.31 O ATOM 749 CB GLU A 48 6.632 -7.976 -17.133 1.00 51.12 C ATOM 750 CG GLU A 48 6.157 -9.109 -18.027 1.00 34.34 C ATOM 751 CD GLU A 48 5.426 -8.613 -19.259 1.00 74.42 C ATOM 752 OE1 GLU A 48 6.103 -8.253 -20.245 1.00 12.02 O ATOM 753 OE2 GLU A 48 4.178 -8.585 -19.238 1.00 75.33 O ATOM 0 H GLU A 48 6.756 -6.330 -15.297 1.00 42.42 H new ATOM 0 HA GLU A 48 6.034 -9.063 -15.379 1.00 32.41 H new ATOM 0 HB2 GLU A 48 5.905 -7.165 -17.172 1.00 51.12 H new ATOM 0 HB3 GLU A 48 7.569 -7.583 -17.527 1.00 51.12 H new ATOM 0 HG2 GLU A 48 7.014 -9.708 -18.334 1.00 34.34 H new ATOM 0 HG3 GLU A 48 5.498 -9.764 -17.457 1.00 34.34 H new ATOM 760 N GLN A 49 9.264 -8.392 -15.665 1.00 43.55 N ATOM 761 CA GLN A 49 10.595 -8.976 -15.549 1.00 42.24 C ATOM 762 C GLN A 49 10.826 -9.531 -14.148 1.00 14.34 C ATOM 763 O GLN A 49 11.538 -10.519 -13.969 1.00 63.52 O ATOM 764 CB GLN A 49 11.664 -7.932 -15.880 1.00 32.42 C ATOM 765 CG GLN A 49 11.480 -6.618 -15.139 1.00 51.43 C ATOM 766 CD GLN A 49 12.724 -5.752 -15.168 1.00 64.43 C ATOM 767 OE1 GLN A 49 13.320 -5.611 -16.347 1.00 31.50 O flip ATOM 768 NE2 GLN A 49 13.146 -5.216 -14.143 1.00 24.55 N flip ATOM 0 H GLN A 49 9.258 -7.390 -15.856 1.00 43.55 H new ATOM 0 HA GLN A 49 10.667 -9.798 -16.262 1.00 42.24 H new ATOM 0 HB2 GLN A 49 12.646 -8.341 -15.640 1.00 32.42 H new ATOM 0 HB3 GLN A 49 11.652 -7.739 -16.953 1.00 32.42 H new ATOM 0 HG2 GLN A 49 10.649 -6.069 -15.582 1.00 51.43 H new ATOM 0 HG3 GLN A 49 11.210 -6.824 -14.103 1.00 51.43 H new ATOM 0 HE21 GLN A 49 12.657 -5.351 -13.258 1.00 24.55 H new ATOM 0 HE22 GLN A 49 13.985 -4.637 -14.179 1.00 24.55 H new ATOM 777 N LEU A 50 10.219 -8.889 -13.155 1.00 40.55 N ATOM 778 CA LEU A 50 10.358 -9.318 -11.768 1.00 42.32 C ATOM 779 C LEU A 50 9.977 -10.786 -11.612 1.00 35.25 C ATOM 780 O LEU A 50 10.805 -11.616 -11.238 1.00 41.24 O ATOM 781 CB LEU A 50 9.487 -8.452 -10.856 1.00 73.42 C ATOM 782 CG LEU A 50 9.232 -9.002 -9.452 1.00 44.11 C ATOM 783 CD1 LEU A 50 10.547 -9.337 -8.764 1.00 15.22 C ATOM 784 CD2 LEU A 50 8.434 -8.004 -8.625 1.00 63.24 C ATOM 0 H LEU A 50 9.626 -8.069 -13.285 1.00 40.55 H new ATOM 0 HA LEU A 50 11.403 -9.201 -11.480 1.00 42.32 H new ATOM 0 HB2 LEU A 50 9.956 -7.473 -10.761 1.00 73.42 H new ATOM 0 HB3 LEU A 50 8.525 -8.298 -11.345 1.00 73.42 H new ATOM 0 HG LEU A 50 8.648 -9.918 -9.541 1.00 44.11 H new ATOM 0 HD11 LEU A 50 10.347 -9.727 -7.766 1.00 15.22 H new ATOM 0 HD12 LEU A 50 11.081 -10.088 -9.346 1.00 15.22 H new ATOM 0 HD13 LEU A 50 11.156 -8.437 -8.686 1.00 15.22 H new ATOM 0 HD21 LEU A 50 8.262 -8.412 -7.629 1.00 63.24 H new ATOM 0 HD22 LEU A 50 8.991 -7.071 -8.543 1.00 63.24 H new ATOM 0 HD23 LEU A 50 7.476 -7.813 -9.109 1.00 63.24 H new ATOM 796 N GLU A 51 8.717 -11.099 -11.901 1.00 65.34 N ATOM 797 CA GLU A 51 8.227 -12.468 -11.794 1.00 24.43 C ATOM 798 C GLU A 51 9.027 -13.405 -12.695 1.00 21.14 C ATOM 799 O GLU A 51 9.249 -14.568 -12.358 1.00 71.20 O ATOM 800 CB GLU A 51 6.744 -12.533 -12.161 1.00 55.05 C ATOM 801 CG GLU A 51 5.899 -11.475 -11.472 1.00 11.13 C ATOM 802 CD GLU A 51 4.466 -11.921 -11.257 1.00 54.15 C ATOM 803 OE1 GLU A 51 4.187 -12.544 -10.212 1.00 4.13 O ATOM 804 OE2 GLU A 51 3.622 -11.646 -12.136 1.00 72.44 O ATOM 0 H GLU A 51 8.018 -10.423 -12.211 1.00 65.34 H new ATOM 0 HA GLU A 51 8.352 -12.791 -10.761 1.00 24.43 H new ATOM 0 HB2 GLU A 51 6.640 -12.422 -13.240 1.00 55.05 H new ATOM 0 HB3 GLU A 51 6.358 -13.519 -11.903 1.00 55.05 H new ATOM 0 HG2 GLU A 51 6.347 -11.228 -10.509 1.00 11.13 H new ATOM 0 HG3 GLU A 51 5.906 -10.564 -12.070 1.00 11.13 H new ATOM 811 N SER A 52 9.457 -12.889 -13.842 1.00 31.22 N ATOM 812 CA SER A 52 10.228 -13.680 -14.794 1.00 2.40 C ATOM 813 C SER A 52 11.534 -14.162 -14.168 1.00 54.35 C ATOM 814 O SER A 52 11.902 -15.329 -14.296 1.00 74.44 O ATOM 815 CB SER A 52 10.524 -12.858 -16.050 1.00 3.42 C ATOM 816 OG SER A 52 10.654 -13.693 -17.187 1.00 55.33 O ATOM 0 H SER A 52 9.285 -11.927 -14.134 1.00 31.22 H new ATOM 0 HA SER A 52 9.634 -14.551 -15.070 1.00 2.40 H new ATOM 0 HB2 SER A 52 9.723 -12.137 -16.214 1.00 3.42 H new ATOM 0 HB3 SER A 52 11.442 -12.287 -15.907 1.00 3.42 H new ATOM 0 HG SER A 52 10.841 -13.144 -17.977 1.00 55.33 H new ATOM 822 N TRP A 53 12.228 -13.254 -13.492 1.00 64.13 N ATOM 823 CA TRP A 53 13.493 -13.586 -12.846 1.00 43.23 C ATOM 824 C TRP A 53 13.344 -14.813 -11.954 1.00 74.13 C ATOM 825 O TRP A 53 14.087 -15.785 -12.090 1.00 31.34 O ATOM 826 CB TRP A 53 13.995 -12.399 -12.022 1.00 61.00 C ATOM 827 CG TRP A 53 14.850 -12.803 -10.859 1.00 42.31 C ATOM 828 CD1 TRP A 53 14.684 -12.437 -9.554 1.00 31.32 C ATOM 829 CD2 TRP A 53 16.006 -13.647 -10.897 1.00 74.34 C ATOM 830 NE1 TRP A 53 15.667 -13.004 -8.778 1.00 54.12 N ATOM 831 CE2 TRP A 53 16.489 -13.751 -9.579 1.00 23.55 C ATOM 832 CE3 TRP A 53 16.677 -14.327 -11.917 1.00 24.22 C ATOM 833 CZ2 TRP A 53 17.614 -14.507 -9.256 1.00 15.12 C ATOM 834 CZ3 TRP A 53 17.793 -15.076 -11.595 1.00 22.21 C ATOM 835 CH2 TRP A 53 18.252 -15.162 -10.274 1.00 11.04 C ATOM 0 H TRP A 53 11.937 -12.283 -13.377 1.00 64.13 H new ATOM 0 HA TRP A 53 14.221 -13.813 -13.625 1.00 43.23 H new ATOM 0 HB2 TRP A 53 14.565 -11.732 -12.669 1.00 61.00 H new ATOM 0 HB3 TRP A 53 13.139 -11.832 -11.655 1.00 61.00 H new ATOM 0 HD1 TRP A 53 13.896 -11.796 -9.186 1.00 31.32 H new ATOM 0 HE1 TRP A 53 15.768 -12.887 -7.770 1.00 54.12 H new ATOM 0 HE3 TRP A 53 16.330 -14.268 -12.938 1.00 24.22 H new ATOM 0 HZ2 TRP A 53 17.970 -14.574 -8.238 1.00 15.12 H new ATOM 0 HZ3 TRP A 53 18.321 -15.604 -12.375 1.00 22.21 H new ATOM 0 HH2 TRP A 53 19.126 -15.757 -10.055 1.00 11.04 H new ATOM 846 N PHE A 54 12.378 -14.762 -11.042 1.00 63.44 N ATOM 847 CA PHE A 54 12.132 -15.871 -10.127 1.00 41.22 C ATOM 848 C PHE A 54 11.430 -17.021 -10.843 1.00 32.13 C ATOM 849 O PHE A 54 11.235 -18.095 -10.272 1.00 54.43 O ATOM 850 CB PHE A 54 11.288 -15.402 -8.940 1.00 72.14 C ATOM 851 CG PHE A 54 11.041 -16.476 -7.919 1.00 40.42 C ATOM 852 CD1 PHE A 54 12.004 -16.784 -6.972 1.00 43.30 C ATOM 853 CD2 PHE A 54 9.846 -17.176 -7.906 1.00 72.22 C ATOM 854 CE1 PHE A 54 11.780 -17.772 -6.032 1.00 11.51 C ATOM 855 CE2 PHE A 54 9.616 -18.165 -6.968 1.00 54.01 C ATOM 856 CZ PHE A 54 10.584 -18.462 -6.029 1.00 73.21 C ATOM 0 H PHE A 54 11.753 -13.965 -10.917 1.00 63.44 H new ATOM 0 HA PHE A 54 13.094 -16.228 -9.761 1.00 41.22 H new ATOM 0 HB2 PHE A 54 11.788 -14.562 -8.458 1.00 72.14 H new ATOM 0 HB3 PHE A 54 10.330 -15.034 -9.308 1.00 72.14 H new ATOM 0 HD1 PHE A 54 12.940 -16.246 -6.968 1.00 43.30 H new ATOM 0 HD2 PHE A 54 9.085 -16.947 -8.637 1.00 72.22 H new ATOM 0 HE1 PHE A 54 12.540 -18.004 -5.300 1.00 11.51 H new ATOM 0 HE2 PHE A 54 8.681 -18.705 -6.970 1.00 54.01 H new ATOM 0 HZ PHE A 54 10.406 -19.233 -5.294 1.00 73.21 H new ATOM 866 N TYR A 55 11.052 -16.788 -12.095 1.00 22.32 N ATOM 867 CA TYR A 55 10.369 -17.803 -12.888 1.00 52.02 C ATOM 868 C TYR A 55 11.252 -18.283 -14.036 1.00 31.33 C ATOM 869 O TYR A 55 11.229 -17.720 -15.129 1.00 62.44 O ATOM 870 CB TYR A 55 9.054 -17.249 -13.439 1.00 73.32 C ATOM 871 CG TYR A 55 8.399 -18.150 -14.462 1.00 51.22 C ATOM 872 CD1 TYR A 55 8.606 -19.524 -14.441 1.00 44.41 C ATOM 873 CD2 TYR A 55 7.574 -17.627 -15.450 1.00 71.13 C ATOM 874 CE1 TYR A 55 8.011 -20.350 -15.374 1.00 71.31 C ATOM 875 CE2 TYR A 55 6.973 -18.446 -16.386 1.00 61.33 C ATOM 876 CZ TYR A 55 7.195 -19.807 -16.344 1.00 72.13 C ATOM 877 OH TYR A 55 6.599 -20.626 -17.276 1.00 23.32 O ATOM 0 H TYR A 55 11.207 -15.905 -12.582 1.00 22.32 H new ATOM 0 HA TYR A 55 10.155 -18.652 -12.239 1.00 52.02 H new ATOM 0 HB2 TYR A 55 8.362 -17.089 -12.612 1.00 73.32 H new ATOM 0 HB3 TYR A 55 9.241 -16.275 -13.891 1.00 73.32 H new ATOM 0 HD1 TYR A 55 9.243 -19.953 -13.682 1.00 44.41 H new ATOM 0 HD2 TYR A 55 7.400 -16.562 -15.487 1.00 71.13 H new ATOM 0 HE1 TYR A 55 8.184 -21.416 -15.344 1.00 71.31 H new ATOM 0 HE2 TYR A 55 6.333 -18.023 -17.146 1.00 61.33 H new ATOM 0 HH TYR A 55 6.056 -20.085 -17.887 1.00 23.32 H new ATOM 887 N GLY A 56 12.030 -19.330 -13.777 1.00 61.00 N ATOM 888 CA GLY A 56 12.910 -19.870 -14.797 1.00 21.22 C ATOM 889 C GLY A 56 14.219 -20.378 -14.224 1.00 55.40 C ATOM 890 O GLY A 56 14.984 -21.055 -14.911 1.00 22.43 O ATOM 0 H GLY A 56 12.066 -19.813 -12.880 1.00 61.00 H new ATOM 0 HA2 GLY A 56 12.404 -20.684 -15.315 1.00 21.22 H new ATOM 0 HA3 GLY A 56 13.117 -19.099 -15.539 1.00 21.22 H new ATOM 894 N LEU A 57 14.478 -20.048 -12.963 1.00 73.54 N ATOM 895 CA LEU A 57 15.704 -20.474 -12.298 1.00 63.22 C ATOM 896 C LEU A 57 15.853 -21.991 -12.349 1.00 62.34 C ATOM 897 O LEU A 57 14.881 -22.730 -12.509 1.00 22.14 O ATOM 898 CB LEU A 57 15.711 -19.998 -10.844 1.00 72.44 C ATOM 899 CG LEU A 57 16.088 -18.534 -10.619 1.00 55.32 C ATOM 900 CD1 LEU A 57 15.329 -17.964 -9.431 1.00 31.15 C ATOM 901 CD2 LEU A 57 17.589 -18.395 -10.412 1.00 52.23 C ATOM 0 H LEU A 57 13.856 -19.487 -12.381 1.00 73.54 H new ATOM 0 HA LEU A 57 16.547 -20.027 -12.824 1.00 63.22 H new ATOM 0 HB2 LEU A 57 14.720 -20.166 -10.423 1.00 72.44 H new ATOM 0 HB3 LEU A 57 16.406 -20.622 -10.282 1.00 72.44 H new ATOM 0 HG LEU A 57 15.810 -17.967 -11.507 1.00 55.32 H new ATOM 0 HD11 LEU A 57 15.610 -16.921 -9.286 1.00 31.15 H new ATOM 0 HD12 LEU A 57 14.257 -18.028 -9.619 1.00 31.15 H new ATOM 0 HD13 LEU A 57 15.575 -18.534 -8.535 1.00 31.15 H new ATOM 0 HD21 LEU A 57 17.839 -17.346 -10.253 1.00 52.23 H new ATOM 0 HD22 LEU A 57 17.891 -18.976 -9.541 1.00 52.23 H new ATOM 0 HD23 LEU A 57 18.114 -18.764 -11.294 1.00 52.23 H new ATOM 913 N PRO A 58 17.099 -22.469 -12.209 1.00 53.04 N ATOM 914 CA PRO A 58 17.404 -23.903 -12.234 1.00 1.55 C ATOM 915 C PRO A 58 16.882 -24.627 -10.998 1.00 21.34 C ATOM 916 O PRO A 58 16.916 -25.855 -10.926 1.00 12.05 O ATOM 917 CB PRO A 58 18.934 -23.939 -12.268 1.00 40.33 C ATOM 918 CG PRO A 58 19.358 -22.654 -11.645 1.00 14.31 C ATOM 919 CD PRO A 58 18.305 -21.646 -12.016 1.00 73.42 C ATOM 0 HA PRO A 58 16.933 -24.406 -13.079 1.00 1.55 H new ATOM 0 HB2 PRO A 58 19.322 -24.794 -11.715 1.00 40.33 H new ATOM 0 HB3 PRO A 58 19.305 -24.025 -13.289 1.00 40.33 H new ATOM 0 HG2 PRO A 58 19.439 -22.753 -10.563 1.00 14.31 H new ATOM 0 HG3 PRO A 58 20.338 -22.347 -12.011 1.00 14.31 H new ATOM 0 HD2 PRO A 58 18.164 -20.904 -11.230 1.00 73.42 H new ATOM 0 HD3 PRO A 58 18.570 -21.103 -12.923 1.00 73.42 H new ATOM 927 N GLY A 59 16.399 -23.859 -10.026 1.00 51.32 N ATOM 928 CA GLY A 59 15.876 -24.446 -8.806 1.00 42.23 C ATOM 929 C GLY A 59 14.390 -24.733 -8.891 1.00 43.23 C ATOM 930 O GLY A 59 13.642 -23.988 -9.524 1.00 44.42 O ATOM 0 H GLY A 59 16.361 -22.840 -10.062 1.00 51.32 H new ATOM 0 HA2 GLY A 59 16.410 -25.372 -8.594 1.00 42.23 H new ATOM 0 HA3 GLY A 59 16.065 -23.771 -7.971 1.00 42.23 H new ATOM 934 N SER A 60 13.961 -25.817 -8.254 1.00 21.33 N ATOM 935 CA SER A 60 12.555 -26.204 -8.265 1.00 23.34 C ATOM 936 C SER A 60 11.941 -26.061 -6.875 1.00 44.33 C ATOM 937 O SER A 60 12.637 -26.149 -5.865 1.00 23.53 O ATOM 938 CB SER A 60 12.405 -27.646 -8.754 1.00 41.14 C ATOM 939 OG SER A 60 13.395 -28.484 -8.184 1.00 22.00 O ATOM 0 H SER A 60 14.567 -26.443 -7.724 1.00 21.33 H new ATOM 0 HA SER A 60 12.026 -25.539 -8.948 1.00 23.34 H new ATOM 0 HB2 SER A 60 11.415 -28.020 -8.495 1.00 41.14 H new ATOM 0 HB3 SER A 60 12.482 -27.674 -9.841 1.00 41.14 H new ATOM 0 HG SER A 60 13.276 -29.400 -8.511 1.00 22.00 H new ATOM 945 N GLY A 61 10.631 -25.838 -6.834 1.00 42.31 N ATOM 946 CA GLY A 61 9.944 -25.685 -5.565 1.00 3.11 C ATOM 947 C GLY A 61 10.608 -24.661 -4.666 1.00 40.51 C ATOM 948 O GLY A 61 10.968 -23.571 -5.114 1.00 64.10 O ATOM 0 H GLY A 61 10.033 -25.761 -7.657 1.00 42.31 H new ATOM 0 HA2 GLY A 61 8.911 -25.388 -5.748 1.00 3.11 H new ATOM 0 HA3 GLY A 61 9.913 -26.647 -5.054 1.00 3.11 H new ATOM 952 N LEU A 62 10.769 -25.008 -3.394 1.00 61.01 N ATOM 953 CA LEU A 62 11.393 -24.110 -2.429 1.00 13.44 C ATOM 954 C LEU A 62 12.913 -24.154 -2.546 1.00 71.14 C ATOM 955 O LEU A 62 13.622 -23.456 -1.823 1.00 64.31 O ATOM 956 CB LEU A 62 10.969 -24.483 -1.007 1.00 72.11 C ATOM 957 CG LEU A 62 9.550 -25.033 -0.852 1.00 43.42 C ATOM 958 CD1 LEU A 62 9.583 -26.532 -0.597 1.00 45.53 C ATOM 959 CD2 LEU A 62 8.820 -24.314 0.273 1.00 21.53 C ATOM 0 H LEU A 62 10.476 -25.905 -3.007 1.00 61.01 H new ATOM 0 HA LEU A 62 11.060 -23.095 -2.647 1.00 13.44 H new ATOM 0 HB2 LEU A 62 11.669 -25.226 -0.624 1.00 72.11 H new ATOM 0 HB3 LEU A 62 11.065 -23.599 -0.377 1.00 72.11 H new ATOM 0 HG LEU A 62 9.008 -24.856 -1.781 1.00 43.42 H new ATOM 0 HD11 LEU A 62 8.565 -26.905 -0.489 1.00 45.53 H new ATOM 0 HD12 LEU A 62 10.066 -27.033 -1.436 1.00 45.53 H new ATOM 0 HD13 LEU A 62 10.142 -26.733 0.317 1.00 45.53 H new ATOM 0 HD21 LEU A 62 7.812 -24.718 0.369 1.00 21.53 H new ATOM 0 HD22 LEU A 62 9.360 -24.459 1.209 1.00 21.53 H new ATOM 0 HD23 LEU A 62 8.764 -23.249 0.048 1.00 21.53 H new ATOM 971 N GLY A 63 13.406 -24.979 -3.465 1.00 44.44 N ATOM 972 CA GLY A 63 14.839 -25.097 -3.663 1.00 23.12 C ATOM 973 C GLY A 63 15.448 -23.843 -4.259 1.00 20.41 C ATOM 974 O GLY A 63 16.516 -23.401 -3.834 1.00 73.44 O ATOM 0 H GLY A 63 12.839 -25.567 -4.076 1.00 44.44 H new ATOM 0 HA2 GLY A 63 15.318 -25.311 -2.708 1.00 23.12 H new ATOM 0 HA3 GLY A 63 15.043 -25.943 -4.319 1.00 23.12 H new ATOM 978 N ARG A 64 14.769 -23.270 -5.247 1.00 12.32 N ATOM 979 CA ARG A 64 15.251 -22.061 -5.904 1.00 71.12 C ATOM 980 C ARG A 64 15.379 -20.914 -4.906 1.00 42.35 C ATOM 981 O ARG A 64 16.128 -19.963 -5.132 1.00 45.01 O ATOM 982 CB ARG A 64 14.306 -21.661 -7.039 1.00 44.12 C ATOM 983 CG ARG A 64 13.053 -20.944 -6.564 1.00 70.23 C ATOM 984 CD ARG A 64 12.057 -20.753 -7.698 1.00 22.24 C ATOM 985 NE ARG A 64 10.732 -21.261 -7.353 1.00 52.40 N ATOM 986 CZ ARG A 64 9.741 -21.384 -8.230 1.00 25.24 C ATOM 987 NH1 ARG A 64 9.926 -21.039 -9.496 1.00 61.55 N ATOM 988 NH2 ARG A 64 8.563 -21.854 -7.840 1.00 24.14 N ATOM 0 H ARG A 64 13.884 -23.623 -5.610 1.00 12.32 H new ATOM 0 HA ARG A 64 16.237 -22.271 -6.318 1.00 71.12 H new ATOM 0 HB2 ARG A 64 14.841 -21.016 -7.736 1.00 44.12 H new ATOM 0 HB3 ARG A 64 14.016 -22.555 -7.591 1.00 44.12 H new ATOM 0 HG2 ARG A 64 12.587 -21.516 -5.762 1.00 70.23 H new ATOM 0 HG3 ARG A 64 13.323 -19.973 -6.148 1.00 70.23 H new ATOM 0 HD2 ARG A 64 11.986 -19.693 -7.944 1.00 22.24 H new ATOM 0 HD3 ARG A 64 12.420 -21.264 -8.590 1.00 22.24 H new ATOM 0 HE ARG A 64 10.558 -21.536 -6.386 1.00 52.40 H new ATOM 0 HH11 ARG A 64 10.831 -20.678 -9.799 1.00 61.55 H new ATOM 0 HH12 ARG A 64 9.164 -21.134 -10.167 1.00 61.55 H new ATOM 0 HH21 ARG A 64 8.417 -22.121 -6.866 1.00 24.14 H new ATOM 0 HH22 ARG A 64 7.803 -21.948 -8.514 1.00 24.14 H new ATOM 1002 N ILE A 65 14.643 -21.010 -3.804 1.00 42.14 N ATOM 1003 CA ILE A 65 14.675 -19.981 -2.773 1.00 4.23 C ATOM 1004 C ILE A 65 16.108 -19.659 -2.361 1.00 62.43 C ATOM 1005 O ILE A 65 16.413 -18.534 -1.968 1.00 64.13 O ATOM 1006 CB ILE A 65 13.879 -20.408 -1.526 1.00 31.52 C ATOM 1007 CG1 ILE A 65 12.395 -20.555 -1.867 1.00 54.53 C ATOM 1008 CG2 ILE A 65 14.073 -19.401 -0.402 1.00 71.32 C ATOM 1009 CD1 ILE A 65 11.474 -20.229 -0.712 1.00 51.11 C ATOM 0 H ILE A 65 14.017 -21.790 -3.602 1.00 42.14 H new ATOM 0 HA ILE A 65 14.214 -19.091 -3.202 1.00 4.23 H new ATOM 0 HB ILE A 65 14.252 -21.375 -1.189 1.00 31.52 H new ATOM 0 HG12 ILE A 65 12.157 -19.902 -2.706 1.00 54.53 H new ATOM 0 HG13 ILE A 65 12.205 -21.577 -2.195 1.00 54.53 H new ATOM 0 HG21 ILE A 65 13.504 -19.717 0.472 1.00 71.32 H new ATOM 0 HG22 ILE A 65 15.131 -19.342 -0.145 1.00 71.32 H new ATOM 0 HG23 ILE A 65 13.724 -18.421 -0.727 1.00 71.32 H new ATOM 0 HD11 ILE A 65 10.438 -20.355 -1.026 1.00 51.11 H new ATOM 0 HD12 ILE A 65 11.684 -20.899 0.121 1.00 51.11 H new ATOM 0 HD13 ILE A 65 11.635 -19.198 -0.398 1.00 51.11 H new ATOM 1021 N GLU A 66 16.983 -20.656 -2.457 1.00 1.24 N ATOM 1022 CA GLU A 66 18.385 -20.478 -2.095 1.00 15.00 C ATOM 1023 C GLU A 66 19.168 -19.852 -3.245 1.00 61.33 C ATOM 1024 O GLU A 66 20.119 -19.103 -3.027 1.00 51.12 O ATOM 1025 CB GLU A 66 19.009 -21.820 -1.709 1.00 31.51 C ATOM 1026 CG GLU A 66 19.309 -22.717 -2.899 1.00 1.25 C ATOM 1027 CD GLU A 66 19.184 -24.191 -2.565 1.00 13.41 C ATOM 1028 OE1 GLU A 66 19.134 -24.525 -1.363 1.00 23.40 O ATOM 1029 OE2 GLU A 66 19.135 -25.009 -3.507 1.00 33.42 O ATOM 0 H GLU A 66 16.746 -21.594 -2.782 1.00 1.24 H new ATOM 0 HA GLU A 66 18.430 -19.805 -1.239 1.00 15.00 H new ATOM 0 HB2 GLU A 66 19.933 -21.637 -1.161 1.00 31.51 H new ATOM 0 HB3 GLU A 66 18.334 -22.343 -1.031 1.00 31.51 H new ATOM 0 HG2 GLU A 66 18.627 -22.474 -3.714 1.00 1.25 H new ATOM 0 HG3 GLU A 66 20.318 -22.514 -3.257 1.00 1.25 H new ATOM 1036 N ASN A 67 18.761 -20.167 -4.471 1.00 1.12 N ATOM 1037 CA ASN A 67 19.425 -19.637 -5.656 1.00 61.03 C ATOM 1038 C ASN A 67 19.030 -18.183 -5.897 1.00 24.04 C ATOM 1039 O ASN A 67 19.886 -17.301 -5.971 1.00 73.42 O ATOM 1040 CB ASN A 67 19.075 -20.482 -6.883 1.00 52.30 C ATOM 1041 CG ASN A 67 19.875 -21.768 -6.947 1.00 20.32 C ATOM 1042 OD1 ASN A 67 21.054 -21.797 -6.592 1.00 73.44 O ATOM 1043 ND2 ASN A 67 19.236 -22.840 -7.401 1.00 22.44 N ATOM 0 H ASN A 67 17.975 -20.786 -4.669 1.00 1.12 H new ATOM 0 HA ASN A 67 20.501 -19.680 -5.488 1.00 61.03 H new ATOM 0 HB2 ASN A 67 18.011 -20.720 -6.866 1.00 52.30 H new ATOM 0 HB3 ASN A 67 19.257 -19.899 -7.786 1.00 52.30 H new ATOM 0 HD21 ASN A 67 19.723 -23.734 -7.467 1.00 22.44 H new ATOM 0 HD22 ASN A 67 18.259 -22.769 -7.684 1.00 22.44 H new ATOM 1050 N ALA A 68 17.729 -17.941 -6.016 1.00 42.24 N ATOM 1051 CA ALA A 68 17.221 -16.594 -6.245 1.00 73.14 C ATOM 1052 C ALA A 68 17.687 -15.638 -5.153 1.00 32.14 C ATOM 1053 O ALA A 68 18.286 -14.601 -5.436 1.00 60.43 O ATOM 1054 CB ALA A 68 15.701 -16.610 -6.323 1.00 3.21 C ATOM 0 H ALA A 68 17.008 -18.660 -5.958 1.00 42.24 H new ATOM 0 HA ALA A 68 17.619 -16.239 -7.195 1.00 73.14 H new ATOM 0 HB1 ALA A 68 15.335 -15.598 -6.494 1.00 3.21 H new ATOM 0 HB2 ALA A 68 15.386 -17.254 -7.144 1.00 3.21 H new ATOM 0 HB3 ALA A 68 15.293 -16.990 -5.387 1.00 3.21 H new ATOM 1060 N MET A 69 17.407 -15.994 -3.903 1.00 51.40 N ATOM 1061 CA MET A 69 17.799 -15.166 -2.768 1.00 35.43 C ATOM 1062 C MET A 69 19.289 -14.845 -2.818 1.00 12.23 C ATOM 1063 O MET A 69 19.689 -13.691 -2.669 1.00 24.34 O ATOM 1064 CB MET A 69 17.461 -15.874 -1.454 1.00 3.44 C ATOM 1065 CG MET A 69 17.979 -15.147 -0.223 1.00 34.45 C ATOM 1066 SD MET A 69 19.064 -16.175 0.785 1.00 20.55 S ATOM 1067 CE MET A 69 17.892 -17.356 1.449 1.00 12.14 C ATOM 0 H MET A 69 16.911 -16.849 -3.651 1.00 51.40 H new ATOM 0 HA MET A 69 17.243 -14.230 -2.822 1.00 35.43 H new ATOM 0 HB2 MET A 69 16.379 -15.980 -1.375 1.00 3.44 H new ATOM 0 HB3 MET A 69 17.879 -16.880 -1.475 1.00 3.44 H new ATOM 0 HG2 MET A 69 18.518 -14.252 -0.534 1.00 34.45 H new ATOM 0 HG3 MET A 69 17.134 -14.816 0.381 1.00 34.45 H new ATOM 0 HE1 MET A 69 18.325 -17.849 2.319 1.00 12.14 H new ATOM 0 HE2 MET A 69 16.979 -16.837 1.743 1.00 12.14 H new ATOM 0 HE3 MET A 69 17.657 -18.102 0.690 1.00 12.14 H new ATOM 1077 N ASN A 70 20.105 -15.873 -3.028 1.00 53.42 N ATOM 1078 CA ASN A 70 21.551 -15.699 -3.097 1.00 1.31 C ATOM 1079 C ASN A 70 21.932 -14.755 -4.233 1.00 41.33 C ATOM 1080 O ASN A 70 23.027 -14.193 -4.245 1.00 52.04 O ATOM 1081 CB ASN A 70 22.240 -17.051 -3.290 1.00 33.32 C ATOM 1082 CG ASN A 70 23.752 -16.936 -3.284 1.00 31.20 C ATOM 1083 OD1 ASN A 70 24.404 -17.127 -4.311 1.00 30.14 O ATOM 1084 ND2 ASN A 70 24.317 -16.623 -2.124 1.00 13.13 N ATOM 0 H ASN A 70 19.789 -16.835 -3.153 1.00 53.42 H new ATOM 0 HA ASN A 70 21.884 -15.260 -2.156 1.00 1.31 H new ATOM 0 HB2 ASN A 70 21.927 -17.731 -2.498 1.00 33.32 H new ATOM 0 HB3 ASN A 70 21.916 -17.490 -4.234 1.00 33.32 H new ATOM 0 HD21 ASN A 70 25.331 -16.532 -2.059 1.00 13.13 H new ATOM 0 HD22 ASN A 70 23.737 -16.474 -1.298 1.00 13.13 H new ATOM 1091 N GLU A 71 21.020 -14.586 -5.186 1.00 3.42 N ATOM 1092 CA GLU A 71 21.262 -13.710 -6.326 1.00 54.34 C ATOM 1093 C GLU A 71 20.868 -12.272 -6.001 1.00 52.21 C ATOM 1094 O GLU A 71 21.592 -11.330 -6.326 1.00 21.32 O ATOM 1095 CB GLU A 71 20.481 -14.200 -7.548 1.00 44.20 C ATOM 1096 CG GLU A 71 21.295 -14.196 -8.831 1.00 53.25 C ATOM 1097 CD GLU A 71 22.594 -14.966 -8.701 1.00 22.20 C ATOM 1098 OE1 GLU A 71 22.536 -16.205 -8.549 1.00 43.40 O ATOM 1099 OE2 GLU A 71 23.668 -14.332 -8.751 1.00 4.45 O ATOM 0 H GLU A 71 20.108 -15.044 -5.191 1.00 3.42 H new ATOM 0 HA GLU A 71 22.328 -13.734 -6.550 1.00 54.34 H new ATOM 0 HB2 GLU A 71 20.122 -15.212 -7.358 1.00 44.20 H new ATOM 0 HB3 GLU A 71 19.602 -13.570 -7.683 1.00 44.20 H new ATOM 0 HG2 GLU A 71 20.700 -14.628 -9.635 1.00 53.25 H new ATOM 0 HG3 GLU A 71 21.514 -13.167 -9.114 1.00 53.25 H new ATOM 1106 N ILE A 72 19.716 -12.111 -5.359 1.00 12.02 N ATOM 1107 CA ILE A 72 19.226 -10.789 -4.989 1.00 51.12 C ATOM 1108 C ILE A 72 19.988 -10.236 -3.790 1.00 2.40 C ATOM 1109 O ILE A 72 20.033 -9.024 -3.575 1.00 34.54 O ATOM 1110 CB ILE A 72 17.722 -10.818 -4.658 1.00 60.02 C ATOM 1111 CG1 ILE A 72 16.922 -11.319 -5.862 1.00 62.44 C ATOM 1112 CG2 ILE A 72 17.245 -9.436 -4.237 1.00 45.13 C ATOM 1113 CD1 ILE A 72 17.101 -10.471 -7.102 1.00 34.00 C ATOM 0 H ILE A 72 19.104 -12.880 -5.084 1.00 12.02 H new ATOM 0 HA ILE A 72 19.388 -10.140 -5.850 1.00 51.12 H new ATOM 0 HB ILE A 72 17.562 -11.505 -3.827 1.00 60.02 H new ATOM 0 HG12 ILE A 72 17.221 -12.343 -6.086 1.00 62.44 H new ATOM 0 HG13 ILE A 72 15.864 -11.346 -5.600 1.00 62.44 H new ATOM 0 HG21 ILE A 72 16.180 -9.473 -4.006 1.00 45.13 H new ATOM 0 HG22 ILE A 72 17.797 -9.114 -3.354 1.00 45.13 H new ATOM 0 HG23 ILE A 72 17.416 -8.729 -5.049 1.00 45.13 H new ATOM 0 HD11 ILE A 72 16.505 -10.885 -7.915 1.00 34.00 H new ATOM 0 HD12 ILE A 72 16.775 -9.452 -6.896 1.00 34.00 H new ATOM 0 HD13 ILE A 72 18.152 -10.464 -7.390 1.00 34.00 H new ATOM 1125 N SER A 73 20.589 -11.131 -3.013 1.00 32.31 N ATOM 1126 CA SER A 73 21.349 -10.733 -1.834 1.00 35.24 C ATOM 1127 C SER A 73 22.701 -10.150 -2.230 1.00 43.23 C ATOM 1128 O SER A 73 23.343 -9.451 -1.445 1.00 74.22 O ATOM 1129 CB SER A 73 21.550 -11.930 -0.903 1.00 30.44 C ATOM 1130 OG SER A 73 21.787 -11.507 0.429 1.00 51.22 O ATOM 0 H SER A 73 20.564 -12.137 -3.179 1.00 32.31 H new ATOM 0 HA SER A 73 20.782 -9.964 -1.309 1.00 35.24 H new ATOM 0 HB2 SER A 73 20.668 -12.570 -0.933 1.00 30.44 H new ATOM 0 HB3 SER A 73 22.391 -12.529 -1.252 1.00 30.44 H new ATOM 0 HG SER A 73 22.357 -10.710 0.423 1.00 51.22 H new ATOM 1136 N ARG A 74 23.129 -10.442 -3.454 1.00 55.14 N ATOM 1137 CA ARG A 74 24.405 -9.948 -3.956 1.00 62.11 C ATOM 1138 C ARG A 74 24.518 -8.439 -3.763 1.00 2.33 C ATOM 1139 O ARG A 74 25.503 -7.946 -3.212 1.00 15.44 O ATOM 1140 CB ARG A 74 24.565 -10.297 -5.437 1.00 54.51 C ATOM 1141 CG ARG A 74 24.741 -11.784 -5.697 1.00 42.44 C ATOM 1142 CD ARG A 74 26.202 -12.196 -5.604 1.00 50.21 C ATOM 1143 NE ARG A 74 27.036 -11.479 -6.565 1.00 55.42 N ATOM 1144 CZ ARG A 74 28.362 -11.451 -6.510 1.00 44.43 C ATOM 1145 NH1 ARG A 74 29.003 -12.097 -5.546 1.00 1.41 N ATOM 1146 NH2 ARG A 74 29.051 -10.776 -7.422 1.00 3.43 N ATOM 0 H ARG A 74 22.610 -11.019 -4.116 1.00 55.14 H new ATOM 0 HA ARG A 74 25.201 -10.430 -3.388 1.00 62.11 H new ATOM 0 HB2 ARG A 74 23.690 -9.943 -5.982 1.00 54.51 H new ATOM 0 HB3 ARG A 74 25.427 -9.762 -5.836 1.00 54.51 H new ATOM 0 HG2 ARG A 74 24.155 -12.353 -4.975 1.00 42.44 H new ATOM 0 HG3 ARG A 74 24.355 -12.030 -6.686 1.00 42.44 H new ATOM 0 HD2 ARG A 74 26.568 -12.007 -4.595 1.00 50.21 H new ATOM 0 HD3 ARG A 74 26.288 -13.268 -5.779 1.00 50.21 H new ATOM 0 HE ARG A 74 26.574 -10.972 -7.320 1.00 55.42 H new ATOM 0 HH11 ARG A 74 28.477 -12.617 -4.844 1.00 1.41 H new ATOM 0 HH12 ARG A 74 30.022 -12.074 -5.506 1.00 1.41 H new ATOM 0 HH21 ARG A 74 28.562 -10.278 -8.166 1.00 3.43 H new ATOM 0 HH22 ARG A 74 30.070 -10.755 -7.379 1.00 3.43 H new ATOM 1160 N ARG A 75 23.505 -7.711 -4.220 1.00 75.22 N ATOM 1161 CA ARG A 75 23.491 -6.258 -4.099 1.00 70.41 C ATOM 1162 C ARG A 75 23.105 -5.834 -2.685 1.00 22.20 C ATOM 1163 O ARG A 75 22.061 -6.234 -2.171 1.00 2.44 O ATOM 1164 CB ARG A 75 22.516 -5.650 -5.109 1.00 63.22 C ATOM 1165 CG ARG A 75 23.090 -5.527 -6.511 1.00 43.32 C ATOM 1166 CD ARG A 75 24.137 -4.426 -6.590 1.00 31.43 C ATOM 1167 NE ARG A 75 25.088 -4.652 -7.674 1.00 65.43 N ATOM 1168 CZ ARG A 75 26.274 -4.057 -7.748 1.00 31.52 C ATOM 1169 NH1 ARG A 75 26.651 -3.206 -6.805 1.00 4.43 N ATOM 1170 NH2 ARG A 75 27.085 -4.315 -8.766 1.00 54.23 N ATOM 0 H ARG A 75 22.682 -8.104 -4.678 1.00 75.22 H new ATOM 0 HA ARG A 75 24.496 -5.891 -4.308 1.00 70.41 H new ATOM 0 HB2 ARG A 75 21.616 -6.263 -5.147 1.00 63.22 H new ATOM 0 HB3 ARG A 75 22.215 -4.662 -4.761 1.00 63.22 H new ATOM 0 HG2 ARG A 75 23.536 -6.476 -6.807 1.00 43.32 H new ATOM 0 HG3 ARG A 75 22.287 -5.318 -7.217 1.00 43.32 H new ATOM 0 HD2 ARG A 75 23.643 -3.466 -6.736 1.00 31.43 H new ATOM 0 HD3 ARG A 75 24.674 -4.368 -5.643 1.00 31.43 H new ATOM 0 HE ARG A 75 24.828 -5.302 -8.415 1.00 65.43 H new ATOM 0 HH11 ARG A 75 26.031 -3.007 -6.020 1.00 4.43 H new ATOM 0 HH12 ARG A 75 27.562 -2.750 -6.864 1.00 4.43 H new ATOM 0 HH21 ARG A 75 26.798 -4.971 -9.493 1.00 54.23 H new ATOM 0 HH22 ARG A 75 27.995 -3.858 -8.822 1.00 54.23 H new ATOM 1184 N GLU A 76 23.956 -5.023 -2.063 1.00 74.50 N ATOM 1185 CA GLU A 76 23.703 -4.547 -0.708 1.00 64.01 C ATOM 1186 C GLU A 76 23.810 -3.026 -0.638 1.00 20.45 C ATOM 1187 O GLU A 76 24.900 -2.465 -0.737 1.00 50.14 O ATOM 1188 CB GLU A 76 24.690 -5.184 0.272 1.00 21.53 C ATOM 1189 CG GLU A 76 24.182 -5.230 1.704 1.00 44.33 C ATOM 1190 CD GLU A 76 22.958 -6.110 1.861 1.00 71.11 C ATOM 1191 OE1 GLU A 76 22.694 -6.926 0.953 1.00 63.21 O ATOM 1192 OE2 GLU A 76 22.263 -5.983 2.891 1.00 64.23 O ATOM 0 H GLU A 76 24.825 -4.683 -2.475 1.00 74.50 H new ATOM 0 HA GLU A 76 22.689 -4.836 -0.431 1.00 64.01 H new ATOM 0 HB2 GLU A 76 24.913 -6.199 -0.058 1.00 21.53 H new ATOM 0 HB3 GLU A 76 25.626 -4.627 0.245 1.00 21.53 H new ATOM 0 HG2 GLU A 76 24.975 -5.598 2.355 1.00 44.33 H new ATOM 0 HG3 GLU A 76 23.942 -4.219 2.033 1.00 44.33 H new ATOM 1199 N ASN A 77 22.669 -2.367 -0.465 1.00 42.52 N ATOM 1200 CA ASN A 77 22.633 -0.911 -0.382 1.00 43.14 C ATOM 1201 C ASN A 77 21.700 -0.452 0.734 1.00 73.51 C ATOM 1202 O ASN A 77 20.828 -1.192 1.191 1.00 23.22 O ATOM 1203 CB ASN A 77 22.182 -0.314 -1.717 1.00 60.31 C ATOM 1204 CG ASN A 77 21.178 -1.196 -2.435 1.00 23.04 C ATOM 1205 OD1 ASN A 77 21.436 -1.680 -3.537 1.00 4.50 O ATOM 1206 ND2 ASN A 77 20.026 -1.409 -1.810 1.00 74.05 N ATOM 0 H ASN A 77 21.758 -2.817 -0.380 1.00 42.52 H new ATOM 0 HA ASN A 77 23.640 -0.560 -0.156 1.00 43.14 H new ATOM 0 HB2 ASN A 77 21.740 0.667 -1.542 1.00 60.31 H new ATOM 0 HB3 ASN A 77 23.052 -0.163 -2.357 1.00 60.31 H new ATOM 0 HD21 ASN A 77 19.312 -1.994 -2.243 1.00 74.05 H new ATOM 0 HD22 ASN A 77 19.855 -0.987 -0.897 1.00 74.05 H new ATOM 1213 N PRO A 78 21.884 0.798 1.184 1.00 63.44 N ATOM 1214 CA PRO A 78 21.068 1.384 2.251 1.00 72.33 C ATOM 1215 C PRO A 78 19.635 1.651 1.803 1.00 12.55 C ATOM 1216 O PRO A 78 19.297 2.765 1.403 1.00 44.42 O ATOM 1217 CB PRO A 78 21.785 2.699 2.564 1.00 11.31 C ATOM 1218 CG PRO A 78 22.508 3.045 1.308 1.00 10.13 C ATOM 1219 CD PRO A 78 22.904 1.735 0.685 1.00 41.55 C ATOM 0 HA PRO A 78 20.978 0.718 3.109 1.00 72.33 H new ATOM 0 HB2 PRO A 78 21.077 3.480 2.841 1.00 11.31 H new ATOM 0 HB3 PRO A 78 22.476 2.584 3.399 1.00 11.31 H new ATOM 0 HG2 PRO A 78 21.870 3.620 0.636 1.00 10.13 H new ATOM 0 HG3 PRO A 78 23.384 3.658 1.518 1.00 10.13 H new ATOM 0 HD2 PRO A 78 22.901 1.790 -0.404 1.00 41.55 H new ATOM 0 HD3 PRO A 78 23.908 1.434 0.986 1.00 41.55 H new TER 1227 PRO A 78