USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 813 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 58 THR OG1 : rot 173:sc= 1.11 USER MOD Set 1.2: B 145 SER OG : rot 180:sc= 1.23 USER MOD Set 2.1: A 61 GLN : amide:sc= 0.155 K(o=0.25,f=-2.8!) USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.0951 K(o=0.25,f=-6.7!) USER MOD Set 3.1: A 44 THR OG1 : rot -105:sc= 1.94 USER MOD Set 3.2: B 149 LYS NZ :NH3+ -133:sc= 0.89 (180deg=0.433) USER MOD Set 4.1: A 9 SER OG : rot 157:sc= 1.22 USER MOD Set 4.2: A 35 TYR OH : rot 175:sc= 1.19 USER MOD Set 5.1: A 2 GLN : amide:sc= -0.489 X(o=-0.49,f=0) USER MOD Set 5.2: A 32 GLN : amide:sc= 0 X(o=-0.49,f=0) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0115) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.12 (180deg=1.03) USER MOD Single : A 3 THR OG1 : rot 133:sc= 1.96 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -139:sc= 1.17 USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= 2.11 (180deg=0.295) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 54:sc= 1.07 USER MOD Single : A 26 ASN : amide:sc= 0.0048 X(o=0.0048,f=-0.0085) USER MOD Single : A 33 TYR OH : rot -169:sc= 1.26 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0.43 (180deg=0.396) USER MOD Single : A 49 GLN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.734 K(o=0.73,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= 0.644 (180deg=0.0463!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc=-0.00585 X(o=-0.0058,f=-0.1) USER MOD Single : A 67 GLN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : A 72 TYR OH : rot 63:sc= 1.18 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 178:sc= -0.617 (180deg=-0.638) USER MOD Single : A 82 ASN : amide:sc= 0.502 K(o=0.5,f=-0.019) USER MOD Single : B 131 GLN : amide:sc= 0.903 K(o=0.9,f=-0.22) USER MOD Single : B 137 SER OG : rot 180:sc= 0 USER MOD Single : B 139 GLN : amide:sc= -0.242 K(o=-0.24,f=-3.8!) USER MOD Single : B 143 SER OG : rot -171:sc= 0.045 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.874 -16.598 -0.961 1.00 1.00 N ATOM 2 CA MET A 1 13.937 -15.473 -1.231 1.00 1.00 C ATOM 3 C MET A 1 14.457 -14.174 -0.610 1.00 1.00 C ATOM 4 O MET A 1 14.746 -14.155 0.579 1.00 1.00 O ATOM 5 CB MET A 1 12.510 -15.791 -0.737 1.00 1.00 C ATOM 6 CG MET A 1 11.786 -16.829 -1.614 1.00 1.00 C ATOM 7 SD MET A 1 11.610 -16.417 -3.381 1.00 1.00 S ATOM 8 CE MET A 1 10.580 -14.921 -3.310 1.00 1.00 C ATOM 0 H1 MET A 1 14.606 -17.420 -1.540 1.00 1.00 H new ATOM 0 H2 MET A 1 15.843 -16.307 -1.200 1.00 1.00 H new ATOM 0 H3 MET A 1 14.828 -16.854 0.046 1.00 1.00 H new ATOM 0 HA MET A 1 13.884 -15.338 -2.311 1.00 1.00 H new ATOM 0 HB2 MET A 1 12.560 -16.161 0.287 1.00 1.00 H new ATOM 0 HB3 MET A 1 11.926 -14.871 -0.715 1.00 1.00 H new ATOM 0 HG2 MET A 1 12.321 -17.775 -1.536 1.00 1.00 H new ATOM 0 HG3 MET A 1 10.791 -16.991 -1.200 1.00 1.00 H new ATOM 0 HE1 MET A 1 10.349 -14.590 -4.322 1.00 1.00 H new ATOM 0 HE2 MET A 1 9.654 -15.142 -2.780 1.00 1.00 H new ATOM 0 HE3 MET A 1 11.119 -14.133 -2.785 1.00 1.00 H new ATOM 20 N GLN A 2 14.580 -13.093 -1.394 1.00 1.00 N ATOM 21 CA GLN A 2 15.079 -11.747 -1.004 1.00 1.00 C ATOM 22 C GLN A 2 13.992 -10.651 -0.951 1.00 1.00 C ATOM 23 O GLN A 2 13.313 -10.437 -1.945 1.00 1.00 O ATOM 24 CB GLN A 2 16.222 -11.273 -1.941 1.00 1.00 C ATOM 25 CG GLN A 2 17.615 -11.717 -1.453 1.00 1.00 C ATOM 26 CD GLN A 2 18.813 -10.991 -2.071 1.00 1.00 C ATOM 27 OE1 GLN A 2 19.927 -11.487 -2.086 1.00 1.00 O ATOM 28 NE2 GLN A 2 18.711 -9.779 -2.566 1.00 1.00 N ATOM 0 H GLN A 2 14.320 -13.127 -2.380 1.00 1.00 H new ATOM 0 HA GLN A 2 15.449 -11.882 0.012 1.00 1.00 H new ATOM 0 HB2 GLN A 2 16.051 -11.666 -2.943 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.197 -10.186 -2.016 1.00 1.00 H new ATOM 0 HG2 GLN A 2 17.656 -11.587 -0.372 1.00 1.00 H new ATOM 0 HG3 GLN A 2 17.723 -12.784 -1.650 1.00 1.00 H new ATOM 0 HE21 GLN A 2 17.806 -9.309 -2.582 1.00 1.00 H new ATOM 0 HE22 GLN A 2 19.537 -9.307 -2.934 1.00 1.00 H new ATOM 37 N THR A 3 13.822 -9.941 0.175 1.00 1.00 N ATOM 38 CA THR A 3 12.960 -8.728 0.292 1.00 1.00 C ATOM 39 C THR A 3 13.741 -7.498 0.799 1.00 1.00 C ATOM 40 O THR A 3 14.241 -7.489 1.924 1.00 1.00 O ATOM 41 CB THR A 3 11.704 -8.972 1.144 1.00 1.00 C ATOM 42 OG1 THR A 3 10.966 -10.050 0.610 1.00 1.00 O ATOM 43 CG2 THR A 3 10.727 -7.794 1.157 1.00 1.00 C ATOM 0 H THR A 3 14.282 -10.188 1.051 1.00 1.00 H new ATOM 0 HA THR A 3 12.624 -8.509 -0.721 1.00 1.00 H new ATOM 0 HB THR A 3 12.079 -9.151 2.152 1.00 1.00 H new ATOM 0 HG1 THR A 3 10.711 -10.661 1.332 1.00 1.00 H new ATOM 0 HG21 THR A 3 9.867 -8.042 1.779 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.225 -6.913 1.561 1.00 1.00 H new ATOM 0 HG23 THR A 3 10.392 -7.588 0.140 1.00 1.00 H new ATOM 51 N VAL A 4 13.840 -6.439 -0.016 1.00 1.00 N ATOM 52 CA VAL A 4 14.610 -5.185 0.233 1.00 1.00 C ATOM 53 C VAL A 4 13.669 -3.987 0.462 1.00 1.00 C ATOM 54 O VAL A 4 12.732 -3.780 -0.314 1.00 1.00 O ATOM 55 CB VAL A 4 15.610 -4.867 -0.912 1.00 1.00 C ATOM 56 CG1 VAL A 4 16.526 -3.676 -0.568 1.00 1.00 C ATOM 57 CG2 VAL A 4 16.477 -6.081 -1.316 1.00 1.00 C ATOM 0 H VAL A 4 13.364 -6.420 -0.918 1.00 1.00 H new ATOM 0 HA VAL A 4 15.190 -5.356 1.140 1.00 1.00 H new ATOM 0 HB VAL A 4 14.986 -4.601 -1.765 1.00 1.00 H new ATOM 0 HG11 VAL A 4 17.208 -3.490 -1.398 1.00 1.00 H new ATOM 0 HG12 VAL A 4 15.918 -2.788 -0.392 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.100 -3.906 0.330 1.00 1.00 H new ATOM 0 HG21 VAL A 4 17.154 -5.793 -2.120 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.057 -6.416 -0.456 1.00 1.00 H new ATOM 0 HG23 VAL A 4 15.832 -6.891 -1.657 1.00 1.00 H new ATOM 67 N ILE A 5 13.922 -3.184 1.509 1.00 1.00 N ATOM 68 CA ILE A 5 13.045 -2.090 2.001 1.00 1.00 C ATOM 69 C ILE A 5 13.735 -0.711 2.005 1.00 1.00 C ATOM 70 O ILE A 5 14.773 -0.549 2.651 1.00 1.00 O ATOM 71 CB ILE A 5 12.467 -2.408 3.414 1.00 1.00 C ATOM 72 CG1 ILE A 5 11.848 -3.833 3.558 1.00 1.00 C ATOM 73 CG2 ILE A 5 11.448 -1.305 3.800 1.00 1.00 C ATOM 74 CD1 ILE A 5 12.777 -4.822 4.274 1.00 1.00 C ATOM 0 H ILE A 5 14.774 -3.277 2.062 1.00 1.00 H new ATOM 0 HA ILE A 5 12.222 -2.033 1.288 1.00 1.00 H new ATOM 0 HB ILE A 5 13.307 -2.410 4.108 1.00 1.00 H new ATOM 0 HG12 ILE A 5 10.910 -3.761 4.108 1.00 1.00 H new ATOM 0 HG13 ILE A 5 11.608 -4.220 2.568 1.00 1.00 H new ATOM 0 HG21 ILE A 5 11.038 -1.518 4.787 1.00 1.00 H new ATOM 0 HG22 ILE A 5 11.949 -0.337 3.816 1.00 1.00 H new ATOM 0 HG23 ILE A 5 10.640 -1.284 3.068 1.00 1.00 H new ATOM 0 HD11 ILE A 5 12.290 -5.794 4.343 1.00 1.00 H new ATOM 0 HD12 ILE A 5 13.706 -4.921 3.712 1.00 1.00 H new ATOM 0 HD13 ILE A 5 12.997 -4.454 5.276 1.00 1.00 H new ATOM 86 N PHE A 6 13.094 0.276 1.367 1.00 1.00 N ATOM 87 CA PHE A 6 13.512 1.677 1.229 1.00 1.00 C ATOM 88 C PHE A 6 12.750 2.633 2.185 1.00 1.00 C ATOM 89 O PHE A 6 11.556 2.884 2.033 1.00 1.00 O ATOM 90 CB PHE A 6 13.444 2.114 -0.253 1.00 1.00 C ATOM 91 CG PHE A 6 14.436 1.398 -1.166 1.00 1.00 C ATOM 92 CD1 PHE A 6 14.142 0.108 -1.671 1.00 1.00 C ATOM 93 CD2 PHE A 6 15.672 2.004 -1.494 1.00 1.00 C ATOM 94 CE1 PHE A 6 15.070 -0.563 -2.499 1.00 1.00 C ATOM 95 CE2 PHE A 6 16.588 1.343 -2.342 1.00 1.00 C ATOM 96 CZ PHE A 6 16.288 0.059 -2.845 1.00 1.00 C ATOM 0 H PHE A 6 12.204 0.104 0.899 1.00 1.00 H new ATOM 0 HA PHE A 6 14.553 1.747 1.544 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.434 1.939 -0.625 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.624 3.187 -0.312 1.00 1.00 H new ATOM 0 HD1 PHE A 6 13.204 -0.365 -1.422 1.00 1.00 H new ATOM 0 HD2 PHE A 6 15.916 2.977 -1.094 1.00 1.00 H new ATOM 0 HE1 PHE A 6 14.846 -1.553 -2.867 1.00 1.00 H new ATOM 0 HE2 PHE A 6 17.520 1.821 -2.606 1.00 1.00 H new ATOM 0 HZ PHE A 6 16.989 -0.446 -3.493 1.00 1.00 H new ATOM 106 N GLY A 7 13.453 3.158 3.200 1.00 1.00 N ATOM 107 CA GLY A 7 13.053 4.238 4.122 1.00 1.00 C ATOM 108 C GLY A 7 12.100 3.930 5.286 1.00 1.00 C ATOM 109 O GLY A 7 11.054 4.570 5.372 1.00 1.00 O ATOM 0 H GLY A 7 14.388 2.814 3.416 1.00 1.00 H new ATOM 0 HA2 GLY A 7 13.965 4.656 4.549 1.00 1.00 H new ATOM 0 HA3 GLY A 7 12.592 5.024 3.523 1.00 1.00 H new ATOM 113 N ARG A 8 12.457 3.029 6.225 1.00 1.00 N ATOM 114 CA ARG A 8 11.739 2.799 7.524 1.00 1.00 C ATOM 115 C ARG A 8 11.724 4.086 8.377 1.00 1.00 C ATOM 116 O ARG A 8 10.697 4.472 8.932 1.00 1.00 O ATOM 117 CB ARG A 8 12.384 1.643 8.351 1.00 1.00 C ATOM 118 CG ARG A 8 11.509 1.202 9.555 1.00 1.00 C ATOM 119 CD ARG A 8 12.239 0.796 10.858 1.00 1.00 C ATOM 120 NE ARG A 8 11.350 0.080 11.804 1.00 1.00 N ATOM 121 CZ ARG A 8 11.370 0.023 13.119 1.00 1.00 C ATOM 122 NH1 ARG A 8 12.202 0.646 13.875 1.00 1.00 N ATOM 123 NH2 ARG A 8 10.537 -0.694 13.758 1.00 1.00 N ATOM 0 H ARG A 8 13.268 2.421 6.111 1.00 1.00 H new ATOM 0 HA ARG A 8 10.718 2.514 7.272 1.00 1.00 H new ATOM 0 HB2 ARG A 8 12.554 0.787 7.698 1.00 1.00 H new ATOM 0 HB3 ARG A 8 13.360 1.964 8.716 1.00 1.00 H new ATOM 0 HG2 ARG A 8 10.827 2.018 9.792 1.00 1.00 H new ATOM 0 HG3 ARG A 8 10.897 0.358 9.235 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.090 0.161 10.612 1.00 1.00 H new ATOM 0 HD3 ARG A 8 12.637 1.688 11.342 1.00 1.00 H new ATOM 0 HE ARG A 8 10.601 -0.455 11.365 1.00 1.00 H new ATOM 0 HH11 ARG A 8 12.919 1.242 13.462 1.00 1.00 H new ATOM 0 HH12 ARG A 8 12.145 0.544 14.888 1.00 1.00 H new ATOM 0 HH21 ARG A 8 9.838 -1.238 13.252 1.00 1.00 H new ATOM 0 HH22 ARG A 8 10.568 -0.726 14.777 1.00 1.00 H new ATOM 137 N SER A 9 12.892 4.729 8.445 1.00 1.00 N ATOM 138 CA SER A 9 13.259 5.881 9.278 1.00 1.00 C ATOM 139 C SER A 9 12.402 7.122 8.971 1.00 1.00 C ATOM 140 O SER A 9 12.486 7.695 7.883 1.00 1.00 O ATOM 141 CB SER A 9 14.755 6.207 9.070 1.00 1.00 C ATOM 142 OG SER A 9 15.563 5.120 9.485 1.00 1.00 O ATOM 0 H SER A 9 13.677 4.431 7.867 1.00 1.00 H new ATOM 0 HA SER A 9 13.073 5.613 10.318 1.00 1.00 H new ATOM 0 HB2 SER A 9 14.943 6.426 8.019 1.00 1.00 H new ATOM 0 HB3 SER A 9 15.020 7.101 9.634 1.00 1.00 H new ATOM 0 HG SER A 9 16.431 5.165 9.031 1.00 1.00 H new ATOM 148 N GLY A 10 11.540 7.500 9.924 1.00 1.00 N ATOM 149 CA GLY A 10 10.759 8.753 9.954 1.00 1.00 C ATOM 150 C GLY A 10 9.253 8.701 9.631 1.00 1.00 C ATOM 151 O GLY A 10 8.573 9.698 9.890 1.00 1.00 O ATOM 0 H GLY A 10 11.356 6.914 10.738 1.00 1.00 H new ATOM 0 HA2 GLY A 10 10.868 9.185 10.949 1.00 1.00 H new ATOM 0 HA3 GLY A 10 11.222 9.447 9.253 1.00 1.00 H new ATOM 155 N CYS A 11 8.704 7.605 9.091 1.00 1.00 N ATOM 156 CA CYS A 11 7.278 7.444 8.735 1.00 1.00 C ATOM 157 C CYS A 11 6.628 6.093 9.167 1.00 1.00 C ATOM 158 O CYS A 11 7.146 5.026 8.816 1.00 1.00 O ATOM 159 CB CYS A 11 7.078 7.827 7.265 1.00 1.00 C ATOM 160 SG CYS A 11 8.203 7.082 6.040 1.00 1.00 S ATOM 0 H CYS A 11 9.256 6.773 8.880 1.00 1.00 H new ATOM 0 HA CYS A 11 6.703 8.142 9.343 1.00 1.00 H new ATOM 0 HB2 CYS A 11 6.057 7.567 6.986 1.00 1.00 H new ATOM 0 HB3 CYS A 11 7.164 8.911 7.185 1.00 1.00 H new ATOM 165 N PRO A 12 5.490 6.111 9.908 1.00 1.00 N ATOM 166 CA PRO A 12 4.903 4.931 10.568 1.00 1.00 C ATOM 167 C PRO A 12 4.321 3.835 9.651 1.00 1.00 C ATOM 168 O PRO A 12 4.435 2.660 10.011 1.00 1.00 O ATOM 169 CB PRO A 12 3.856 5.489 11.546 1.00 1.00 C ATOM 170 CG PRO A 12 3.409 6.793 10.886 1.00 1.00 C ATOM 171 CD PRO A 12 4.692 7.293 10.227 1.00 1.00 C ATOM 0 HA PRO A 12 5.704 4.381 11.061 1.00 1.00 H new ATOM 0 HB2 PRO A 12 3.022 4.799 11.677 1.00 1.00 H new ATOM 0 HB3 PRO A 12 4.283 5.665 12.533 1.00 1.00 H new ATOM 0 HG2 PRO A 12 2.617 6.626 10.156 1.00 1.00 H new ATOM 0 HG3 PRO A 12 3.025 7.505 11.616 1.00 1.00 H new ATOM 0 HD2 PRO A 12 4.467 7.863 9.325 1.00 1.00 H new ATOM 0 HD3 PRO A 12 5.237 7.958 10.897 1.00 1.00 H new ATOM 179 N TYR A 13 3.757 4.153 8.472 1.00 1.00 N ATOM 180 CA TYR A 13 3.323 3.101 7.518 1.00 1.00 C ATOM 181 C TYR A 13 4.534 2.380 6.882 1.00 1.00 C ATOM 182 O TYR A 13 4.521 1.159 6.728 1.00 1.00 O ATOM 183 CB TYR A 13 2.306 3.612 6.480 1.00 1.00 C ATOM 184 CG TYR A 13 1.101 4.379 7.023 1.00 1.00 C ATOM 185 CD1 TYR A 13 0.308 3.859 8.079 1.00 1.00 C ATOM 186 CD2 TYR A 13 0.746 5.617 6.441 1.00 1.00 C ATOM 187 CE1 TYR A 13 -0.825 4.576 8.543 1.00 1.00 C ATOM 188 CE2 TYR A 13 -0.385 6.327 6.890 1.00 1.00 C ATOM 189 CZ TYR A 13 -1.176 5.810 7.939 1.00 1.00 C ATOM 190 OH TYR A 13 -2.262 6.516 8.354 1.00 1.00 O ATOM 0 H TYR A 13 3.591 5.108 8.156 1.00 1.00 H new ATOM 0 HA TYR A 13 2.781 2.352 8.096 1.00 1.00 H new ATOM 0 HB2 TYR A 13 2.832 4.258 5.777 1.00 1.00 H new ATOM 0 HB3 TYR A 13 1.938 2.756 5.914 1.00 1.00 H new ATOM 0 HD1 TYR A 13 0.568 2.913 8.531 1.00 1.00 H new ATOM 0 HD2 TYR A 13 1.349 6.024 5.643 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -1.419 4.183 9.355 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -0.647 7.269 6.431 1.00 1.00 H new ATOM 0 HH TYR A 13 -2.342 7.336 7.823 1.00 1.00 H new ATOM 200 N SER A 14 5.615 3.125 6.588 1.00 1.00 N ATOM 201 CA SER A 14 6.939 2.595 6.182 1.00 1.00 C ATOM 202 C SER A 14 7.595 1.707 7.258 1.00 1.00 C ATOM 203 O SER A 14 8.151 0.654 6.935 1.00 1.00 O ATOM 204 CB SER A 14 7.910 3.732 5.851 1.00 1.00 C ATOM 205 OG SER A 14 8.863 3.263 4.922 1.00 1.00 O ATOM 0 H SER A 14 5.596 4.144 6.626 1.00 1.00 H new ATOM 0 HA SER A 14 6.745 1.984 5.301 1.00 1.00 H new ATOM 0 HB2 SER A 14 7.368 4.583 5.438 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.406 4.080 6.757 1.00 1.00 H new ATOM 0 HG SER A 14 9.748 3.613 5.156 1.00 1.00 H new ATOM 211 N VAL A 15 7.486 2.090 8.548 1.00 1.00 N ATOM 212 CA VAL A 15 7.879 1.238 9.697 1.00 1.00 C ATOM 213 C VAL A 15 7.153 -0.105 9.649 1.00 1.00 C ATOM 214 O VAL A 15 7.820 -1.134 9.576 1.00 1.00 O ATOM 215 CB VAL A 15 7.652 1.911 11.079 1.00 1.00 C ATOM 216 CG1 VAL A 15 7.780 0.904 12.240 1.00 1.00 C ATOM 217 CG2 VAL A 15 8.635 3.066 11.317 1.00 1.00 C ATOM 0 H VAL A 15 7.122 3.002 8.826 1.00 1.00 H new ATOM 0 HA VAL A 15 8.953 1.083 9.596 1.00 1.00 H new ATOM 0 HB VAL A 15 6.635 2.302 11.057 1.00 1.00 H new ATOM 0 HG11 VAL A 15 7.614 1.417 13.187 1.00 1.00 H new ATOM 0 HG12 VAL A 15 7.038 0.114 12.120 1.00 1.00 H new ATOM 0 HG13 VAL A 15 8.779 0.467 12.234 1.00 1.00 H new ATOM 0 HG21 VAL A 15 8.444 3.511 12.294 1.00 1.00 H new ATOM 0 HG22 VAL A 15 9.656 2.687 11.284 1.00 1.00 H new ATOM 0 HG23 VAL A 15 8.503 3.821 10.542 1.00 1.00 H new ATOM 227 N ARG A 16 5.812 -0.097 9.582 1.00 1.00 N ATOM 228 CA ARG A 16 4.957 -1.304 9.513 1.00 1.00 C ATOM 229 C ARG A 16 5.293 -2.174 8.282 1.00 1.00 C ATOM 230 O ARG A 16 5.505 -3.373 8.436 1.00 1.00 O ATOM 231 CB ARG A 16 3.470 -0.901 9.679 1.00 1.00 C ATOM 232 CG ARG A 16 3.221 -0.334 11.102 1.00 1.00 C ATOM 233 CD ARG A 16 1.836 0.285 11.351 1.00 1.00 C ATOM 234 NE ARG A 16 0.845 -0.706 11.812 1.00 1.00 N ATOM 235 CZ ARG A 16 -0.366 -0.507 12.279 1.00 1.00 C ATOM 236 NH1 ARG A 16 -0.860 0.632 12.626 1.00 1.00 N ATOM 237 NH2 ARG A 16 -1.129 -1.520 12.433 1.00 1.00 N ATOM 0 H ARG A 16 5.274 0.769 9.574 1.00 1.00 H new ATOM 0 HA ARG A 16 5.171 -1.969 10.349 1.00 1.00 H new ATOM 0 HB2 ARG A 16 3.203 -0.155 8.931 1.00 1.00 H new ATOM 0 HB3 ARG A 16 2.830 -1.767 9.508 1.00 1.00 H new ATOM 0 HG2 ARG A 16 3.372 -1.138 11.823 1.00 1.00 H new ATOM 0 HG3 ARG A 16 3.977 0.424 11.306 1.00 1.00 H new ATOM 0 HD2 ARG A 16 1.925 1.077 12.094 1.00 1.00 H new ATOM 0 HD3 ARG A 16 1.479 0.749 10.432 1.00 1.00 H new ATOM 0 HE ARG A 16 1.142 -1.681 11.761 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -0.296 1.478 12.547 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -1.815 0.687 12.979 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -0.792 -2.453 12.195 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -2.075 -1.396 12.794 1.00 1.00 H new ATOM 251 N ALA A 17 5.519 -1.570 7.110 1.00 1.00 N ATOM 252 CA ALA A 17 6.027 -2.208 5.882 1.00 1.00 C ATOM 253 C ALA A 17 7.348 -3.007 6.064 1.00 1.00 C ATOM 254 O ALA A 17 7.402 -4.184 5.688 1.00 1.00 O ATOM 255 CB ALA A 17 6.159 -1.128 4.791 1.00 1.00 C ATOM 0 H ALA A 17 5.345 -0.573 6.982 1.00 1.00 H new ATOM 0 HA ALA A 17 5.303 -2.967 5.586 1.00 1.00 H new ATOM 0 HB1 ALA A 17 6.534 -1.582 3.874 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.183 -0.681 4.602 1.00 1.00 H new ATOM 0 HB3 ALA A 17 6.853 -0.357 5.125 1.00 1.00 H new ATOM 261 N LYS A 18 8.400 -2.393 6.641 1.00 1.00 N ATOM 262 CA LYS A 18 9.679 -3.056 7.011 1.00 1.00 C ATOM 263 C LYS A 18 9.513 -4.125 8.098 1.00 1.00 C ATOM 264 O LYS A 18 10.008 -5.241 7.950 1.00 1.00 O ATOM 265 CB LYS A 18 10.726 -2.015 7.457 1.00 1.00 C ATOM 266 CG LYS A 18 12.165 -2.596 7.542 1.00 1.00 C ATOM 267 CD LYS A 18 12.817 -2.425 8.928 1.00 1.00 C ATOM 268 CE LYS A 18 12.318 -3.477 9.927 1.00 1.00 C ATOM 269 NZ LYS A 18 12.294 -2.996 11.327 1.00 1.00 N ATOM 0 H LYS A 18 8.390 -1.399 6.871 1.00 1.00 H new ATOM 0 HA LYS A 18 10.026 -3.565 6.112 1.00 1.00 H new ATOM 0 HB2 LYS A 18 10.719 -1.179 6.758 1.00 1.00 H new ATOM 0 HB3 LYS A 18 10.443 -1.618 8.432 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.135 -3.656 7.292 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.790 -2.109 6.793 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.900 -2.500 8.832 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.600 -1.428 9.311 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.314 -3.790 9.641 1.00 1.00 H new ATOM 0 HE3 LYS A 18 12.957 -4.358 9.865 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.283 -3.810 11.974 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.140 -2.420 11.511 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.442 -2.419 11.481 1.00 1.00 H new ATOM 283 N ASP A 19 8.869 -3.757 9.205 1.00 1.00 N ATOM 284 CA ASP A 19 8.574 -4.588 10.385 1.00 1.00 C ATOM 285 C ASP A 19 7.925 -5.941 10.020 1.00 1.00 C ATOM 286 O ASP A 19 8.345 -6.971 10.539 1.00 1.00 O ATOM 287 CB ASP A 19 7.722 -3.754 11.370 1.00 1.00 C ATOM 288 CG ASP A 19 8.538 -2.694 12.149 1.00 1.00 C ATOM 289 OD1 ASP A 19 9.659 -2.307 11.723 1.00 1.00 O ATOM 290 OD2 ASP A 19 8.056 -2.208 13.195 1.00 1.00 O ATOM 0 H ASP A 19 8.513 -2.807 9.314 1.00 1.00 H new ATOM 0 HA ASP A 19 9.510 -4.864 10.871 1.00 1.00 H new ATOM 0 HB2 ASP A 19 6.927 -3.254 10.817 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.242 -4.426 12.081 1.00 1.00 H new ATOM 295 N LEU A 20 6.961 -5.951 9.088 1.00 1.00 N ATOM 296 CA LEU A 20 6.365 -7.142 8.450 1.00 1.00 C ATOM 297 C LEU A 20 7.419 -8.112 7.849 1.00 1.00 C ATOM 298 O LEU A 20 7.425 -9.294 8.194 1.00 1.00 O ATOM 299 CB LEU A 20 5.338 -6.666 7.383 1.00 1.00 C ATOM 300 CG LEU A 20 3.851 -6.628 7.810 1.00 1.00 C ATOM 301 CD1 LEU A 20 3.583 -5.963 9.167 1.00 1.00 C ATOM 302 CD2 LEU A 20 3.042 -5.905 6.720 1.00 1.00 C ATOM 0 H LEU A 20 6.552 -5.085 8.738 1.00 1.00 H new ATOM 0 HA LEU A 20 5.859 -7.727 9.218 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.624 -5.665 7.060 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.425 -7.318 6.514 1.00 1.00 H new ATOM 0 HG LEU A 20 3.543 -7.667 7.929 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.514 -5.985 9.378 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.118 -6.502 9.948 1.00 1.00 H new ATOM 0 HD13 LEU A 20 3.926 -4.929 9.139 1.00 1.00 H new ATOM 0 HD21 LEU A 20 1.991 -5.871 7.009 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.418 -4.889 6.601 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.142 -6.442 5.777 1.00 1.00 H new ATOM 314 N ALA A 21 8.296 -7.630 6.955 1.00 1.00 N ATOM 315 CA ALA A 21 9.408 -8.386 6.348 1.00 1.00 C ATOM 316 C ALA A 21 10.463 -8.891 7.374 1.00 1.00 C ATOM 317 O ALA A 21 10.880 -10.046 7.320 1.00 1.00 O ATOM 318 CB ALA A 21 10.037 -7.513 5.249 1.00 1.00 C ATOM 0 H ALA A 21 8.250 -6.667 6.621 1.00 1.00 H new ATOM 0 HA ALA A 21 9.004 -9.302 5.916 1.00 1.00 H new ATOM 0 HB1 ALA A 21 10.863 -8.052 4.785 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.286 -7.281 4.494 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.409 -6.587 5.688 1.00 1.00 H new ATOM 324 N GLU A 22 10.868 -8.050 8.334 1.00 1.00 N ATOM 325 CA GLU A 22 11.728 -8.390 9.493 1.00 1.00 C ATOM 326 C GLU A 22 11.154 -9.544 10.357 1.00 1.00 C ATOM 327 O GLU A 22 11.862 -10.512 10.637 1.00 1.00 O ATOM 328 CB GLU A 22 11.996 -7.091 10.281 1.00 1.00 C ATOM 329 CG GLU A 22 12.997 -7.239 11.436 1.00 1.00 C ATOM 330 CD GLU A 22 13.486 -5.859 11.908 1.00 1.00 C ATOM 331 OE1 GLU A 22 14.427 -5.306 11.293 1.00 1.00 O ATOM 332 OE2 GLU A 22 12.851 -5.238 12.789 1.00 1.00 O ATOM 0 H GLU A 22 10.597 -7.067 8.331 1.00 1.00 H new ATOM 0 HA GLU A 22 12.679 -8.791 9.143 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.367 -6.333 9.591 1.00 1.00 H new ATOM 0 HB3 GLU A 22 11.051 -6.723 10.681 1.00 1.00 H new ATOM 0 HG2 GLU A 22 12.528 -7.768 12.266 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.846 -7.841 11.114 1.00 1.00 H new ATOM 339 N LYS A 23 9.863 -9.475 10.726 1.00 1.00 N ATOM 340 CA LYS A 23 9.034 -10.535 11.362 1.00 1.00 C ATOM 341 C LYS A 23 8.996 -11.846 10.545 1.00 1.00 C ATOM 342 O LYS A 23 9.187 -12.916 11.115 1.00 1.00 O ATOM 343 CB LYS A 23 7.645 -9.911 11.664 1.00 1.00 C ATOM 344 CG LYS A 23 6.416 -10.825 11.889 1.00 1.00 C ATOM 345 CD LYS A 23 5.462 -10.823 10.672 1.00 1.00 C ATOM 346 CE LYS A 23 4.094 -11.432 11.005 1.00 1.00 C ATOM 347 NZ LYS A 23 3.098 -11.147 9.940 1.00 1.00 N ATOM 0 H LYS A 23 9.326 -8.620 10.581 1.00 1.00 H new ATOM 0 HA LYS A 23 9.481 -10.863 12.301 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.755 -9.292 12.554 1.00 1.00 H new ATOM 0 HB3 LYS A 23 7.404 -9.242 10.838 1.00 1.00 H new ATOM 0 HG2 LYS A 23 6.752 -11.843 12.084 1.00 1.00 H new ATOM 0 HG3 LYS A 23 5.874 -10.493 12.775 1.00 1.00 H new ATOM 0 HD2 LYS A 23 5.326 -9.800 10.321 1.00 1.00 H new ATOM 0 HD3 LYS A 23 5.917 -11.383 9.855 1.00 1.00 H new ATOM 0 HE2 LYS A 23 4.195 -12.510 11.131 1.00 1.00 H new ATOM 0 HE3 LYS A 23 3.738 -11.032 11.954 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 2.184 -11.573 10.196 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 2.984 -10.118 9.837 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 3.427 -11.550 9.040 1.00 1.00 H new ATOM 361 N LEU A 24 8.836 -11.769 9.217 1.00 1.00 N ATOM 362 CA LEU A 24 8.943 -12.887 8.253 1.00 1.00 C ATOM 363 C LEU A 24 10.358 -13.541 8.220 1.00 1.00 C ATOM 364 O LEU A 24 10.476 -14.762 8.321 1.00 1.00 O ATOM 365 CB LEU A 24 8.441 -12.391 6.870 1.00 1.00 C ATOM 366 CG LEU A 24 7.626 -13.421 6.057 1.00 1.00 C ATOM 367 CD1 LEU A 24 7.037 -12.768 4.798 1.00 1.00 C ATOM 368 CD2 LEU A 24 8.475 -14.617 5.630 1.00 1.00 C ATOM 0 H LEU A 24 8.618 -10.885 8.757 1.00 1.00 H new ATOM 0 HA LEU A 24 8.303 -13.707 8.579 1.00 1.00 H new ATOM 0 HB2 LEU A 24 7.826 -11.504 7.022 1.00 1.00 H new ATOM 0 HB3 LEU A 24 9.303 -12.084 6.277 1.00 1.00 H new ATOM 0 HG LEU A 24 6.828 -13.773 6.710 1.00 1.00 H new ATOM 0 HD11 LEU A 24 6.466 -13.508 4.237 1.00 1.00 H new ATOM 0 HD12 LEU A 24 6.381 -11.947 5.087 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.845 -12.385 4.175 1.00 1.00 H new ATOM 0 HD21 LEU A 24 7.861 -15.315 5.061 1.00 1.00 H new ATOM 0 HD22 LEU A 24 9.302 -14.273 5.009 1.00 1.00 H new ATOM 0 HD23 LEU A 24 8.869 -15.118 6.514 1.00 1.00 H new ATOM 380 N SER A 25 11.436 -12.741 8.165 1.00 1.00 N ATOM 381 CA SER A 25 12.851 -13.182 8.316 1.00 1.00 C ATOM 382 C SER A 25 13.168 -13.836 9.684 1.00 1.00 C ATOM 383 O SER A 25 14.015 -14.731 9.757 1.00 1.00 O ATOM 384 CB SER A 25 13.816 -12.020 8.042 1.00 1.00 C ATOM 385 OG SER A 25 15.087 -12.497 7.630 1.00 1.00 O ATOM 0 H SER A 25 11.354 -11.736 8.010 1.00 1.00 H new ATOM 0 HA SER A 25 12.995 -13.963 7.569 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.400 -11.372 7.271 1.00 1.00 H new ATOM 0 HB3 SER A 25 13.926 -11.415 8.942 1.00 1.00 H new ATOM 0 HG SER A 25 14.978 -13.097 6.863 1.00 1.00 H new ATOM 391 N ASN A 26 12.500 -13.403 10.769 1.00 1.00 N ATOM 392 CA ASN A 26 12.488 -14.053 12.095 1.00 1.00 C ATOM 393 C ASN A 26 11.726 -15.413 12.082 1.00 1.00 C ATOM 394 O ASN A 26 12.174 -16.363 12.718 1.00 1.00 O ATOM 395 CB ASN A 26 11.924 -13.070 13.155 1.00 1.00 C ATOM 396 CG ASN A 26 12.188 -13.434 14.618 1.00 1.00 C ATOM 397 OD1 ASN A 26 12.140 -12.593 15.499 1.00 1.00 O ATOM 398 ND2 ASN A 26 12.418 -14.672 14.983 1.00 1.00 N ATOM 0 H ASN A 26 11.931 -12.557 10.746 1.00 1.00 H new ATOM 0 HA ASN A 26 13.515 -14.298 12.366 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.345 -12.083 12.966 1.00 1.00 H new ATOM 0 HB3 ASN A 26 10.847 -12.990 13.010 1.00 1.00 H new ATOM 0 HD21 ASN A 26 12.548 -14.897 15.969 1.00 1.00 H new ATOM 0 HD22 ASN A 26 12.467 -15.410 14.281 1.00 1.00 H new ATOM 405 N GLU A 27 10.566 -15.487 11.417 1.00 1.00 N ATOM 406 CA GLU A 27 9.654 -16.652 11.304 1.00 1.00 C ATOM 407 C GLU A 27 10.211 -17.843 10.476 1.00 1.00 C ATOM 408 O GLU A 27 9.731 -18.972 10.654 1.00 1.00 O ATOM 409 CB GLU A 27 8.322 -16.123 10.699 1.00 1.00 C ATOM 410 CG GLU A 27 7.264 -17.137 10.223 1.00 1.00 C ATOM 411 CD GLU A 27 6.144 -16.459 9.412 1.00 1.00 C ATOM 412 OE1 GLU A 27 5.344 -15.699 9.998 1.00 1.00 O ATOM 413 OE2 GLU A 27 6.006 -16.740 8.190 1.00 1.00 O ATOM 0 H GLU A 27 10.207 -14.682 10.904 1.00 1.00 H new ATOM 0 HA GLU A 27 9.516 -17.074 12.299 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.852 -15.483 11.446 1.00 1.00 H new ATOM 0 HB3 GLU A 27 8.575 -15.488 9.850 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.743 -17.902 9.612 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.832 -17.643 11.086 1.00 1.00 H new ATOM 420 N ARG A 28 11.181 -17.617 9.567 1.00 1.00 N ATOM 421 CA ARG A 28 11.670 -18.596 8.556 1.00 1.00 C ATOM 422 C ARG A 28 13.191 -18.677 8.310 1.00 1.00 C ATOM 423 O ARG A 28 13.957 -17.822 8.737 1.00 1.00 O ATOM 424 CB ARG A 28 10.948 -18.331 7.216 1.00 1.00 C ATOM 425 CG ARG A 28 9.412 -18.241 7.274 1.00 1.00 C ATOM 426 CD ARG A 28 8.806 -18.114 5.871 1.00 1.00 C ATOM 427 NE ARG A 28 7.393 -17.676 5.917 1.00 1.00 N ATOM 428 CZ ARG A 28 6.591 -17.492 4.898 1.00 1.00 C ATOM 429 NH1 ARG A 28 6.907 -17.837 3.697 1.00 1.00 N ATOM 430 NH2 ARG A 28 5.458 -16.907 5.065 1.00 1.00 N ATOM 0 H ARG A 28 11.666 -16.721 9.509 1.00 1.00 H new ATOM 0 HA ARG A 28 11.432 -19.567 8.991 1.00 1.00 H new ATOM 0 HB2 ARG A 28 11.330 -17.398 6.800 1.00 1.00 H new ATOM 0 HB3 ARG A 28 11.218 -19.125 6.519 1.00 1.00 H new ATOM 0 HG2 ARG A 28 9.012 -19.128 7.766 1.00 1.00 H new ATOM 0 HG3 ARG A 28 9.119 -17.382 7.878 1.00 1.00 H new ATOM 0 HD2 ARG A 28 9.388 -17.401 5.287 1.00 1.00 H new ATOM 0 HD3 ARG A 28 8.872 -19.074 5.359 1.00 1.00 H new ATOM 0 HE ARG A 28 7.002 -17.498 6.842 1.00 1.00 H new ATOM 0 HH11 ARG A 28 7.811 -18.271 3.512 1.00 1.00 H new ATOM 0 HH12 ARG A 28 6.253 -17.676 2.931 1.00 1.00 H new ATOM 0 HH21 ARG A 28 5.182 -16.585 5.993 1.00 1.00 H new ATOM 0 HH22 ARG A 28 4.835 -16.765 4.270 1.00 1.00 H new ATOM 444 N ASP A 29 13.606 -19.699 7.549 1.00 1.00 N ATOM 445 CA ASP A 29 14.974 -19.966 7.031 1.00 1.00 C ATOM 446 C ASP A 29 15.115 -19.938 5.474 1.00 1.00 C ATOM 447 O ASP A 29 16.086 -20.460 4.914 1.00 1.00 O ATOM 448 CB ASP A 29 15.495 -21.296 7.632 1.00 1.00 C ATOM 449 CG ASP A 29 15.930 -21.251 9.091 1.00 1.00 C ATOM 450 OD1 ASP A 29 16.544 -20.243 9.498 1.00 1.00 O ATOM 451 OD2 ASP A 29 15.787 -22.301 9.766 1.00 1.00 O ATOM 0 H ASP A 29 12.951 -20.422 7.251 1.00 1.00 H new ATOM 0 HA ASP A 29 15.596 -19.133 7.358 1.00 1.00 H new ATOM 0 HB2 ASP A 29 14.712 -22.047 7.531 1.00 1.00 H new ATOM 0 HB3 ASP A 29 16.340 -21.635 7.033 1.00 1.00 H new ATOM 456 N ASP A 30 14.152 -19.332 4.769 1.00 1.00 N ATOM 457 CA ASP A 30 14.082 -19.090 3.305 1.00 1.00 C ATOM 458 C ASP A 30 14.185 -17.596 2.887 1.00 1.00 C ATOM 459 O ASP A 30 14.670 -17.247 1.805 1.00 1.00 O ATOM 460 CB ASP A 30 12.747 -19.693 2.803 1.00 1.00 C ATOM 461 CG ASP A 30 11.446 -19.035 3.313 1.00 1.00 C ATOM 462 OD1 ASP A 30 11.505 -18.278 4.298 1.00 1.00 O ATOM 463 OD2 ASP A 30 10.366 -19.286 2.722 1.00 1.00 O ATOM 0 H ASP A 30 13.326 -18.963 5.240 1.00 1.00 H new ATOM 0 HA ASP A 30 14.951 -19.564 2.849 1.00 1.00 H new ATOM 0 HB2 ASP A 30 12.744 -19.650 1.714 1.00 1.00 H new ATOM 0 HB3 ASP A 30 12.725 -20.747 3.081 1.00 1.00 H new ATOM 468 N PHE A 31 13.708 -16.729 3.778 1.00 1.00 N ATOM 469 CA PHE A 31 13.472 -15.290 3.654 1.00 1.00 C ATOM 470 C PHE A 31 14.619 -14.415 4.222 1.00 1.00 C ATOM 471 O PHE A 31 14.785 -14.211 5.432 1.00 1.00 O ATOM 472 CB PHE A 31 12.110 -14.964 4.289 1.00 1.00 C ATOM 473 CG PHE A 31 11.598 -13.571 3.964 1.00 1.00 C ATOM 474 CD1 PHE A 31 12.040 -12.460 4.717 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.647 -13.384 2.934 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.517 -11.178 4.465 1.00 1.00 C ATOM 477 CE2 PHE A 31 10.106 -12.104 2.698 1.00 1.00 C ATOM 478 CZ PHE A 31 10.533 -11.007 3.475 1.00 1.00 C ATOM 0 H PHE A 31 13.448 -17.054 4.709 1.00 1.00 H new ATOM 0 HA PHE A 31 13.453 -15.036 2.594 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.378 -15.698 3.952 1.00 1.00 H new ATOM 0 HB3 PHE A 31 12.190 -15.068 5.371 1.00 1.00 H new ATOM 0 HD1 PHE A 31 12.783 -12.595 5.489 1.00 1.00 H new ATOM 0 HD2 PHE A 31 10.335 -14.222 2.328 1.00 1.00 H new ATOM 0 HE1 PHE A 31 11.870 -10.328 5.030 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.366 -11.964 1.924 1.00 1.00 H new ATOM 0 HZ PHE A 31 10.102 -10.031 3.309 1.00 1.00 H new ATOM 488 N GLN A 32 15.346 -13.799 3.294 1.00 1.00 N ATOM 489 CA GLN A 32 16.445 -12.841 3.457 1.00 1.00 C ATOM 490 C GLN A 32 15.869 -11.409 3.350 1.00 1.00 C ATOM 491 O GLN A 32 15.290 -11.044 2.325 1.00 1.00 O ATOM 492 CB GLN A 32 17.452 -13.049 2.305 1.00 1.00 C ATOM 493 CG GLN A 32 18.146 -14.416 2.199 1.00 1.00 C ATOM 494 CD GLN A 32 18.694 -14.645 0.793 1.00 1.00 C ATOM 495 OE1 GLN A 32 18.282 -15.509 0.042 1.00 1.00 O ATOM 496 NE2 GLN A 32 19.641 -13.875 0.326 1.00 1.00 N ATOM 0 H GLN A 32 15.164 -13.974 2.306 1.00 1.00 H new ATOM 0 HA GLN A 32 16.933 -12.984 4.421 1.00 1.00 H new ATOM 0 HB2 GLN A 32 16.930 -12.865 1.366 1.00 1.00 H new ATOM 0 HB3 GLN A 32 18.226 -12.286 2.394 1.00 1.00 H new ATOM 0 HG2 GLN A 32 18.959 -14.472 2.923 1.00 1.00 H new ATOM 0 HG3 GLN A 32 17.439 -15.207 2.451 1.00 1.00 H new ATOM 0 HE21 GLN A 32 20.028 -13.132 0.908 1.00 1.00 H new ATOM 0 HE22 GLN A 32 19.993 -14.017 -0.621 1.00 1.00 H new ATOM 505 N TYR A 33 16.038 -10.585 4.394 1.00 1.00 N ATOM 506 CA TYR A 33 15.602 -9.171 4.428 1.00 1.00 C ATOM 507 C TYR A 33 16.774 -8.168 4.421 1.00 1.00 C ATOM 508 O TYR A 33 17.794 -8.395 5.084 1.00 1.00 O ATOM 509 CB TYR A 33 14.547 -8.922 5.525 1.00 1.00 C ATOM 510 CG TYR A 33 15.035 -8.332 6.840 1.00 1.00 C ATOM 511 CD1 TYR A 33 15.911 -9.066 7.675 1.00 1.00 C ATOM 512 CD2 TYR A 33 14.614 -7.038 7.231 1.00 1.00 C ATOM 513 CE1 TYR A 33 16.375 -8.509 8.888 1.00 1.00 C ATOM 514 CE2 TYR A 33 15.073 -6.478 8.443 1.00 1.00 C ATOM 515 CZ TYR A 33 15.956 -7.214 9.274 1.00 1.00 C ATOM 516 OH TYR A 33 16.367 -6.694 10.458 1.00 1.00 O ATOM 0 H TYR A 33 16.490 -10.883 5.258 1.00 1.00 H new ATOM 0 HA TYR A 33 15.092 -8.973 3.485 1.00 1.00 H new ATOM 0 HB2 TYR A 33 13.787 -8.255 5.117 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.056 -9.870 5.742 1.00 1.00 H new ATOM 0 HD1 TYR A 33 16.226 -10.057 7.384 1.00 1.00 H new ATOM 0 HD2 TYR A 33 13.940 -6.478 6.600 1.00 1.00 H new ATOM 0 HE1 TYR A 33 17.048 -9.071 9.519 1.00 1.00 H new ATOM 0 HE2 TYR A 33 14.752 -5.490 8.737 1.00 1.00 H new ATOM 0 HH TYR A 33 15.861 -5.877 10.649 1.00 1.00 H new ATOM 526 N GLN A 34 16.659 -7.077 3.658 1.00 1.00 N ATOM 527 CA GLN A 34 17.679 -6.012 3.531 1.00 1.00 C ATOM 528 C GLN A 34 17.068 -4.621 3.795 1.00 1.00 C ATOM 529 O GLN A 34 16.061 -4.254 3.180 1.00 1.00 O ATOM 530 CB GLN A 34 18.265 -6.064 2.110 1.00 1.00 C ATOM 531 CG GLN A 34 19.492 -5.163 1.880 1.00 1.00 C ATOM 532 CD GLN A 34 19.848 -5.001 0.400 1.00 1.00 C ATOM 533 OE1 GLN A 34 19.860 -5.930 -0.387 1.00 1.00 O ATOM 534 NE2 GLN A 34 20.151 -3.805 -0.042 1.00 1.00 N ATOM 0 H GLN A 34 15.830 -6.898 3.091 1.00 1.00 H new ATOM 0 HA GLN A 34 18.461 -6.177 4.272 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.542 -7.094 1.885 1.00 1.00 H new ATOM 0 HB3 GLN A 34 17.487 -5.781 1.401 1.00 1.00 H new ATOM 0 HG2 GLN A 34 19.300 -4.180 2.311 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.348 -5.582 2.410 1.00 1.00 H new ATOM 0 HE21 GLN A 34 20.148 -3.010 0.596 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.389 -3.670 -1.024 1.00 1.00 H new ATOM 543 N TYR A 35 17.710 -3.812 4.649 1.00 1.00 N ATOM 544 CA TYR A 35 17.251 -2.474 5.060 1.00 1.00 C ATOM 545 C TYR A 35 18.114 -1.300 4.531 1.00 1.00 C ATOM 546 O TYR A 35 19.335 -1.273 4.705 1.00 1.00 O ATOM 547 CB TYR A 35 17.035 -2.369 6.579 1.00 1.00 C ATOM 548 CG TYR A 35 16.512 -0.986 6.924 1.00 1.00 C ATOM 549 CD1 TYR A 35 15.302 -0.559 6.333 1.00 1.00 C ATOM 550 CD2 TYR A 35 17.343 -0.046 7.579 1.00 1.00 C ATOM 551 CE1 TYR A 35 14.952 0.808 6.333 1.00 1.00 C ATOM 552 CE2 TYR A 35 16.975 1.318 7.620 1.00 1.00 C ATOM 553 CZ TYR A 35 15.776 1.752 6.989 1.00 1.00 C ATOM 554 OH TYR A 35 15.411 3.062 7.015 1.00 1.00 O ATOM 0 H TYR A 35 18.592 -4.078 5.088 1.00 1.00 H new ATOM 0 HA TYR A 35 16.283 -2.364 4.571 1.00 1.00 H new ATOM 0 HB2 TYR A 35 16.327 -3.129 6.909 1.00 1.00 H new ATOM 0 HB3 TYR A 35 17.972 -2.556 7.104 1.00 1.00 H new ATOM 0 HD1 TYR A 35 14.641 -1.283 5.879 1.00 1.00 H new ATOM 0 HD2 TYR A 35 18.260 -0.371 8.048 1.00 1.00 H new ATOM 0 HE1 TYR A 35 14.053 1.134 5.831 1.00 1.00 H new ATOM 0 HE2 TYR A 35 17.605 2.032 8.131 1.00 1.00 H new ATOM 0 HH TYR A 35 16.040 3.566 7.572 1.00 1.00 H new ATOM 564 N VAL A 36 17.468 -0.334 3.862 1.00 1.00 N ATOM 565 CA VAL A 36 18.067 0.865 3.223 1.00 1.00 C ATOM 566 C VAL A 36 17.228 2.138 3.511 1.00 1.00 C ATOM 567 O VAL A 36 16.059 2.184 3.123 1.00 1.00 O ATOM 568 CB VAL A 36 18.195 0.643 1.679 1.00 1.00 C ATOM 569 CG1 VAL A 36 18.970 1.803 1.039 1.00 1.00 C ATOM 570 CG2 VAL A 36 18.895 -0.680 1.286 1.00 1.00 C ATOM 0 H VAL A 36 16.456 -0.362 3.741 1.00 1.00 H new ATOM 0 HA VAL A 36 19.059 1.013 3.649 1.00 1.00 H new ATOM 0 HB VAL A 36 17.171 0.593 1.310 1.00 1.00 H new ATOM 0 HG11 VAL A 36 19.052 1.637 -0.035 1.00 1.00 H new ATOM 0 HG12 VAL A 36 18.441 2.739 1.222 1.00 1.00 H new ATOM 0 HG13 VAL A 36 19.967 1.859 1.475 1.00 1.00 H new ATOM 0 HG21 VAL A 36 18.943 -0.757 0.200 1.00 1.00 H new ATOM 0 HG22 VAL A 36 19.905 -0.693 1.696 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.330 -1.523 1.685 1.00 1.00 H new ATOM 580 N ASP A 37 17.734 3.167 4.190 1.00 1.00 N ATOM 581 CA ASP A 37 17.067 4.495 4.274 1.00 1.00 C ATOM 582 C ASP A 37 17.135 5.370 3.003 1.00 1.00 C ATOM 583 O ASP A 37 18.032 5.209 2.169 1.00 1.00 O ATOM 584 CB ASP A 37 17.377 5.321 5.554 1.00 1.00 C ATOM 585 CG ASP A 37 18.119 4.618 6.677 1.00 1.00 C ATOM 586 OD1 ASP A 37 19.253 4.140 6.485 1.00 1.00 O ATOM 587 OD2 ASP A 37 17.516 4.515 7.774 1.00 1.00 O ATOM 0 H ASP A 37 18.615 3.118 4.701 1.00 1.00 H new ATOM 0 HA ASP A 37 16.025 4.185 4.358 1.00 1.00 H new ATOM 0 HB2 ASP A 37 17.961 6.193 5.259 1.00 1.00 H new ATOM 0 HB3 ASP A 37 16.432 5.690 5.954 1.00 1.00 H new ATOM 592 N ILE A 38 16.206 6.331 2.886 1.00 1.00 N ATOM 593 CA ILE A 38 16.101 7.305 1.773 1.00 1.00 C ATOM 594 C ILE A 38 16.186 8.766 2.264 1.00 1.00 C ATOM 595 O ILE A 38 17.061 9.497 1.808 1.00 1.00 O ATOM 596 CB ILE A 38 14.927 6.962 0.806 1.00 1.00 C ATOM 597 CG1 ILE A 38 13.496 7.167 1.383 1.00 1.00 C ATOM 598 CG2 ILE A 38 15.092 5.520 0.271 1.00 1.00 C ATOM 599 CD1 ILE A 38 12.877 8.547 1.094 1.00 1.00 C ATOM 0 H ILE A 38 15.477 6.461 3.587 1.00 1.00 H new ATOM 0 HA ILE A 38 16.984 7.207 1.141 1.00 1.00 H new ATOM 0 HB ILE A 38 15.002 7.689 -0.002 1.00 1.00 H new ATOM 0 HG12 ILE A 38 12.841 6.397 0.975 1.00 1.00 H new ATOM 0 HG13 ILE A 38 13.529 7.018 2.462 1.00 1.00 H new ATOM 0 HG21 ILE A 38 14.269 5.286 -0.404 1.00 1.00 H new ATOM 0 HG22 ILE A 38 16.037 5.437 -0.266 1.00 1.00 H new ATOM 0 HG23 ILE A 38 15.087 4.819 1.106 1.00 1.00 H new ATOM 0 HD11 ILE A 38 11.881 8.598 1.534 1.00 1.00 H new ATOM 0 HD12 ILE A 38 13.505 9.325 1.527 1.00 1.00 H new ATOM 0 HD13 ILE A 38 12.806 8.695 0.016 1.00 1.00 H new ATOM 611 N ARG A 39 15.414 9.172 3.292 1.00 1.00 N ATOM 612 CA ARG A 39 15.517 10.490 3.988 1.00 1.00 C ATOM 613 C ARG A 39 16.865 10.711 4.730 1.00 1.00 C ATOM 614 O ARG A 39 17.382 11.831 4.755 1.00 1.00 O ATOM 615 CB ARG A 39 14.292 10.712 4.921 1.00 1.00 C ATOM 616 CG ARG A 39 14.278 12.099 5.611 1.00 1.00 C ATOM 617 CD ARG A 39 12.918 12.540 6.207 1.00 1.00 C ATOM 618 NE ARG A 39 12.598 13.955 5.870 1.00 1.00 N ATOM 619 CZ ARG A 39 11.414 14.505 5.693 1.00 1.00 C ATOM 620 NH1 ARG A 39 10.311 14.055 6.182 1.00 1.00 N ATOM 621 NH2 ARG A 39 11.279 15.563 4.981 1.00 1.00 N ATOM 0 H ARG A 39 14.678 8.582 3.679 1.00 1.00 H new ATOM 0 HA ARG A 39 15.503 11.252 3.209 1.00 1.00 H new ATOM 0 HB2 ARG A 39 13.378 10.596 4.339 1.00 1.00 H new ATOM 0 HB3 ARG A 39 14.284 9.935 5.686 1.00 1.00 H new ATOM 0 HG2 ARG A 39 15.019 12.094 6.410 1.00 1.00 H new ATOM 0 HG3 ARG A 39 14.596 12.848 4.886 1.00 1.00 H new ATOM 0 HD2 ARG A 39 12.128 11.889 5.831 1.00 1.00 H new ATOM 0 HD3 ARG A 39 12.940 12.421 7.290 1.00 1.00 H new ATOM 0 HE ARG A 39 13.398 14.578 5.762 1.00 1.00 H new ATOM 0 HH11 ARG A 39 10.314 13.211 6.755 1.00 1.00 H new ATOM 0 HH12 ARG A 39 9.434 14.542 5.996 1.00 1.00 H new ATOM 0 HH21 ARG A 39 12.095 15.990 4.543 1.00 1.00 H new ATOM 0 HH22 ARG A 39 10.356 15.977 4.853 1.00 1.00 H new ATOM 635 N ALA A 40 17.445 9.649 5.307 1.00 1.00 N ATOM 636 CA ALA A 40 18.743 9.657 6.021 1.00 1.00 C ATOM 637 C ALA A 40 20.009 9.504 5.122 1.00 1.00 C ATOM 638 O ALA A 40 21.042 10.103 5.422 1.00 1.00 O ATOM 639 CB ALA A 40 18.690 8.595 7.139 1.00 1.00 C ATOM 0 H ALA A 40 17.013 8.725 5.292 1.00 1.00 H new ATOM 0 HA ALA A 40 18.868 10.655 6.441 1.00 1.00 H new ATOM 0 HB1 ALA A 40 19.638 8.585 7.677 1.00 1.00 H new ATOM 0 HB2 ALA A 40 17.883 8.835 7.831 1.00 1.00 H new ATOM 0 HB3 ALA A 40 18.512 7.613 6.700 1.00 1.00 H new ATOM 645 N GLU A 41 19.932 8.762 4.007 1.00 1.00 N ATOM 646 CA GLU A 41 20.981 8.653 2.962 1.00 1.00 C ATOM 647 C GLU A 41 20.986 9.780 1.895 1.00 1.00 C ATOM 648 O GLU A 41 22.056 10.185 1.437 1.00 1.00 O ATOM 649 CB GLU A 41 20.889 7.268 2.284 1.00 1.00 C ATOM 650 CG GLU A 41 22.178 6.830 1.558 1.00 1.00 C ATOM 651 CD GLU A 41 23.385 6.489 2.461 1.00 1.00 C ATOM 652 OE1 GLU A 41 23.363 6.710 3.690 1.00 1.00 O ATOM 653 OE2 GLU A 41 24.377 5.930 1.931 1.00 1.00 O ATOM 0 H GLU A 41 19.110 8.197 3.793 1.00 1.00 H new ATOM 0 HA GLU A 41 21.929 8.773 3.487 1.00 1.00 H new ATOM 0 HB2 GLU A 41 20.640 6.523 3.039 1.00 1.00 H new ATOM 0 HB3 GLU A 41 20.068 7.281 1.567 1.00 1.00 H new ATOM 0 HG2 GLU A 41 21.948 5.956 0.948 1.00 1.00 H new ATOM 0 HG3 GLU A 41 22.475 7.626 0.875 1.00 1.00 H new ATOM 660 N GLY A 42 19.816 10.309 1.505 1.00 1.00 N ATOM 661 CA GLY A 42 19.618 11.356 0.479 1.00 1.00 C ATOM 662 C GLY A 42 19.058 10.835 -0.862 1.00 1.00 C ATOM 663 O GLY A 42 19.683 11.028 -1.906 1.00 1.00 O ATOM 0 H GLY A 42 18.933 10.005 1.916 1.00 1.00 H new ATOM 0 HA2 GLY A 42 18.938 12.111 0.874 1.00 1.00 H new ATOM 0 HA3 GLY A 42 20.571 11.851 0.293 1.00 1.00 H new ATOM 667 N ILE A 43 17.904 10.156 -0.821 1.00 1.00 N ATOM 668 CA ILE A 43 17.165 9.504 -1.930 1.00 1.00 C ATOM 669 C ILE A 43 15.652 9.833 -1.847 1.00 1.00 C ATOM 670 O ILE A 43 15.101 10.100 -0.774 1.00 1.00 O ATOM 671 CB ILE A 43 17.412 7.965 -1.915 1.00 1.00 C ATOM 672 CG1 ILE A 43 18.911 7.540 -1.917 1.00 1.00 C ATOM 673 CG2 ILE A 43 16.663 7.261 -3.073 1.00 1.00 C ATOM 674 CD1 ILE A 43 19.129 6.116 -1.375 1.00 1.00 C ATOM 0 H ILE A 43 17.413 10.033 0.065 1.00 1.00 H new ATOM 0 HA ILE A 43 17.538 9.896 -2.876 1.00 1.00 H new ATOM 0 HB ILE A 43 17.008 7.637 -0.957 1.00 1.00 H new ATOM 0 HG12 ILE A 43 19.299 7.600 -2.934 1.00 1.00 H new ATOM 0 HG13 ILE A 43 19.484 8.245 -1.315 1.00 1.00 H new ATOM 0 HG21 ILE A 43 16.857 6.189 -3.033 1.00 1.00 H new ATOM 0 HG22 ILE A 43 15.592 7.440 -2.976 1.00 1.00 H new ATOM 0 HG23 ILE A 43 17.012 7.658 -4.026 1.00 1.00 H new ATOM 0 HD11 ILE A 43 20.192 5.876 -1.401 1.00 1.00 H new ATOM 0 HD12 ILE A 43 18.769 6.059 -0.348 1.00 1.00 H new ATOM 0 HD13 ILE A 43 18.581 5.404 -1.992 1.00 1.00 H new ATOM 686 N THR A 44 14.951 9.754 -2.990 1.00 1.00 N ATOM 687 CA THR A 44 13.554 10.222 -3.180 1.00 1.00 C ATOM 688 C THR A 44 12.692 9.387 -4.162 1.00 1.00 C ATOM 689 O THR A 44 13.203 8.606 -4.970 1.00 1.00 O ATOM 690 CB THR A 44 13.620 11.705 -3.621 1.00 1.00 C ATOM 691 OG1 THR A 44 12.334 12.267 -3.672 1.00 1.00 O ATOM 692 CG2 THR A 44 14.331 11.928 -4.961 1.00 1.00 C ATOM 0 H THR A 44 15.347 9.351 -3.839 1.00 1.00 H new ATOM 0 HA THR A 44 13.039 10.096 -2.228 1.00 1.00 H new ATOM 0 HB THR A 44 14.221 12.205 -2.861 1.00 1.00 H new ATOM 0 HG1 THR A 44 12.056 12.363 -4.607 1.00 1.00 H new ATOM 0 HG21 THR A 44 14.335 12.992 -5.198 1.00 1.00 H new ATOM 0 HG22 THR A 44 15.357 11.568 -4.893 1.00 1.00 H new ATOM 0 HG23 THR A 44 13.807 11.383 -5.746 1.00 1.00 H new ATOM 700 N LYS A 45 11.365 9.612 -4.153 1.00 1.00 N ATOM 701 CA LYS A 45 10.321 9.125 -5.101 1.00 1.00 C ATOM 702 C LYS A 45 10.762 9.127 -6.574 1.00 1.00 C ATOM 703 O LYS A 45 10.570 8.132 -7.275 1.00 1.00 O ATOM 704 CB LYS A 45 9.048 9.993 -4.869 1.00 1.00 C ATOM 705 CG LYS A 45 7.844 9.906 -5.834 1.00 1.00 C ATOM 706 CD LYS A 45 8.002 10.710 -7.150 1.00 1.00 C ATOM 707 CE LYS A 45 6.664 11.124 -7.795 1.00 1.00 C ATOM 708 NZ LYS A 45 5.997 12.257 -7.101 1.00 1.00 N ATOM 0 H LYS A 45 10.950 10.189 -3.422 1.00 1.00 H new ATOM 0 HA LYS A 45 10.120 8.074 -4.895 1.00 1.00 H new ATOM 0 HB2 LYS A 45 8.677 9.757 -3.872 1.00 1.00 H new ATOM 0 HB3 LYS A 45 9.369 11.034 -4.851 1.00 1.00 H new ATOM 0 HG2 LYS A 45 7.672 8.859 -6.084 1.00 1.00 H new ATOM 0 HG3 LYS A 45 6.954 10.260 -5.314 1.00 1.00 H new ATOM 0 HD2 LYS A 45 8.589 11.606 -6.948 1.00 1.00 H new ATOM 0 HD3 LYS A 45 8.568 10.112 -7.864 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.841 11.399 -8.835 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.992 10.266 -7.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 5.140 12.528 -7.624 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 5.737 11.969 -6.136 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 6.647 13.068 -7.057 1.00 1.00 H new ATOM 722 N GLU A 46 11.355 10.237 -7.016 1.00 1.00 N ATOM 723 CA GLU A 46 11.837 10.528 -8.380 1.00 1.00 C ATOM 724 C GLU A 46 12.918 9.519 -8.858 1.00 1.00 C ATOM 725 O GLU A 46 12.934 9.161 -10.036 1.00 1.00 O ATOM 726 CB GLU A 46 12.396 11.971 -8.429 1.00 1.00 C ATOM 727 CG GLU A 46 11.325 13.082 -8.300 1.00 1.00 C ATOM 728 CD GLU A 46 11.061 13.540 -6.843 1.00 1.00 C ATOM 729 OE1 GLU A 46 11.129 12.731 -5.889 1.00 1.00 O ATOM 730 OE2 GLU A 46 10.792 14.741 -6.603 1.00 1.00 O ATOM 0 H GLU A 46 11.527 11.021 -6.386 1.00 1.00 H new ATOM 0 HA GLU A 46 10.990 10.429 -9.059 1.00 1.00 H new ATOM 0 HB2 GLU A 46 13.124 12.092 -7.627 1.00 1.00 H new ATOM 0 HB3 GLU A 46 12.931 12.108 -9.369 1.00 1.00 H new ATOM 0 HG2 GLU A 46 11.638 13.944 -8.889 1.00 1.00 H new ATOM 0 HG3 GLU A 46 10.391 12.723 -8.732 1.00 1.00 H new ATOM 737 N ASP A 47 13.784 9.030 -7.956 1.00 1.00 N ATOM 738 CA ASP A 47 14.745 7.923 -8.144 1.00 1.00 C ATOM 739 C ASP A 47 14.023 6.547 -8.161 1.00 1.00 C ATOM 740 O ASP A 47 14.130 5.757 -9.107 1.00 1.00 O ATOM 741 CB ASP A 47 15.788 7.960 -6.987 1.00 1.00 C ATOM 742 CG ASP A 47 16.966 6.989 -7.173 1.00 1.00 C ATOM 743 OD1 ASP A 47 17.246 6.518 -8.291 1.00 1.00 O ATOM 744 OD2 ASP A 47 17.611 6.639 -6.157 1.00 1.00 O ATOM 0 H ASP A 47 13.838 9.420 -7.015 1.00 1.00 H new ATOM 0 HA ASP A 47 15.244 8.049 -9.105 1.00 1.00 H new ATOM 0 HB2 ASP A 47 16.178 8.974 -6.896 1.00 1.00 H new ATOM 0 HB3 ASP A 47 15.283 7.727 -6.049 1.00 1.00 H new ATOM 749 N LEU A 48 13.262 6.277 -7.088 1.00 1.00 N ATOM 750 CA LEU A 48 12.605 5.005 -6.763 1.00 1.00 C ATOM 751 C LEU A 48 11.639 4.509 -7.858 1.00 1.00 C ATOM 752 O LEU A 48 11.731 3.338 -8.226 1.00 1.00 O ATOM 753 CB LEU A 48 11.955 5.131 -5.365 1.00 1.00 C ATOM 754 CG LEU A 48 12.991 5.160 -4.209 1.00 1.00 C ATOM 755 CD1 LEU A 48 12.380 5.723 -2.923 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.550 3.754 -3.927 1.00 1.00 C ATOM 0 H LEU A 48 13.079 6.988 -6.380 1.00 1.00 H new ATOM 0 HA LEU A 48 13.358 4.218 -6.728 1.00 1.00 H new ATOM 0 HB2 LEU A 48 11.356 6.041 -5.331 1.00 1.00 H new ATOM 0 HB3 LEU A 48 11.273 4.295 -5.212 1.00 1.00 H new ATOM 0 HG LEU A 48 13.803 5.812 -4.531 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.133 5.729 -2.135 1.00 1.00 H new ATOM 0 HD12 LEU A 48 12.033 6.741 -3.100 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.539 5.101 -2.617 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.273 3.806 -3.113 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.734 3.088 -3.646 1.00 1.00 H new ATOM 0 HD23 LEU A 48 14.039 3.371 -4.822 1.00 1.00 H new ATOM 768 N GLN A 49 10.777 5.363 -8.441 1.00 1.00 N ATOM 769 CA GLN A 49 9.910 4.987 -9.587 1.00 1.00 C ATOM 770 C GLN A 49 10.689 4.506 -10.836 1.00 1.00 C ATOM 771 O GLN A 49 10.252 3.573 -11.508 1.00 1.00 O ATOM 772 CB GLN A 49 8.907 6.103 -9.951 1.00 1.00 C ATOM 773 CG GLN A 49 9.429 7.405 -10.588 1.00 1.00 C ATOM 774 CD GLN A 49 8.270 8.255 -11.116 1.00 1.00 C ATOM 775 OE1 GLN A 49 8.174 8.544 -12.297 1.00 1.00 O ATOM 776 NE2 GLN A 49 7.298 8.621 -10.308 1.00 1.00 N ATOM 0 H GLN A 49 10.658 6.329 -8.137 1.00 1.00 H new ATOM 0 HA GLN A 49 9.343 4.125 -9.236 1.00 1.00 H new ATOM 0 HB2 GLN A 49 8.174 5.675 -10.634 1.00 1.00 H new ATOM 0 HB3 GLN A 49 8.374 6.374 -9.040 1.00 1.00 H new ATOM 0 HG2 GLN A 49 9.997 7.973 -9.851 1.00 1.00 H new ATOM 0 HG3 GLN A 49 10.113 7.168 -11.403 1.00 1.00 H new ATOM 0 HE21 GLN A 49 7.348 8.395 -9.315 1.00 1.00 H new ATOM 0 HE22 GLN A 49 6.495 9.131 -10.675 1.00 1.00 H new ATOM 785 N GLN A 50 11.868 5.082 -11.119 1.00 1.00 N ATOM 786 CA GLN A 50 12.744 4.716 -12.249 1.00 1.00 C ATOM 787 C GLN A 50 13.390 3.327 -12.053 1.00 1.00 C ATOM 788 O GLN A 50 13.304 2.485 -12.952 1.00 1.00 O ATOM 789 CB GLN A 50 13.778 5.832 -12.523 1.00 1.00 C ATOM 790 CG GLN A 50 13.092 7.181 -12.845 1.00 1.00 C ATOM 791 CD GLN A 50 14.082 8.276 -13.234 1.00 1.00 C ATOM 792 OE1 GLN A 50 14.404 8.464 -14.397 1.00 1.00 O ATOM 793 NE2 GLN A 50 14.566 9.087 -12.333 1.00 1.00 N ATOM 0 H GLN A 50 12.252 5.838 -10.552 1.00 1.00 H new ATOM 0 HA GLN A 50 12.127 4.628 -13.143 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.424 5.951 -11.653 1.00 1.00 H new ATOM 0 HB3 GLN A 50 14.416 5.540 -13.357 1.00 1.00 H new ATOM 0 HG2 GLN A 50 12.381 7.036 -13.659 1.00 1.00 H new ATOM 0 HG3 GLN A 50 12.520 7.508 -11.977 1.00 1.00 H new ATOM 0 HE21 GLN A 50 14.321 8.963 -11.351 1.00 1.00 H new ATOM 0 HE22 GLN A 50 15.190 9.845 -12.611 1.00 1.00 H new ATOM 802 N LYS A 51 13.957 3.052 -10.865 1.00 1.00 N ATOM 803 CA LYS A 51 14.451 1.725 -10.387 1.00 1.00 C ATOM 804 C LYS A 51 13.356 0.639 -10.195 1.00 1.00 C ATOM 805 O LYS A 51 13.636 -0.553 -10.319 1.00 1.00 O ATOM 806 CB LYS A 51 15.249 1.947 -9.077 1.00 1.00 C ATOM 807 CG LYS A 51 16.595 2.662 -9.335 1.00 1.00 C ATOM 808 CD LYS A 51 17.276 3.109 -8.032 1.00 1.00 C ATOM 809 CE LYS A 51 18.684 3.673 -8.285 1.00 1.00 C ATOM 810 NZ LYS A 51 19.135 4.490 -7.137 1.00 1.00 N ATOM 0 H LYS A 51 14.096 3.782 -10.166 1.00 1.00 H new ATOM 0 HA LYS A 51 15.084 1.321 -11.177 1.00 1.00 H new ATOM 0 HB2 LYS A 51 14.651 2.538 -8.384 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.435 0.986 -8.598 1.00 1.00 H new ATOM 0 HG2 LYS A 51 17.261 1.993 -9.880 1.00 1.00 H new ATOM 0 HG3 LYS A 51 16.426 3.531 -9.971 1.00 1.00 H new ATOM 0 HD2 LYS A 51 16.664 3.867 -7.544 1.00 1.00 H new ATOM 0 HD3 LYS A 51 17.341 2.263 -7.348 1.00 1.00 H new ATOM 0 HE2 LYS A 51 19.384 2.855 -8.452 1.00 1.00 H new ATOM 0 HE3 LYS A 51 18.681 4.280 -9.190 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 19.854 5.170 -7.456 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 18.324 5.005 -6.738 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 19.544 3.870 -6.409 1.00 1.00 H new ATOM 824 N ALA A 52 12.108 1.043 -9.929 1.00 1.00 N ATOM 825 CA ALA A 52 10.909 0.199 -9.798 1.00 1.00 C ATOM 826 C ALA A 52 10.161 -0.147 -11.113 1.00 1.00 C ATOM 827 O ALA A 52 9.592 -1.234 -11.226 1.00 1.00 O ATOM 828 CB ALA A 52 9.948 0.922 -8.836 1.00 1.00 C ATOM 0 H ALA A 52 11.892 2.030 -9.790 1.00 1.00 H new ATOM 0 HA ALA A 52 11.253 -0.768 -9.430 1.00 1.00 H new ATOM 0 HB1 ALA A 52 9.043 0.328 -8.711 1.00 1.00 H new ATOM 0 HB2 ALA A 52 10.432 1.053 -7.868 1.00 1.00 H new ATOM 0 HB3 ALA A 52 9.688 1.897 -9.247 1.00 1.00 H new ATOM 834 N GLY A 53 10.106 0.777 -12.082 1.00 1.00 N ATOM 835 CA GLY A 53 9.276 0.722 -13.305 1.00 1.00 C ATOM 836 C GLY A 53 7.810 1.184 -13.127 1.00 1.00 C ATOM 837 O GLY A 53 7.219 1.759 -14.045 1.00 1.00 O ATOM 0 H GLY A 53 10.666 1.629 -12.037 1.00 1.00 H new ATOM 0 HA2 GLY A 53 9.745 1.340 -14.071 1.00 1.00 H new ATOM 0 HA3 GLY A 53 9.275 -0.302 -13.678 1.00 1.00 H new ATOM 841 N LYS A 54 7.235 0.958 -11.932 1.00 1.00 N ATOM 842 CA LYS A 54 5.941 1.490 -11.447 1.00 1.00 C ATOM 843 C LYS A 54 6.070 3.018 -11.206 1.00 1.00 C ATOM 844 O LYS A 54 6.948 3.411 -10.429 1.00 1.00 O ATOM 845 CB LYS A 54 5.545 0.754 -10.137 1.00 1.00 C ATOM 846 CG LYS A 54 4.268 1.273 -9.431 1.00 1.00 C ATOM 847 CD LYS A 54 2.936 0.754 -10.007 1.00 1.00 C ATOM 848 CE LYS A 54 1.769 1.543 -9.383 1.00 1.00 C ATOM 849 NZ LYS A 54 0.500 0.777 -9.364 1.00 1.00 N ATOM 0 H LYS A 54 7.685 0.364 -11.235 1.00 1.00 H new ATOM 0 HA LYS A 54 5.162 1.322 -12.191 1.00 1.00 H new ATOM 0 HB2 LYS A 54 5.407 -0.303 -10.364 1.00 1.00 H new ATOM 0 HB3 LYS A 54 6.378 0.824 -9.437 1.00 1.00 H new ATOM 0 HG2 LYS A 54 4.320 0.999 -8.377 1.00 1.00 H new ATOM 0 HG3 LYS A 54 4.265 2.362 -9.478 1.00 1.00 H new ATOM 0 HD2 LYS A 54 2.927 0.866 -11.091 1.00 1.00 H new ATOM 0 HD3 LYS A 54 2.825 -0.310 -9.796 1.00 1.00 H new ATOM 0 HE2 LYS A 54 2.032 1.826 -8.364 1.00 1.00 H new ATOM 0 HE3 LYS A 54 1.622 2.467 -9.942 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -0.249 1.356 -8.934 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 0.230 0.529 -10.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 0.628 -0.092 -8.808 1.00 1.00 H new ATOM 863 N PRO A 55 5.195 3.881 -11.773 1.00 1.00 N ATOM 864 CA PRO A 55 5.142 5.313 -11.446 1.00 1.00 C ATOM 865 C PRO A 55 4.606 5.529 -10.010 1.00 1.00 C ATOM 866 O PRO A 55 3.404 5.669 -9.773 1.00 1.00 O ATOM 867 CB PRO A 55 4.296 5.955 -12.553 1.00 1.00 C ATOM 868 CG PRO A 55 3.351 4.834 -12.979 1.00 1.00 C ATOM 869 CD PRO A 55 4.184 3.567 -12.777 1.00 1.00 C ATOM 0 HA PRO A 55 6.123 5.787 -11.427 1.00 1.00 H new ATOM 0 HB2 PRO A 55 3.748 6.823 -12.186 1.00 1.00 H new ATOM 0 HB3 PRO A 55 4.914 6.295 -13.384 1.00 1.00 H new ATOM 0 HG2 PRO A 55 2.446 4.820 -12.372 1.00 1.00 H new ATOM 0 HG3 PRO A 55 3.037 4.947 -14.017 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.555 2.740 -12.447 1.00 1.00 H new ATOM 0 HD3 PRO A 55 4.651 3.259 -13.712 1.00 1.00 H new ATOM 877 N VAL A 56 5.515 5.460 -9.028 1.00 1.00 N ATOM 878 CA VAL A 56 5.233 5.693 -7.594 1.00 1.00 C ATOM 879 C VAL A 56 5.130 7.191 -7.245 1.00 1.00 C ATOM 880 O VAL A 56 5.830 8.027 -7.819 1.00 1.00 O ATOM 881 CB VAL A 56 6.221 4.981 -6.636 1.00 1.00 C ATOM 882 CG1 VAL A 56 6.317 3.461 -6.895 1.00 1.00 C ATOM 883 CG2 VAL A 56 7.651 5.543 -6.595 1.00 1.00 C ATOM 0 H VAL A 56 6.494 5.235 -9.207 1.00 1.00 H new ATOM 0 HA VAL A 56 4.256 5.238 -7.434 1.00 1.00 H new ATOM 0 HB VAL A 56 5.768 5.184 -5.666 1.00 1.00 H new ATOM 0 HG11 VAL A 56 7.024 3.016 -6.194 1.00 1.00 H new ATOM 0 HG12 VAL A 56 5.336 3.006 -6.759 1.00 1.00 H new ATOM 0 HG13 VAL A 56 6.659 3.287 -7.915 1.00 1.00 H new ATOM 0 HG21 VAL A 56 8.249 4.965 -5.891 1.00 1.00 H new ATOM 0 HG22 VAL A 56 8.096 5.478 -7.588 1.00 1.00 H new ATOM 0 HG23 VAL A 56 7.623 6.585 -6.277 1.00 1.00 H new ATOM 893 N GLU A 57 4.311 7.508 -6.237 1.00 1.00 N ATOM 894 CA GLU A 57 4.066 8.867 -5.691 1.00 1.00 C ATOM 895 C GLU A 57 4.388 8.982 -4.180 1.00 1.00 C ATOM 896 O GLU A 57 4.939 9.990 -3.745 1.00 1.00 O ATOM 897 CB GLU A 57 2.591 9.264 -5.950 1.00 1.00 C ATOM 898 CG GLU A 57 2.348 10.005 -7.277 1.00 1.00 C ATOM 899 CD GLU A 57 2.947 11.425 -7.325 1.00 1.00 C ATOM 900 OE1 GLU A 57 2.844 12.173 -6.327 1.00 1.00 O ATOM 901 OE2 GLU A 57 3.507 11.820 -8.372 1.00 1.00 O ATOM 0 H GLU A 57 3.769 6.795 -5.748 1.00 1.00 H new ATOM 0 HA GLU A 57 4.742 9.550 -6.205 1.00 1.00 H new ATOM 0 HB2 GLU A 57 1.978 8.363 -5.935 1.00 1.00 H new ATOM 0 HB3 GLU A 57 2.249 9.895 -5.129 1.00 1.00 H new ATOM 0 HG2 GLU A 57 2.770 9.417 -8.092 1.00 1.00 H new ATOM 0 HG3 GLU A 57 1.274 10.069 -7.453 1.00 1.00 H new ATOM 908 N THR A 58 4.070 7.950 -3.386 1.00 1.00 N ATOM 909 CA THR A 58 4.229 7.861 -1.911 1.00 1.00 C ATOM 910 C THR A 58 4.903 6.547 -1.449 1.00 1.00 C ATOM 911 O THR A 58 5.451 5.789 -2.257 1.00 1.00 O ATOM 912 CB THR A 58 2.896 8.121 -1.164 1.00 1.00 C ATOM 913 OG1 THR A 58 1.929 7.132 -1.412 1.00 1.00 O ATOM 914 CG2 THR A 58 2.241 9.468 -1.474 1.00 1.00 C ATOM 0 H THR A 58 3.668 7.096 -3.773 1.00 1.00 H new ATOM 0 HA THR A 58 4.915 8.663 -1.638 1.00 1.00 H new ATOM 0 HB THR A 58 3.207 8.110 -0.119 1.00 1.00 H new ATOM 0 HG1 THR A 58 1.151 7.283 -0.836 1.00 1.00 H new ATOM 0 HG21 THR A 58 1.315 9.561 -0.907 1.00 1.00 H new ATOM 0 HG22 THR A 58 2.919 10.275 -1.197 1.00 1.00 H new ATOM 0 HG23 THR A 58 2.021 9.529 -2.540 1.00 1.00 H new ATOM 922 N VAL A 59 5.019 6.342 -0.129 1.00 1.00 N ATOM 923 CA VAL A 59 5.427 5.076 0.550 1.00 1.00 C ATOM 924 C VAL A 59 4.242 4.085 0.696 1.00 1.00 C ATOM 925 O VAL A 59 3.100 4.519 0.557 1.00 1.00 O ATOM 926 CB VAL A 59 6.046 5.328 1.959 1.00 1.00 C ATOM 927 CG1 VAL A 59 7.576 5.403 1.850 1.00 1.00 C ATOM 928 CG2 VAL A 59 5.439 6.526 2.708 1.00 1.00 C ATOM 0 H VAL A 59 4.823 7.086 0.540 1.00 1.00 H new ATOM 0 HA VAL A 59 6.187 4.636 -0.095 1.00 1.00 H new ATOM 0 HB VAL A 59 5.784 4.474 2.584 1.00 1.00 H new ATOM 0 HG11 VAL A 59 8.003 5.579 2.837 1.00 1.00 H new ATOM 0 HG12 VAL A 59 7.959 4.463 1.452 1.00 1.00 H new ATOM 0 HG13 VAL A 59 7.854 6.220 1.184 1.00 1.00 H new ATOM 0 HG21 VAL A 59 5.924 6.632 3.678 1.00 1.00 H new ATOM 0 HG22 VAL A 59 5.591 7.434 2.125 1.00 1.00 H new ATOM 0 HG23 VAL A 59 4.371 6.362 2.853 1.00 1.00 H new ATOM 938 N PRO A 60 4.473 2.786 1.002 1.00 1.00 N ATOM 939 CA PRO A 60 5.788 2.124 1.148 1.00 1.00 C ATOM 940 C PRO A 60 6.566 1.950 -0.178 1.00 1.00 C ATOM 941 O PRO A 60 6.035 2.176 -1.264 1.00 1.00 O ATOM 942 CB PRO A 60 5.467 0.792 1.828 1.00 1.00 C ATOM 943 CG PRO A 60 4.071 0.447 1.302 1.00 1.00 C ATOM 944 CD PRO A 60 3.396 1.803 1.123 1.00 1.00 C ATOM 0 HA PRO A 60 6.471 2.738 1.734 1.00 1.00 H new ATOM 0 HB2 PRO A 60 6.195 0.023 1.568 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.475 0.884 2.914 1.00 1.00 H new ATOM 0 HG2 PRO A 60 4.124 -0.100 0.360 1.00 1.00 H new ATOM 0 HG3 PRO A 60 3.524 -0.181 2.005 1.00 1.00 H new ATOM 0 HD2 PRO A 60 2.764 1.808 0.235 1.00 1.00 H new ATOM 0 HD3 PRO A 60 2.754 2.033 1.973 1.00 1.00 H new ATOM 952 N GLN A 61 7.850 1.581 -0.071 1.00 1.00 N ATOM 953 CA GLN A 61 8.798 1.330 -1.166 1.00 1.00 C ATOM 954 C GLN A 61 9.687 0.090 -0.908 1.00 1.00 C ATOM 955 O GLN A 61 10.814 0.156 -0.418 1.00 1.00 O ATOM 956 CB GLN A 61 9.590 2.617 -1.500 1.00 1.00 C ATOM 957 CG GLN A 61 8.742 3.716 -2.182 1.00 1.00 C ATOM 958 CD GLN A 61 7.965 3.239 -3.415 1.00 1.00 C ATOM 959 OE1 GLN A 61 8.376 2.385 -4.187 1.00 1.00 O ATOM 960 NE2 GLN A 61 6.795 3.754 -3.688 1.00 1.00 N ATOM 0 H GLN A 61 8.282 1.441 0.842 1.00 1.00 H new ATOM 0 HA GLN A 61 8.231 1.072 -2.060 1.00 1.00 H new ATOM 0 HB2 GLN A 61 10.016 3.019 -0.580 1.00 1.00 H new ATOM 0 HB3 GLN A 61 10.425 2.359 -2.152 1.00 1.00 H new ATOM 0 HG2 GLN A 61 8.036 4.117 -1.455 1.00 1.00 H new ATOM 0 HG3 GLN A 61 9.398 4.535 -2.475 1.00 1.00 H new ATOM 0 HE21 GLN A 61 6.399 4.471 -3.080 1.00 1.00 H new ATOM 0 HE22 GLN A 61 6.278 3.439 -4.509 1.00 1.00 H new ATOM 969 N ILE A 62 9.136 -1.075 -1.245 1.00 1.00 N ATOM 970 CA ILE A 62 9.704 -2.441 -1.132 1.00 1.00 C ATOM 971 C ILE A 62 9.899 -3.151 -2.501 1.00 1.00 C ATOM 972 O ILE A 62 9.249 -2.856 -3.510 1.00 1.00 O ATOM 973 CB ILE A 62 8.877 -3.254 -0.086 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.165 -2.665 1.322 1.00 1.00 C ATOM 975 CG2 ILE A 62 9.133 -4.780 -0.111 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.341 -3.184 2.504 1.00 1.00 C ATOM 0 H ILE A 62 8.196 -1.103 -1.641 1.00 1.00 H new ATOM 0 HA ILE A 62 10.726 -2.367 -0.759 1.00 1.00 H new ATOM 0 HB ILE A 62 7.824 -3.151 -0.350 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.217 -2.839 1.547 1.00 1.00 H new ATOM 0 HG13 ILE A 62 9.025 -1.585 1.267 1.00 1.00 H new ATOM 0 HG21 ILE A 62 8.518 -5.265 0.647 1.00 1.00 H new ATOM 0 HG22 ILE A 62 8.877 -5.176 -1.094 1.00 1.00 H new ATOM 0 HG23 ILE A 62 10.185 -4.976 0.096 1.00 1.00 H new ATOM 0 HD11 ILE A 62 8.657 -2.679 3.417 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.284 -2.985 2.326 1.00 1.00 H new ATOM 0 HD13 ILE A 62 8.495 -4.258 2.611 1.00 1.00 H new ATOM 988 N PHE A 63 10.861 -4.083 -2.531 1.00 1.00 N ATOM 989 CA PHE A 63 11.227 -4.958 -3.656 1.00 1.00 C ATOM 990 C PHE A 63 11.356 -6.427 -3.169 1.00 1.00 C ATOM 991 O PHE A 63 12.043 -6.682 -2.178 1.00 1.00 O ATOM 992 CB PHE A 63 12.568 -4.485 -4.266 1.00 1.00 C ATOM 993 CG PHE A 63 12.564 -3.164 -5.040 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.426 -1.936 -4.345 1.00 1.00 C ATOM 995 CD2 PHE A 63 12.816 -3.131 -6.432 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.516 -0.703 -5.027 1.00 1.00 C ATOM 997 CE2 PHE A 63 12.915 -1.898 -7.116 1.00 1.00 C ATOM 998 CZ PHE A 63 12.764 -0.681 -6.415 1.00 1.00 C ATOM 0 H PHE A 63 11.445 -4.259 -1.714 1.00 1.00 H new ATOM 0 HA PHE A 63 10.448 -4.907 -4.416 1.00 1.00 H new ATOM 0 HB2 PHE A 63 13.294 -4.399 -3.457 1.00 1.00 H new ATOM 0 HB3 PHE A 63 12.927 -5.266 -4.936 1.00 1.00 H new ATOM 0 HD1 PHE A 63 12.250 -1.944 -3.280 1.00 1.00 H new ATOM 0 HD2 PHE A 63 12.934 -4.056 -6.977 1.00 1.00 H new ATOM 0 HE1 PHE A 63 12.395 0.224 -4.485 1.00 1.00 H new ATOM 0 HE2 PHE A 63 13.107 -1.886 -8.179 1.00 1.00 H new ATOM 0 HZ PHE A 63 12.838 0.261 -6.939 1.00 1.00 H new ATOM 1008 N VAL A 64 10.757 -7.394 -3.878 1.00 1.00 N ATOM 1009 CA VAL A 64 10.885 -8.866 -3.660 1.00 1.00 C ATOM 1010 C VAL A 64 11.633 -9.512 -4.846 1.00 1.00 C ATOM 1011 O VAL A 64 11.396 -9.181 -6.006 1.00 1.00 O ATOM 1012 CB VAL A 64 9.530 -9.575 -3.402 1.00 1.00 C ATOM 1013 CG1 VAL A 64 9.738 -11.058 -3.040 1.00 1.00 C ATOM 1014 CG2 VAL A 64 8.744 -8.938 -2.240 1.00 1.00 C ATOM 0 H VAL A 64 10.138 -7.175 -4.659 1.00 1.00 H new ATOM 0 HA VAL A 64 11.465 -9.000 -2.747 1.00 1.00 H new ATOM 0 HB VAL A 64 8.968 -9.471 -4.330 1.00 1.00 H new ATOM 0 HG11 VAL A 64 8.771 -11.529 -2.865 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.245 -11.565 -3.861 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.346 -11.131 -2.138 1.00 1.00 H new ATOM 0 HG21 VAL A 64 7.804 -9.472 -2.101 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.334 -8.998 -1.325 1.00 1.00 H new ATOM 0 HG23 VAL A 64 8.537 -7.893 -2.470 1.00 1.00 H new ATOM 1024 N ASP A 65 12.601 -10.386 -4.552 1.00 1.00 N ATOM 1025 CA ASP A 65 13.611 -10.986 -5.450 1.00 1.00 C ATOM 1026 C ASP A 65 14.103 -10.021 -6.569 1.00 1.00 C ATOM 1027 O ASP A 65 14.208 -10.368 -7.746 1.00 1.00 O ATOM 1028 CB ASP A 65 13.213 -12.428 -5.863 1.00 1.00 C ATOM 1029 CG ASP A 65 14.197 -13.446 -5.268 1.00 1.00 C ATOM 1030 OD1 ASP A 65 14.047 -13.857 -4.095 1.00 1.00 O ATOM 1031 OD2 ASP A 65 15.181 -13.800 -5.958 1.00 1.00 O ATOM 0 H ASP A 65 12.713 -10.726 -3.597 1.00 1.00 H new ATOM 0 HA ASP A 65 14.536 -11.129 -4.891 1.00 1.00 H new ATOM 0 HB2 ASP A 65 12.202 -12.646 -5.519 1.00 1.00 H new ATOM 0 HB3 ASP A 65 13.205 -12.513 -6.950 1.00 1.00 H new ATOM 1036 N GLN A 66 14.402 -8.777 -6.160 1.00 1.00 N ATOM 1037 CA GLN A 66 14.891 -7.607 -6.922 1.00 1.00 C ATOM 1038 C GLN A 66 13.871 -6.871 -7.844 1.00 1.00 C ATOM 1039 O GLN A 66 14.220 -5.832 -8.423 1.00 1.00 O ATOM 1040 CB GLN A 66 16.237 -7.944 -7.620 1.00 1.00 C ATOM 1041 CG GLN A 66 17.324 -8.569 -6.709 1.00 1.00 C ATOM 1042 CD GLN A 66 17.624 -7.737 -5.458 1.00 1.00 C ATOM 1043 OE1 GLN A 66 16.951 -7.788 -4.439 1.00 1.00 O ATOM 1044 NE2 GLN A 66 18.607 -6.872 -5.481 1.00 1.00 N ATOM 0 H GLN A 66 14.296 -8.536 -5.175 1.00 1.00 H new ATOM 0 HA GLN A 66 15.060 -6.838 -6.168 1.00 1.00 H new ATOM 0 HB2 GLN A 66 16.038 -8.632 -8.442 1.00 1.00 H new ATOM 0 HB3 GLN A 66 16.637 -7.030 -8.059 1.00 1.00 H new ATOM 0 HG2 GLN A 66 17.003 -9.565 -6.405 1.00 1.00 H new ATOM 0 HG3 GLN A 66 18.242 -8.691 -7.283 1.00 1.00 H new ATOM 0 HE21 GLN A 66 19.197 -6.792 -6.309 1.00 1.00 H new ATOM 0 HE22 GLN A 66 18.783 -6.278 -4.671 1.00 1.00 H new ATOM 1053 N GLN A 67 12.595 -7.291 -7.884 1.00 1.00 N ATOM 1054 CA GLN A 67 11.439 -6.622 -8.531 1.00 1.00 C ATOM 1055 C GLN A 67 10.660 -5.749 -7.516 1.00 1.00 C ATOM 1056 O GLN A 67 10.422 -6.174 -6.387 1.00 1.00 O ATOM 1057 CB GLN A 67 10.482 -7.689 -9.122 1.00 1.00 C ATOM 1058 CG GLN A 67 9.401 -7.095 -10.060 1.00 1.00 C ATOM 1059 CD GLN A 67 8.060 -7.827 -10.003 1.00 1.00 C ATOM 1060 OE1 GLN A 67 7.875 -8.904 -10.545 1.00 1.00 O ATOM 1061 NE2 GLN A 67 7.039 -7.259 -9.408 1.00 1.00 N ATOM 0 H GLN A 67 12.319 -8.165 -7.437 1.00 1.00 H new ATOM 0 HA GLN A 67 11.820 -5.979 -9.324 1.00 1.00 H new ATOM 0 HB2 GLN A 67 11.067 -8.425 -9.674 1.00 1.00 H new ATOM 0 HB3 GLN A 67 9.992 -8.219 -8.305 1.00 1.00 H new ATOM 0 HG2 GLN A 67 9.244 -6.048 -9.800 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.772 -7.116 -11.085 1.00 1.00 H new ATOM 0 HE21 GLN A 67 7.156 -6.358 -8.944 1.00 1.00 H new ATOM 0 HE22 GLN A 67 6.128 -7.718 -9.409 1.00 1.00 H new ATOM 1070 N HIS A 68 10.199 -4.548 -7.897 1.00 1.00 N ATOM 1071 CA HIS A 68 9.323 -3.691 -7.064 1.00 1.00 C ATOM 1072 C HIS A 68 7.972 -4.372 -6.739 1.00 1.00 C ATOM 1073 O HIS A 68 7.206 -4.722 -7.640 1.00 1.00 O ATOM 1074 CB HIS A 68 9.135 -2.317 -7.728 1.00 1.00 C ATOM 1075 CG HIS A 68 8.223 -1.380 -6.958 1.00 1.00 C ATOM 1076 ND1 HIS A 68 6.855 -1.269 -7.124 1.00 1.00 N ATOM 1077 CD2 HIS A 68 8.603 -0.461 -6.023 1.00 1.00 C ATOM 1078 CE1 HIS A 68 6.406 -0.307 -6.291 1.00 1.00 C ATOM 1079 NE2 HIS A 68 7.461 0.200 -5.617 1.00 1.00 N ATOM 0 H HIS A 68 10.423 -4.134 -8.802 1.00 1.00 H new ATOM 0 HA HIS A 68 9.818 -3.538 -6.105 1.00 1.00 H new ATOM 0 HB2 HIS A 68 10.110 -1.844 -7.844 1.00 1.00 H new ATOM 0 HB3 HIS A 68 8.729 -2.461 -8.729 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.608 -0.284 -5.668 1.00 1.00 H new ATOM 0 HE1 HIS A 68 5.378 0.005 -6.182 1.00 1.00 H new ATOM 0 HE2 HIS A 68 7.421 0.947 -4.924 1.00 1.00 H new ATOM 1088 N ILE A 69 7.688 -4.492 -5.439 1.00 1.00 N ATOM 1089 CA ILE A 69 6.438 -4.921 -4.774 1.00 1.00 C ATOM 1090 C ILE A 69 6.190 -3.919 -3.634 1.00 1.00 C ATOM 1091 O ILE A 69 6.752 -4.077 -2.552 1.00 1.00 O ATOM 1092 CB ILE A 69 6.526 -6.387 -4.255 1.00 1.00 C ATOM 1093 CG1 ILE A 69 6.747 -7.438 -5.376 1.00 1.00 C ATOM 1094 CG2 ILE A 69 5.294 -6.769 -3.400 1.00 1.00 C ATOM 1095 CD1 ILE A 69 5.648 -7.527 -6.450 1.00 1.00 C ATOM 0 H ILE A 69 8.401 -4.268 -4.745 1.00 1.00 H new ATOM 0 HA ILE A 69 5.605 -4.921 -5.477 1.00 1.00 H new ATOM 0 HB ILE A 69 7.415 -6.409 -3.625 1.00 1.00 H new ATOM 0 HG12 ILE A 69 7.693 -7.217 -5.871 1.00 1.00 H new ATOM 0 HG13 ILE A 69 6.852 -8.418 -4.911 1.00 1.00 H new ATOM 0 HG21 ILE A 69 5.394 -7.799 -3.057 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.229 -6.105 -2.538 1.00 1.00 H new ATOM 0 HG23 ILE A 69 4.390 -6.673 -4.001 1.00 1.00 H new ATOM 0 HD11 ILE A 69 5.912 -8.294 -7.178 1.00 1.00 H new ATOM 0 HD12 ILE A 69 4.699 -7.785 -5.979 1.00 1.00 H new ATOM 0 HD13 ILE A 69 5.553 -6.565 -6.954 1.00 1.00 H new ATOM 1107 N GLY A 70 5.400 -2.866 -3.905 1.00 1.00 N ATOM 1108 CA GLY A 70 5.141 -1.661 -3.082 1.00 1.00 C ATOM 1109 C GLY A 70 5.566 -1.676 -1.605 1.00 1.00 C ATOM 1110 O GLY A 70 6.329 -0.825 -1.160 1.00 1.00 O ATOM 0 H GLY A 70 4.879 -2.828 -4.781 1.00 1.00 H new ATOM 0 HA2 GLY A 70 5.639 -0.819 -3.562 1.00 1.00 H new ATOM 0 HA3 GLY A 70 4.070 -1.460 -3.117 1.00 1.00 H new ATOM 1114 N GLY A 71 5.062 -2.639 -0.834 1.00 1.00 N ATOM 1115 CA GLY A 71 5.244 -2.834 0.613 1.00 1.00 C ATOM 1116 C GLY A 71 3.946 -3.187 1.306 1.00 1.00 C ATOM 1117 O GLY A 71 3.116 -3.839 0.689 1.00 1.00 O ATOM 0 H GLY A 71 4.467 -3.365 -1.233 1.00 1.00 H new ATOM 0 HA2 GLY A 71 5.973 -3.627 0.783 1.00 1.00 H new ATOM 0 HA3 GLY A 71 5.654 -1.925 1.052 1.00 1.00 H new ATOM 1121 N TYR A 72 3.724 -2.701 2.532 1.00 1.00 N ATOM 1122 CA TYR A 72 2.618 -3.030 3.454 1.00 1.00 C ATOM 1123 C TYR A 72 1.304 -3.423 2.713 1.00 1.00 C ATOM 1124 O TYR A 72 0.918 -4.576 2.777 1.00 1.00 O ATOM 1125 CB TYR A 72 2.497 -1.828 4.418 1.00 1.00 C ATOM 1126 CG TYR A 72 1.596 -1.862 5.631 1.00 1.00 C ATOM 1127 CD1 TYR A 72 1.136 -3.073 6.195 1.00 1.00 C ATOM 1128 CD2 TYR A 72 1.381 -0.648 6.324 1.00 1.00 C ATOM 1129 CE1 TYR A 72 0.493 -3.077 7.452 1.00 1.00 C ATOM 1130 CE2 TYR A 72 0.689 -0.640 7.559 1.00 1.00 C ATOM 1131 CZ TYR A 72 0.259 -1.860 8.129 1.00 1.00 C ATOM 1132 OH TYR A 72 -0.308 -1.867 9.356 1.00 1.00 O ATOM 0 H TYR A 72 4.358 -2.015 2.942 1.00 1.00 H new ATOM 0 HA TYR A 72 2.826 -3.933 4.028 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.503 -1.612 4.779 1.00 1.00 H new ATOM 0 HB3 TYR A 72 2.184 -0.974 3.818 1.00 1.00 H new ATOM 0 HD1 TYR A 72 1.277 -4.001 5.661 1.00 1.00 H new ATOM 0 HD2 TYR A 72 1.747 0.279 5.908 1.00 1.00 H new ATOM 0 HE1 TYR A 72 0.180 -4.011 7.896 1.00 1.00 H new ATOM 0 HE2 TYR A 72 0.490 0.294 8.063 1.00 1.00 H new ATOM 0 HH TYR A 72 0.280 -2.334 9.986 1.00 1.00 H new ATOM 1142 N THR A 73 0.728 -2.529 1.898 1.00 1.00 N ATOM 1143 CA THR A 73 -0.398 -2.764 0.948 1.00 1.00 C ATOM 1144 C THR A 73 -0.270 -3.981 -0.013 1.00 1.00 C ATOM 1145 O THR A 73 -1.124 -4.869 -0.045 1.00 1.00 O ATOM 1146 CB THR A 73 -0.691 -1.459 0.151 1.00 1.00 C ATOM 1147 OG1 THR A 73 -1.601 -1.684 -0.901 1.00 1.00 O ATOM 1148 CG2 THR A 73 0.545 -0.758 -0.451 1.00 1.00 C ATOM 0 H THR A 73 1.046 -1.560 1.873 1.00 1.00 H new ATOM 0 HA THR A 73 -1.238 -3.040 1.586 1.00 1.00 H new ATOM 0 HB THR A 73 -1.108 -0.798 0.911 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.763 -0.844 -1.379 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.231 0.139 -0.985 1.00 1.00 H new ATOM 0 HG22 THR A 73 1.232 -0.482 0.349 1.00 1.00 H new ATOM 0 HG23 THR A 73 1.046 -1.435 -1.143 1.00 1.00 H new ATOM 1156 N ASP A 74 0.779 -3.990 -0.848 1.00 1.00 N ATOM 1157 CA ASP A 74 1.140 -4.933 -1.935 1.00 1.00 C ATOM 1158 C ASP A 74 1.611 -6.314 -1.377 1.00 1.00 C ATOM 1159 O ASP A 74 1.189 -7.385 -1.831 1.00 1.00 O ATOM 1160 CB ASP A 74 2.276 -4.252 -2.733 1.00 1.00 C ATOM 1161 CG ASP A 74 1.802 -3.359 -3.896 1.00 1.00 C ATOM 1162 OD1 ASP A 74 1.601 -3.800 -5.042 1.00 1.00 O ATOM 1163 OD2 ASP A 74 1.674 -2.132 -3.667 1.00 1.00 O ATOM 0 H ASP A 74 1.481 -3.254 -0.775 1.00 1.00 H new ATOM 0 HA ASP A 74 0.274 -5.143 -2.562 1.00 1.00 H new ATOM 0 HB2 ASP A 74 2.871 -3.647 -2.048 1.00 1.00 H new ATOM 0 HB3 ASP A 74 2.935 -5.024 -3.131 1.00 1.00 H new ATOM 1168 N PHE A 75 2.518 -6.273 -0.400 1.00 1.00 N ATOM 1169 CA PHE A 75 3.050 -7.336 0.479 1.00 1.00 C ATOM 1170 C PHE A 75 1.952 -8.071 1.273 1.00 1.00 C ATOM 1171 O PHE A 75 1.962 -9.300 1.315 1.00 1.00 O ATOM 1172 CB PHE A 75 4.099 -6.725 1.445 1.00 1.00 C ATOM 1173 CG PHE A 75 5.131 -7.701 1.980 1.00 1.00 C ATOM 1174 CD1 PHE A 75 6.154 -8.176 1.126 1.00 1.00 C ATOM 1175 CD2 PHE A 75 5.122 -8.083 3.343 1.00 1.00 C ATOM 1176 CE1 PHE A 75 7.169 -9.013 1.633 1.00 1.00 C ATOM 1177 CE2 PHE A 75 6.148 -8.910 3.853 1.00 1.00 C ATOM 1178 CZ PHE A 75 7.174 -9.364 2.998 1.00 1.00 C ATOM 0 H PHE A 75 2.958 -5.382 -0.171 1.00 1.00 H new ATOM 0 HA PHE A 75 3.516 -8.085 -0.161 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.619 -5.918 0.928 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.575 -6.277 2.289 1.00 1.00 H new ATOM 0 HD1 PHE A 75 6.157 -7.897 0.083 1.00 1.00 H new ATOM 0 HD2 PHE A 75 4.330 -7.742 3.994 1.00 1.00 H new ATOM 0 HE1 PHE A 75 7.942 -9.385 0.976 1.00 1.00 H new ATOM 0 HE2 PHE A 75 6.147 -9.194 4.895 1.00 1.00 H new ATOM 0 HZ PHE A 75 7.967 -9.983 3.391 1.00 1.00 H new ATOM 1188 N ALA A 76 0.994 -7.344 1.870 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.202 -7.907 2.505 1.00 1.00 C ATOM 1190 C ALA A 76 -1.037 -8.764 1.545 1.00 1.00 C ATOM 1191 O ALA A 76 -1.334 -9.901 1.906 1.00 1.00 O ATOM 1192 CB ALA A 76 -1.052 -6.797 3.119 1.00 1.00 C ATOM 0 H ALA A 76 1.033 -6.326 1.924 1.00 1.00 H new ATOM 0 HA ALA A 76 0.142 -8.573 3.297 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.936 -7.232 3.586 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.468 -6.265 3.871 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.359 -6.100 2.339 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.359 -8.265 0.339 1.00 1.00 N ATOM 1199 CA ALA A 77 -2.023 -9.030 -0.728 1.00 1.00 C ATOM 1200 C ALA A 77 -1.244 -10.314 -1.127 1.00 1.00 C ATOM 1201 O ALA A 77 -1.826 -11.396 -1.100 1.00 1.00 O ATOM 1202 CB ALA A 77 -2.268 -8.084 -1.918 1.00 1.00 C ATOM 0 H ALA A 77 -1.161 -7.300 0.075 1.00 1.00 H new ATOM 0 HA ALA A 77 -2.980 -9.401 -0.361 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -2.760 -8.631 -2.722 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -2.903 -7.257 -1.600 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -1.315 -7.694 -2.275 1.00 1.00 H new ATOM 1208 N TRP A 78 0.090 -10.240 -1.291 1.00 1.00 N ATOM 1209 CA TRP A 78 0.993 -11.399 -1.485 1.00 1.00 C ATOM 1210 C TRP A 78 0.883 -12.448 -0.350 1.00 1.00 C ATOM 1211 O TRP A 78 0.583 -13.612 -0.624 1.00 1.00 O ATOM 1212 CB TRP A 78 2.442 -10.915 -1.712 1.00 1.00 C ATOM 1213 CG TRP A 78 3.498 -11.987 -1.798 1.00 1.00 C ATOM 1214 CD1 TRP A 78 3.664 -12.856 -2.824 1.00 1.00 C ATOM 1215 CD2 TRP A 78 4.534 -12.327 -0.819 1.00 1.00 C ATOM 1216 NE1 TRP A 78 4.720 -13.710 -2.546 1.00 1.00 N ATOM 1217 CE2 TRP A 78 5.266 -13.454 -1.310 1.00 1.00 C ATOM 1218 CE3 TRP A 78 4.933 -11.800 0.437 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 6.313 -14.055 -0.585 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 5.982 -12.394 1.178 1.00 1.00 C ATOM 1221 CH2 TRP A 78 6.661 -13.526 0.678 1.00 1.00 C ATOM 0 H TRP A 78 0.587 -9.349 -1.293 1.00 1.00 H new ATOM 0 HA TRP A 78 0.669 -11.924 -2.384 1.00 1.00 H new ATOM 0 HB2 TRP A 78 2.468 -10.334 -2.634 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.708 -10.237 -0.901 1.00 1.00 H new ATOM 0 HD1 TRP A 78 3.065 -12.880 -3.722 1.00 1.00 H new ATOM 0 HE1 TRP A 78 5.051 -14.438 -3.179 1.00 1.00 H new ATOM 0 HE3 TRP A 78 4.428 -10.932 0.834 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 6.841 -14.906 -0.988 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 6.265 -11.978 2.134 1.00 1.00 H new ATOM 0 HH2 TRP A 78 7.445 -13.987 1.260 1.00 1.00 H new ATOM 1232 N VAL A 79 1.082 -12.061 0.925 1.00 1.00 N ATOM 1233 CA VAL A 79 0.897 -12.912 2.139 1.00 1.00 C ATOM 1234 C VAL A 79 -0.535 -13.471 2.271 1.00 1.00 C ATOM 1235 O VAL A 79 -0.697 -14.663 2.526 1.00 1.00 O ATOM 1236 CB VAL A 79 1.313 -12.182 3.446 1.00 1.00 C ATOM 1237 CG1 VAL A 79 1.002 -12.991 4.721 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.822 -11.880 3.467 1.00 1.00 C ATOM 0 H VAL A 79 1.387 -11.116 1.157 1.00 1.00 H new ATOM 0 HA VAL A 79 1.568 -13.759 1.996 1.00 1.00 H new ATOM 0 HB VAL A 79 0.725 -11.264 3.447 1.00 1.00 H new ATOM 0 HG11 VAL A 79 1.317 -12.425 5.597 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -0.070 -13.182 4.778 1.00 1.00 H new ATOM 0 HG13 VAL A 79 1.538 -13.939 4.690 1.00 1.00 H new ATOM 0 HG21 VAL A 79 3.078 -11.369 4.395 1.00 1.00 H new ATOM 0 HG22 VAL A 79 3.381 -12.813 3.401 1.00 1.00 H new ATOM 0 HG23 VAL A 79 3.077 -11.243 2.620 1.00 1.00 H new ATOM 1248 N LYS A 80 -1.579 -12.649 2.067 1.00 1.00 N ATOM 1249 CA LYS A 80 -3.010 -13.034 2.017 1.00 1.00 C ATOM 1250 C LYS A 80 -3.255 -14.155 0.996 1.00 1.00 C ATOM 1251 O LYS A 80 -3.671 -15.243 1.372 1.00 1.00 O ATOM 1252 CB LYS A 80 -3.911 -11.809 1.714 1.00 1.00 C ATOM 1253 CG LYS A 80 -4.703 -11.281 2.927 1.00 1.00 C ATOM 1254 CD LYS A 80 -5.756 -10.219 2.536 1.00 1.00 C ATOM 1255 CE LYS A 80 -7.121 -10.750 2.050 1.00 1.00 C ATOM 1256 NZ LYS A 80 -7.028 -11.913 1.142 1.00 1.00 N ATOM 0 H LYS A 80 -1.447 -11.648 1.925 1.00 1.00 H new ATOM 0 HA LYS A 80 -3.278 -13.415 3.002 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -3.288 -11.004 1.324 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -4.615 -12.078 0.926 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -5.201 -12.115 3.422 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -4.009 -10.850 3.649 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -5.928 -9.575 3.399 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -5.334 -9.593 1.750 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -7.721 -11.027 2.917 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -7.651 -9.946 1.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -7.985 -12.232 0.887 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -6.513 -11.641 0.281 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -6.521 -12.686 1.619 1.00 1.00 H new ATOM 1270 N GLU A 81 -2.949 -13.906 -0.276 1.00 1.00 N ATOM 1271 CA GLU A 81 -3.029 -14.869 -1.389 1.00 1.00 C ATOM 1272 C GLU A 81 -2.150 -16.146 -1.232 1.00 1.00 C ATOM 1273 O GLU A 81 -2.278 -17.068 -2.038 1.00 1.00 O ATOM 1274 CB GLU A 81 -2.900 -14.129 -2.742 1.00 1.00 C ATOM 1275 CG GLU A 81 -4.232 -13.484 -3.200 1.00 1.00 C ATOM 1276 CD GLU A 81 -4.788 -12.374 -2.282 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -4.493 -11.191 -2.501 1.00 1.00 O ATOM 1278 OE2 GLU A 81 -5.632 -12.663 -1.383 1.00 1.00 O ATOM 0 H GLU A 81 -2.623 -12.988 -0.580 1.00 1.00 H new ATOM 0 HA GLU A 81 -4.025 -15.312 -1.363 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -2.137 -13.355 -2.657 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -2.560 -14.830 -3.504 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -4.089 -13.068 -4.197 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -4.984 -14.269 -3.287 1.00 1.00 H new ATOM 1285 N ASN A 82 -1.243 -16.204 -0.238 1.00 1.00 N ATOM 1286 CA ASN A 82 -0.501 -17.393 0.222 1.00 1.00 C ATOM 1287 C ASN A 82 -1.267 -18.139 1.360 1.00 1.00 C ATOM 1288 O ASN A 82 -1.525 -19.337 1.232 1.00 1.00 O ATOM 1289 CB ASN A 82 0.924 -16.990 0.680 1.00 1.00 C ATOM 1290 CG ASN A 82 1.924 -16.871 -0.454 1.00 1.00 C ATOM 1291 OD1 ASN A 82 2.331 -17.840 -1.058 1.00 1.00 O ATOM 1292 ND2 ASN A 82 2.384 -15.696 -0.783 1.00 1.00 N ATOM 0 H ASN A 82 -0.994 -15.372 0.297 1.00 1.00 H new ATOM 0 HA ASN A 82 -0.414 -18.085 -0.616 1.00 1.00 H new ATOM 0 HB2 ASN A 82 0.870 -16.036 1.205 1.00 1.00 H new ATOM 0 HB3 ASN A 82 1.287 -17.728 1.396 1.00 1.00 H new ATOM 0 HD21 ASN A 82 3.070 -15.608 -1.533 1.00 1.00 H new ATOM 0 HD22 ASN A 82 2.058 -14.864 -0.290 1.00 1.00 H new ATOM 1299 N LEU A 83 -1.583 -17.446 2.472 1.00 1.00 N ATOM 1300 CA LEU A 83 -2.157 -17.957 3.736 1.00 1.00 C ATOM 1301 C LEU A 83 -3.707 -18.016 3.758 1.00 1.00 C ATOM 1302 O LEU A 83 -4.263 -19.098 3.960 1.00 1.00 O ATOM 1303 CB LEU A 83 -1.578 -17.147 4.922 1.00 1.00 C ATOM 1304 CG LEU A 83 -0.033 -17.026 4.970 1.00 1.00 C ATOM 1305 CD1 LEU A 83 0.410 -16.331 6.258 1.00 1.00 C ATOM 1306 CD2 LEU A 83 0.686 -18.377 4.870 1.00 1.00 C ATOM 0 H LEU A 83 -1.433 -16.438 2.515 1.00 1.00 H new ATOM 0 HA LEU A 83 -1.859 -19.001 3.830 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -2.001 -16.143 4.892 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -1.916 -17.607 5.850 1.00 1.00 H new ATOM 0 HG LEU A 83 0.245 -16.436 4.097 1.00 1.00 H new ATOM 0 HD11 LEU A 83 1.497 -16.255 6.275 1.00 1.00 H new ATOM 0 HD12 LEU A 83 -0.025 -15.332 6.301 1.00 1.00 H new ATOM 0 HD13 LEU A 83 0.074 -16.910 7.118 1.00 1.00 H new ATOM 0 HD21 LEU A 83 1.764 -18.219 4.910 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.381 -19.014 5.701 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.424 -18.860 3.928 1.00 1.00 H new ATOM 1318 N ASP A 84 -4.405 -16.892 3.530 1.00 1.00 N ATOM 1319 CA ASP A 84 -5.870 -16.773 3.280 1.00 1.00 C ATOM 1320 C ASP A 84 -6.318 -17.367 1.904 1.00 1.00 C ATOM 1321 O ASP A 84 -7.478 -17.239 1.510 1.00 1.00 O ATOM 1322 CB ASP A 84 -6.317 -15.287 3.406 1.00 1.00 C ATOM 1323 CG ASP A 84 -6.645 -14.815 4.828 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -7.246 -15.579 5.619 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -6.388 -13.632 5.135 1.00 1.00 O ATOM 0 H ASP A 84 -3.944 -15.982 3.512 1.00 1.00 H new ATOM 0 HA ASP A 84 -6.365 -17.372 4.044 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -5.527 -14.653 3.004 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.196 -15.136 2.780 1.00 1.00 H new ATOM 1330 N ALA A 85 -5.398 -18.013 1.166 1.00 1.00 N ATOM 1331 CA ALA A 85 -5.531 -18.601 -0.178 1.00 1.00 C ATOM 1332 C ALA A 85 -6.738 -19.552 -0.366 1.00 1.00 C ATOM 1333 O ALA A 85 -6.913 -20.484 0.469 1.00 1.00 O ATOM 1334 CB ALA A 85 -4.207 -19.296 -0.510 1.00 1.00 C ATOM 1335 OXT ALA A 85 -7.463 -19.369 -1.367 1.00 1.00 O ATOM 0 H ALA A 85 -4.455 -18.149 1.530 1.00 1.00 H new ATOM 0 HA ALA A 85 -5.743 -17.790 -0.874 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -4.270 -19.744 -1.502 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -3.398 -18.565 -0.493 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -4.009 -20.074 0.228 1.00 1.00 H new TER 1341 ALA A 85 ATOM 1342 N GLY B 126 -8.294 31.793 19.464 1.00 1.00 N ATOM 1343 CA GLY B 126 -8.379 32.400 20.803 1.00 1.00 C ATOM 1344 C GLY B 126 -7.367 31.719 21.689 1.00 1.00 C ATOM 1345 O GLY B 126 -6.212 32.124 21.654 1.00 1.00 O ATOM 0 HA2 GLY B 126 -8.179 33.470 20.749 1.00 1.00 H new ATOM 0 HA3 GLY B 126 -9.383 32.283 21.211 1.00 1.00 H new ATOM 1351 N ALA B 127 -7.810 30.741 22.475 1.00 1.00 N ATOM 1352 CA ALA B 127 -6.978 29.799 23.230 1.00 1.00 C ATOM 1353 C ALA B 127 -7.623 28.396 23.093 1.00 1.00 C ATOM 1354 O ALA B 127 -8.659 28.113 23.694 1.00 1.00 O ATOM 1355 CB ALA B 127 -6.840 30.289 24.684 1.00 1.00 C ATOM 0 H ALA B 127 -8.807 30.573 22.611 1.00 1.00 H new ATOM 0 HA ALA B 127 -5.961 29.736 22.843 1.00 1.00 H new ATOM 0 HB1 ALA B 127 -6.222 29.590 25.247 1.00 1.00 H new ATOM 0 HB2 ALA B 127 -6.374 31.274 24.693 1.00 1.00 H new ATOM 0 HB3 ALA B 127 -7.827 30.351 25.142 1.00 1.00 H new ATOM 1361 N GLU B 128 -7.022 27.540 22.263 1.00 1.00 N ATOM 1362 CA GLU B 128 -7.524 26.218 21.829 1.00 1.00 C ATOM 1363 C GLU B 128 -6.414 25.133 21.770 1.00 1.00 C ATOM 1364 O GLU B 128 -5.227 25.437 21.875 1.00 1.00 O ATOM 1365 CB GLU B 128 -8.241 26.346 20.455 1.00 1.00 C ATOM 1366 CG GLU B 128 -9.416 27.354 20.354 1.00 1.00 C ATOM 1367 CD GLU B 128 -9.005 28.835 20.202 1.00 1.00 C ATOM 1368 OE1 GLU B 128 -7.943 29.158 19.623 1.00 1.00 O ATOM 1369 OE2 GLU B 128 -9.745 29.756 20.631 1.00 1.00 O ATOM 0 H GLU B 128 -6.117 27.757 21.846 1.00 1.00 H new ATOM 0 HA GLU B 128 -8.236 25.885 22.584 1.00 1.00 H new ATOM 0 HB2 GLU B 128 -7.495 26.623 19.710 1.00 1.00 H new ATOM 0 HB3 GLU B 128 -8.617 25.361 20.178 1.00 1.00 H new ATOM 0 HG2 GLU B 128 -10.038 27.078 19.502 1.00 1.00 H new ATOM 0 HG3 GLU B 128 -10.035 27.256 21.246 1.00 1.00 H new ATOM 1376 N ASP B 129 -6.808 23.870 21.561 1.00 1.00 N ATOM 1377 CA ASP B 129 -5.933 22.712 21.288 1.00 1.00 C ATOM 1378 C ASP B 129 -6.534 21.773 20.204 1.00 1.00 C ATOM 1379 O ASP B 129 -7.748 21.560 20.138 1.00 1.00 O ATOM 1380 CB ASP B 129 -5.614 21.957 22.598 1.00 1.00 C ATOM 1381 CG ASP B 129 -4.598 20.814 22.411 1.00 1.00 C ATOM 1382 OD1 ASP B 129 -3.726 20.896 21.516 1.00 1.00 O ATOM 1383 OD2 ASP B 129 -4.680 19.802 23.141 1.00 1.00 O ATOM 0 H ASP B 129 -7.794 23.610 21.578 1.00 1.00 H new ATOM 0 HA ASP B 129 -4.994 23.087 20.880 1.00 1.00 H new ATOM 0 HB2 ASP B 129 -5.224 22.664 23.331 1.00 1.00 H new ATOM 0 HB3 ASP B 129 -6.538 21.549 23.008 1.00 1.00 H new ATOM 1388 N ALA B 130 -5.672 21.206 19.347 1.00 1.00 N ATOM 1389 CA ALA B 130 -6.014 20.415 18.156 1.00 1.00 C ATOM 1390 C ALA B 130 -5.785 18.893 18.369 1.00 1.00 C ATOM 1391 O ALA B 130 -4.706 18.369 18.094 1.00 1.00 O ATOM 1392 CB ALA B 130 -5.265 21.003 16.944 1.00 1.00 C ATOM 0 H ALA B 130 -4.663 21.292 19.473 1.00 1.00 H new ATOM 0 HA ALA B 130 -7.083 20.489 17.957 1.00 1.00 H new ATOM 0 HB1 ALA B 130 -5.508 20.427 16.051 1.00 1.00 H new ATOM 0 HB2 ALA B 130 -5.565 22.041 16.799 1.00 1.00 H new ATOM 0 HB3 ALA B 130 -4.191 20.958 17.123 1.00 1.00 H new ATOM 1398 N GLN B 131 -6.820 18.176 18.838 1.00 1.00 N ATOM 1399 CA GLN B 131 -6.839 16.720 19.109 1.00 1.00 C ATOM 1400 C GLN B 131 -7.617 15.906 18.052 1.00 1.00 C ATOM 1401 O GLN B 131 -8.613 16.375 17.491 1.00 1.00 O ATOM 1402 CB GLN B 131 -7.362 16.430 20.534 1.00 1.00 C ATOM 1403 CG GLN B 131 -6.470 16.998 21.655 1.00 1.00 C ATOM 1404 CD GLN B 131 -5.007 16.575 21.533 1.00 1.00 C ATOM 1405 OE1 GLN B 131 -4.665 15.445 21.208 1.00 1.00 O ATOM 1406 NE2 GLN B 131 -4.078 17.445 21.804 1.00 1.00 N ATOM 0 H GLN B 131 -7.716 18.615 19.051 1.00 1.00 H new ATOM 0 HA GLN B 131 -5.804 16.385 19.041 1.00 1.00 H new ATOM 0 HB2 GLN B 131 -8.364 16.847 20.634 1.00 1.00 H new ATOM 0 HB3 GLN B 131 -7.451 15.352 20.665 1.00 1.00 H new ATOM 0 HG2 GLN B 131 -6.529 18.086 21.641 1.00 1.00 H new ATOM 0 HG3 GLN B 131 -6.857 16.670 22.620 1.00 1.00 H new ATOM 0 HE21 GLN B 131 -4.332 18.394 22.078 1.00 1.00 H new ATOM 0 HE22 GLN B 131 -3.096 17.178 21.743 1.00 1.00 H new ATOM 1415 N ASP B 132 -7.124 14.703 17.736 1.00 1.00 N ATOM 1416 CA ASP B 132 -7.589 13.840 16.627 1.00 1.00 C ATOM 1417 C ASP B 132 -8.439 12.622 17.100 1.00 1.00 C ATOM 1418 O ASP B 132 -7.956 11.497 17.264 1.00 1.00 O ATOM 1419 CB ASP B 132 -6.367 13.432 15.777 1.00 1.00 C ATOM 1420 CG ASP B 132 -5.519 14.618 15.299 1.00 1.00 C ATOM 1421 OD1 ASP B 132 -6.087 15.533 14.652 1.00 1.00 O ATOM 1422 OD2 ASP B 132 -4.292 14.636 15.552 1.00 1.00 O ATOM 0 H ASP B 132 -6.359 14.281 18.263 1.00 1.00 H new ATOM 0 HA ASP B 132 -8.281 14.411 16.008 1.00 1.00 H new ATOM 0 HB2 ASP B 132 -5.738 12.760 16.361 1.00 1.00 H new ATOM 0 HB3 ASP B 132 -6.712 12.871 14.908 1.00 1.00 H new ATOM 1427 N ASP B 133 -9.743 12.837 17.268 1.00 1.00 N ATOM 1428 CA ASP B 133 -10.795 11.844 17.578 1.00 1.00 C ATOM 1429 C ASP B 133 -10.992 10.798 16.443 1.00 1.00 C ATOM 1430 O ASP B 133 -10.901 11.137 15.258 1.00 1.00 O ATOM 1431 CB ASP B 133 -12.095 12.639 17.836 1.00 1.00 C ATOM 1432 CG ASP B 133 -13.248 11.764 18.348 1.00 1.00 C ATOM 1433 OD1 ASP B 133 -13.165 11.245 19.478 1.00 1.00 O ATOM 1434 OD2 ASP B 133 -14.290 11.670 17.657 1.00 1.00 O ATOM 0 H ASP B 133 -10.131 13.777 17.187 1.00 1.00 H new ATOM 0 HA ASP B 133 -10.504 11.262 18.453 1.00 1.00 H new ATOM 0 HB2 ASP B 133 -11.894 13.426 18.563 1.00 1.00 H new ATOM 0 HB3 ASP B 133 -12.402 13.130 16.913 1.00 1.00 H new ATOM 1439 N LEU B 134 -11.267 9.537 16.807 1.00 1.00 N ATOM 1440 CA LEU B 134 -11.346 8.375 15.901 1.00 1.00 C ATOM 1441 C LEU B 134 -12.356 7.282 16.326 1.00 1.00 C ATOM 1442 O LEU B 134 -12.485 6.963 17.508 1.00 1.00 O ATOM 1443 CB LEU B 134 -9.918 7.814 15.668 1.00 1.00 C ATOM 1444 CG LEU B 134 -9.268 6.943 16.777 1.00 1.00 C ATOM 1445 CD1 LEU B 134 -7.882 6.459 16.315 1.00 1.00 C ATOM 1446 CD2 LEU B 134 -9.085 7.677 18.111 1.00 1.00 C ATOM 0 H LEU B 134 -11.448 9.286 17.779 1.00 1.00 H new ATOM 0 HA LEU B 134 -11.757 8.733 14.957 1.00 1.00 H new ATOM 0 HB2 LEU B 134 -9.941 7.221 14.754 1.00 1.00 H new ATOM 0 HB3 LEU B 134 -9.257 8.660 15.483 1.00 1.00 H new ATOM 0 HG LEU B 134 -9.956 6.114 16.942 1.00 1.00 H new ATOM 0 HD11 LEU B 134 -7.431 5.848 17.097 1.00 1.00 H new ATOM 0 HD12 LEU B 134 -7.988 5.866 15.407 1.00 1.00 H new ATOM 0 HD13 LEU B 134 -7.245 7.320 16.113 1.00 1.00 H new ATOM 0 HD21 LEU B 134 -8.626 7.005 18.836 1.00 1.00 H new ATOM 0 HD22 LEU B 134 -8.443 8.545 17.963 1.00 1.00 H new ATOM 0 HD23 LEU B 134 -10.056 8.003 18.483 1.00 1.00 H new ATOM 1458 N VAL B 135 -13.036 6.671 15.347 1.00 1.00 N ATOM 1459 CA VAL B 135 -13.925 5.477 15.446 1.00 1.00 C ATOM 1460 C VAL B 135 -13.350 4.117 14.928 1.00 1.00 C ATOM 1461 O VAL B 135 -13.818 3.084 15.430 1.00 1.00 O ATOM 1462 CB VAL B 135 -15.322 5.802 14.842 1.00 1.00 C ATOM 1463 CG1 VAL B 135 -15.315 5.909 13.307 1.00 1.00 C ATOM 1464 CG2 VAL B 135 -16.419 4.808 15.262 1.00 1.00 C ATOM 0 H VAL B 135 -12.984 7.014 14.388 1.00 1.00 H new ATOM 0 HA VAL B 135 -14.014 5.286 16.515 1.00 1.00 H new ATOM 0 HB VAL B 135 -15.558 6.780 15.261 1.00 1.00 H new ATOM 0 HG11 VAL B 135 -16.321 6.137 12.954 1.00 1.00 H new ATOM 0 HG12 VAL B 135 -14.634 6.703 13.001 1.00 1.00 H new ATOM 0 HG13 VAL B 135 -14.986 4.963 12.878 1.00 1.00 H new ATOM 0 HG21 VAL B 135 -17.365 5.096 14.804 1.00 1.00 H new ATOM 0 HG22 VAL B 135 -16.147 3.805 14.933 1.00 1.00 H new ATOM 0 HG23 VAL B 135 -16.523 4.818 16.347 1.00 1.00 H new ATOM 1474 N PRO B 136 -12.369 4.025 13.984 1.00 1.00 N ATOM 1475 CA PRO B 136 -11.777 2.747 13.536 1.00 1.00 C ATOM 1476 C PRO B 136 -10.732 2.136 14.510 1.00 1.00 C ATOM 1477 O PRO B 136 -10.321 2.733 15.504 1.00 1.00 O ATOM 1478 CB PRO B 136 -11.172 3.046 12.156 1.00 1.00 C ATOM 1479 CG PRO B 136 -10.705 4.485 12.307 1.00 1.00 C ATOM 1480 CD PRO B 136 -11.781 5.108 13.191 1.00 1.00 C ATOM 0 HA PRO B 136 -12.547 1.977 13.499 1.00 1.00 H new ATOM 0 HB2 PRO B 136 -10.347 2.374 11.920 1.00 1.00 H new ATOM 0 HB3 PRO B 136 -11.907 2.939 11.359 1.00 1.00 H new ATOM 0 HG2 PRO B 136 -9.720 4.542 12.770 1.00 1.00 H new ATOM 0 HG3 PRO B 136 -10.634 4.989 11.343 1.00 1.00 H new ATOM 0 HD2 PRO B 136 -11.352 5.871 13.840 1.00 1.00 H new ATOM 0 HD3 PRO B 136 -12.542 5.598 12.584 1.00 1.00 H new ATOM 1488 N SER B 137 -10.294 0.913 14.188 1.00 1.00 N ATOM 1489 CA SER B 137 -9.337 0.050 14.918 1.00 1.00 C ATOM 1490 C SER B 137 -7.872 0.187 14.438 1.00 1.00 C ATOM 1491 O SER B 137 -7.591 0.799 13.407 1.00 1.00 O ATOM 1492 CB SER B 137 -9.876 -1.380 14.776 1.00 1.00 C ATOM 1493 OG SER B 137 -9.062 -2.438 15.260 1.00 1.00 O ATOM 0 H SER B 137 -10.624 0.456 13.338 1.00 1.00 H new ATOM 0 HA SER B 137 -9.278 0.354 15.963 1.00 1.00 H new ATOM 0 HB2 SER B 137 -10.835 -1.431 15.291 1.00 1.00 H new ATOM 0 HB3 SER B 137 -10.072 -1.562 13.719 1.00 1.00 H new ATOM 0 HG SER B 137 -9.516 -3.294 15.113 1.00 1.00 H new ATOM 1499 N ILE B 138 -6.907 -0.356 15.198 1.00 1.00 N ATOM 1500 CA ILE B 138 -5.426 -0.269 14.980 1.00 1.00 C ATOM 1501 C ILE B 138 -4.857 -1.204 13.866 1.00 1.00 C ATOM 1502 O ILE B 138 -3.674 -1.119 13.534 1.00 1.00 O ATOM 1503 CB ILE B 138 -4.695 -0.422 16.352 1.00 1.00 C ATOM 1504 CG1 ILE B 138 -3.208 0.033 16.322 1.00 1.00 C ATOM 1505 CG2 ILE B 138 -4.815 -1.854 16.914 1.00 1.00 C ATOM 1506 CD1 ILE B 138 -2.584 0.259 17.713 1.00 1.00 C ATOM 0 H ILE B 138 -7.136 -0.900 16.030 1.00 1.00 H new ATOM 0 HA ILE B 138 -5.222 0.721 14.573 1.00 1.00 H new ATOM 0 HB ILE B 138 -5.214 0.258 17.027 1.00 1.00 H new ATOM 0 HG12 ILE B 138 -2.622 -0.717 15.792 1.00 1.00 H new ATOM 0 HG13 ILE B 138 -3.135 0.958 15.750 1.00 1.00 H new ATOM 0 HG21 ILE B 138 -4.292 -1.915 17.869 1.00 1.00 H new ATOM 0 HG22 ILE B 138 -5.867 -2.101 17.059 1.00 1.00 H new ATOM 0 HG23 ILE B 138 -4.371 -2.559 16.211 1.00 1.00 H new ATOM 0 HD11 ILE B 138 -1.547 0.574 17.600 1.00 1.00 H new ATOM 0 HD12 ILE B 138 -3.142 1.032 18.241 1.00 1.00 H new ATOM 0 HD13 ILE B 138 -2.621 -0.669 18.284 1.00 1.00 H new ATOM 1518 N GLN B 139 -5.700 -2.067 13.278 1.00 1.00 N ATOM 1519 CA GLN B 139 -5.571 -2.945 12.085 1.00 1.00 C ATOM 1520 C GLN B 139 -4.170 -3.036 11.410 1.00 1.00 C ATOM 1521 O GLN B 139 -3.786 -2.140 10.649 1.00 1.00 O ATOM 1522 CB GLN B 139 -6.618 -2.466 11.044 1.00 1.00 C ATOM 1523 CG GLN B 139 -8.102 -2.632 11.459 1.00 1.00 C ATOM 1524 CD GLN B 139 -9.034 -1.612 10.797 1.00 1.00 C ATOM 1525 OE1 GLN B 139 -9.771 -0.874 11.433 1.00 1.00 O ATOM 1526 NE2 GLN B 139 -9.075 -1.503 9.492 1.00 1.00 N ATOM 0 H GLN B 139 -6.628 -2.188 13.684 1.00 1.00 H new ATOM 0 HA GLN B 139 -5.738 -3.959 12.449 1.00 1.00 H new ATOM 0 HB2 GLN B 139 -6.435 -1.413 10.830 1.00 1.00 H new ATOM 0 HB3 GLN B 139 -6.456 -3.013 10.115 1.00 1.00 H new ATOM 0 HG2 GLN B 139 -8.434 -3.638 11.201 1.00 1.00 H new ATOM 0 HG3 GLN B 139 -8.182 -2.538 12.542 1.00 1.00 H new ATOM 0 HE21 GLN B 139 -8.480 -2.095 8.912 1.00 1.00 H new ATOM 0 HE22 GLN B 139 -9.701 -0.826 9.056 1.00 1.00 H new ATOM 1535 N ASP B 140 -3.426 -4.132 11.639 1.00 1.00 N ATOM 1536 CA ASP B 140 -2.155 -4.470 10.957 1.00 1.00 C ATOM 1537 C ASP B 140 -2.404 -5.464 9.788 1.00 1.00 C ATOM 1538 O ASP B 140 -2.453 -6.681 9.971 1.00 1.00 O ATOM 1539 CB ASP B 140 -1.113 -4.989 11.999 1.00 1.00 C ATOM 1540 CG ASP B 140 0.350 -4.639 11.689 1.00 1.00 C ATOM 1541 OD1 ASP B 140 0.589 -3.488 11.241 1.00 1.00 O ATOM 1542 OD2 ASP B 140 1.258 -5.446 11.995 1.00 1.00 O ATOM 0 H ASP B 140 -3.699 -4.834 12.327 1.00 1.00 H new ATOM 0 HA ASP B 140 -1.732 -3.573 10.504 1.00 1.00 H new ATOM 0 HB2 ASP B 140 -1.368 -4.582 12.978 1.00 1.00 H new ATOM 0 HB3 ASP B 140 -1.203 -6.073 12.071 1.00 1.00 H new ATOM 1547 N ASP B 141 -2.545 -4.920 8.569 1.00 1.00 N ATOM 1548 CA ASP B 141 -2.809 -5.653 7.312 1.00 1.00 C ATOM 1549 C ASP B 141 -2.028 -5.002 6.144 1.00 1.00 C ATOM 1550 O ASP B 141 -0.870 -5.364 5.962 1.00 1.00 O ATOM 1551 CB ASP B 141 -4.336 -5.927 7.185 1.00 1.00 C ATOM 1552 CG ASP B 141 -4.903 -6.220 5.788 1.00 1.00 C ATOM 1553 OD1 ASP B 141 -4.997 -7.423 5.403 1.00 1.00 O ATOM 1554 OD2 ASP B 141 -5.360 -5.245 5.156 1.00 1.00 O ATOM 0 H ASP B 141 -2.476 -3.913 8.422 1.00 1.00 H new ATOM 0 HA ASP B 141 -2.402 -6.664 7.293 1.00 1.00 H new ATOM 0 HB2 ASP B 141 -4.578 -6.774 7.828 1.00 1.00 H new ATOM 0 HB3 ASP B 141 -4.865 -5.062 7.585 1.00 1.00 H new ATOM 1559 N GLY B 142 -2.606 -4.043 5.413 1.00 1.00 N ATOM 1560 CA GLY B 142 -2.082 -3.455 4.158 1.00 1.00 C ATOM 1561 C GLY B 142 -2.377 -1.971 3.842 1.00 1.00 C ATOM 1562 O GLY B 142 -3.062 -1.668 2.862 1.00 1.00 O ATOM 0 H GLY B 142 -3.497 -3.629 5.687 1.00 1.00 H new ATOM 0 HA2 GLY B 142 -0.999 -3.581 4.163 1.00 1.00 H new ATOM 0 HA3 GLY B 142 -2.468 -4.050 3.330 1.00 1.00 H new ATOM 1566 N SER B 143 -1.775 -1.033 4.589 1.00 1.00 N ATOM 1567 CA SER B 143 -1.809 0.437 4.311 1.00 1.00 C ATOM 1568 C SER B 143 -1.100 0.863 2.998 1.00 1.00 C ATOM 1569 O SER B 143 -0.009 0.374 2.685 1.00 1.00 O ATOM 1570 CB SER B 143 -1.238 1.230 5.493 1.00 1.00 C ATOM 1571 OG SER B 143 -1.838 2.505 5.546 1.00 1.00 O ATOM 0 H SER B 143 -1.236 -1.265 5.423 1.00 1.00 H new ATOM 0 HA SER B 143 -2.864 0.673 4.174 1.00 1.00 H new ATOM 0 HB2 SER B 143 -1.419 0.694 6.424 1.00 1.00 H new ATOM 0 HB3 SER B 143 -0.158 1.330 5.388 1.00 1.00 H new ATOM 0 HG SER B 143 -1.377 3.056 6.212 1.00 1.00 H new ATOM 1577 N GLU B 144 -1.697 1.803 2.246 1.00 1.00 N ATOM 1578 CA GLU B 144 -1.344 2.195 0.855 1.00 1.00 C ATOM 1579 C GLU B 144 -0.479 3.449 0.581 1.00 1.00 C ATOM 1580 O GLU B 144 -0.008 3.598 -0.552 1.00 1.00 O ATOM 1581 CB GLU B 144 -2.649 2.251 0.016 1.00 1.00 C ATOM 1582 CG GLU B 144 -3.447 3.581 -0.034 1.00 1.00 C ATOM 1583 CD GLU B 144 -3.647 4.317 1.310 1.00 1.00 C ATOM 1584 OE1 GLU B 144 -3.797 3.662 2.373 1.00 1.00 O ATOM 1585 OE2 GLU B 144 -3.644 5.570 1.324 1.00 1.00 O ATOM 0 H GLU B 144 -2.483 2.345 2.605 1.00 1.00 H new ATOM 0 HA GLU B 144 -0.646 1.411 0.562 1.00 1.00 H new ATOM 0 HB2 GLU B 144 -2.395 1.979 -1.009 1.00 1.00 H new ATOM 0 HB3 GLU B 144 -3.318 1.478 0.394 1.00 1.00 H new ATOM 0 HG2 GLU B 144 -2.939 4.258 -0.721 1.00 1.00 H new ATOM 0 HG3 GLU B 144 -4.429 3.374 -0.459 1.00 1.00 H new ATOM 1592 N SER B 145 -0.293 4.357 1.550 1.00 1.00 N ATOM 1593 CA SER B 145 0.372 5.673 1.368 1.00 1.00 C ATOM 1594 C SER B 145 1.286 6.110 2.549 1.00 1.00 C ATOM 1595 O SER B 145 1.731 5.297 3.364 1.00 1.00 O ATOM 1596 CB SER B 145 -0.685 6.726 0.970 1.00 1.00 C ATOM 1597 OG SER B 145 -0.049 7.862 0.395 1.00 1.00 O ATOM 0 H SER B 145 -0.605 4.201 2.508 1.00 1.00 H new ATOM 0 HA SER B 145 1.086 5.572 0.551 1.00 1.00 H new ATOM 0 HB2 SER B 145 -1.390 6.295 0.259 1.00 1.00 H new ATOM 0 HB3 SER B 145 -1.260 7.026 1.846 1.00 1.00 H new ATOM 0 HG SER B 145 -0.727 8.524 0.144 1.00 1.00 H new ATOM 1603 N GLY B 146 1.653 7.401 2.612 1.00 1.00 N ATOM 1604 CA GLY B 146 2.350 8.075 3.729 1.00 1.00 C ATOM 1605 C GLY B 146 3.241 9.280 3.385 1.00 1.00 C ATOM 1606 O GLY B 146 3.974 9.736 4.258 1.00 1.00 O ATOM 0 H GLY B 146 1.462 8.042 1.842 1.00 1.00 H new ATOM 0 HA2 GLY B 146 1.597 8.406 4.444 1.00 1.00 H new ATOM 0 HA3 GLY B 146 2.968 7.334 4.236 1.00 1.00 H new ATOM 1610 N ALA B 147 3.287 9.714 2.114 1.00 1.00 N ATOM 1611 CA ALA B 147 3.898 10.956 1.579 1.00 1.00 C ATOM 1612 C ALA B 147 5.375 11.275 1.978 1.00 1.00 C ATOM 1613 O ALA B 147 5.845 12.404 1.837 1.00 1.00 O ATOM 1614 CB ALA B 147 2.888 12.100 1.785 1.00 1.00 C ATOM 0 H ALA B 147 2.864 9.163 1.367 1.00 1.00 H new ATOM 0 HA ALA B 147 4.072 10.800 0.514 1.00 1.00 H new ATOM 0 HB1 ALA B 147 3.308 13.030 1.401 1.00 1.00 H new ATOM 0 HB2 ALA B 147 1.965 11.871 1.252 1.00 1.00 H new ATOM 0 HB3 ALA B 147 2.675 12.210 2.848 1.00 1.00 H new ATOM 1620 N CYS B 148 6.090 10.266 2.478 1.00 1.00 N ATOM 1621 CA CYS B 148 7.447 10.266 3.041 1.00 1.00 C ATOM 1622 C CYS B 148 8.553 10.440 1.967 1.00 1.00 C ATOM 1623 O CYS B 148 8.464 9.883 0.866 1.00 1.00 O ATOM 1624 CB CYS B 148 7.561 8.927 3.790 1.00 1.00 C ATOM 1625 SG CYS B 148 8.884 8.709 4.988 1.00 1.00 S ATOM 0 H CYS B 148 5.692 9.327 2.502 1.00 1.00 H new ATOM 0 HA CYS B 148 7.601 11.118 3.703 1.00 1.00 H new ATOM 0 HB2 CYS B 148 6.617 8.758 4.308 1.00 1.00 H new ATOM 0 HB3 CYS B 148 7.660 8.139 3.043 1.00 1.00 H new ATOM 1630 N LYS B 149 9.627 11.168 2.319 1.00 1.00 N ATOM 1631 CA LYS B 149 10.722 11.681 1.440 1.00 1.00 C ATOM 1632 C LYS B 149 11.783 12.486 2.231 1.00 1.00 C ATOM 1633 O LYS B 149 11.576 12.751 3.410 1.00 1.00 O ATOM 1634 CB LYS B 149 10.084 12.610 0.354 1.00 1.00 C ATOM 1635 CG LYS B 149 10.566 12.329 -1.082 1.00 1.00 C ATOM 1636 CD LYS B 149 9.486 12.580 -2.161 1.00 1.00 C ATOM 1637 CE LYS B 149 9.311 14.024 -2.663 1.00 1.00 C ATOM 1638 NZ LYS B 149 10.313 14.400 -3.696 1.00 1.00 N ATOM 0 H LYS B 149 9.774 11.439 3.291 1.00 1.00 H new ATOM 0 HA LYS B 149 11.227 10.826 0.991 1.00 1.00 H new ATOM 0 HB2 LYS B 149 9.000 12.500 0.389 1.00 1.00 H new ATOM 0 HB3 LYS B 149 10.307 13.647 0.603 1.00 1.00 H new ATOM 0 HG2 LYS B 149 11.432 12.956 -1.294 1.00 1.00 H new ATOM 0 HG3 LYS B 149 10.899 11.293 -1.148 1.00 1.00 H new ATOM 0 HD2 LYS B 149 9.715 11.950 -3.020 1.00 1.00 H new ATOM 0 HD3 LYS B 149 8.528 12.243 -1.764 1.00 1.00 H new ATOM 0 HE2 LYS B 149 8.309 14.142 -3.075 1.00 1.00 H new ATOM 0 HE3 LYS B 149 9.391 14.709 -1.819 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 10.718 15.330 -3.465 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 11.071 13.688 -3.720 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 9.852 14.445 -4.627 1.00 1.00 H new ATOM 1652 N ILE B 150 12.907 12.860 1.598 1.00 1.00 N ATOM 1653 CA ILE B 150 13.968 13.804 2.070 1.00 1.00 C ATOM 1654 C ILE B 150 13.444 15.120 2.688 1.00 1.00 C ATOM 1655 O ILE B 150 13.833 15.446 3.833 1.00 1.00 O ATOM 1656 CB ILE B 150 15.034 14.032 0.962 1.00 1.00 C ATOM 1657 CG1 ILE B 150 16.223 14.918 1.428 1.00 1.00 C ATOM 1658 CG2 ILE B 150 14.410 14.640 -0.310 1.00 1.00 C ATOM 1659 CD1 ILE B 150 17.051 14.320 2.577 1.00 1.00 C ATOM 1660 OXT ILE B 150 12.606 15.818 2.086 1.00 1.00 O ATOM 0 H ILE B 150 13.127 12.491 0.673 1.00 1.00 H new ATOM 0 HA ILE B 150 14.454 13.311 2.912 1.00 1.00 H new ATOM 0 HB ILE B 150 15.428 13.042 0.735 1.00 1.00 H new ATOM 0 HG12 ILE B 150 16.881 15.097 0.578 1.00 1.00 H new ATOM 0 HG13 ILE B 150 15.836 15.887 1.742 1.00 1.00 H new ATOM 0 HG21 ILE B 150 15.186 14.785 -1.062 1.00 1.00 H new ATOM 0 HG22 ILE B 150 13.648 13.965 -0.700 1.00 1.00 H new ATOM 0 HG23 ILE B 150 13.955 15.600 -0.069 1.00 1.00 H new ATOM 0 HD11 ILE B 150 17.859 15.004 2.838 1.00 1.00 H new ATOM 0 HD12 ILE B 150 16.411 14.167 3.446 1.00 1.00 H new ATOM 0 HD13 ILE B 150 17.472 13.365 2.263 1.00 1.00 H new TER 1672 ILE B 150