USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 834 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 12 LYS NZ :NH3+ -117:sc= -0.187 (180deg=-1.72!) USER MOD Single : A 15 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1.3) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 83:sc= 1.35 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.651 X(o=-0.65,f=-0.91) USER MOD Single : A 32 GLN : amide:sc= -7.66! C(o=-7.7!,f=-18!) USER MOD Single : A 33 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-0.027) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.0363 (180deg=-0.541) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.448 USER MOD Single : A 39 ASN : amide:sc= -3.9! C(o=-3.9!,f=-2.8!) USER MOD Single : A 40 CYS SG : rot 31:sc= -6! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.45) USER MOD Single : A 57 ASN : amide:sc= -0.197 K(o=-0.2,f=-4.9!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1.3) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 68 GLN : amide:sc= -2.45! C(o=-2.4!,f=-3.5!) USER MOD Single : A 69 THR OG1 : rot 140:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.38! X(o=-1.4!,f=-1.5) USER MOD Single : A 80 HIS : no HD1:sc= -11.7! C(o=-12!,f=-11!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.344 USER MOD Single : A 93 ASN : amide:sc= -0.0203 K(o=-0.02,f=-1.5) USER MOD Single : A 97 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.68) USER MOD Single : A 98 ASN : amide:sc= -3.5! C(o=-3.5!,f=-1.4!) USER MOD Single : A 99 GLN : amide:sc= -0.0892 K(o=-0.089,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.591 -7.581 -3.837 1.00 0.00 N ATOM 2 CA GLY A 1 34.241 -7.057 -3.918 1.00 0.00 C ATOM 3 C GLY A 1 34.168 -5.764 -4.705 1.00 0.00 C ATOM 4 O GLY A 1 34.161 -4.677 -4.127 1.00 0.00 O ATOM 0 H1 GLY A 1 35.588 -8.465 -3.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.949 -7.769 -4.795 1.00 0.00 H new ATOM 0 H3 GLY A 1 36.206 -6.885 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.594 -7.800 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.859 -6.888 -2.911 1.00 0.00 H new ATOM 8 N SER A 2 34.114 -5.880 -6.028 1.00 0.00 N ATOM 9 CA SER A 2 34.047 -4.711 -6.897 1.00 0.00 C ATOM 10 C SER A 2 32.608 -4.225 -7.043 1.00 0.00 C ATOM 11 O SER A 2 31.783 -4.877 -7.682 1.00 0.00 O ATOM 12 CB SER A 2 34.629 -5.037 -8.273 1.00 0.00 C ATOM 13 OG SER A 2 34.826 -3.859 -9.036 1.00 0.00 O ATOM 0 H SER A 2 34.115 -6.772 -6.522 1.00 0.00 H new ATOM 0 HA SER A 2 34.637 -3.916 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 35.578 -5.561 -8.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.957 -5.711 -8.805 1.00 0.00 H new ATOM 0 HG SER A 2 35.200 -4.094 -9.911 1.00 0.00 H new ATOM 19 N SER A 3 32.316 -3.074 -6.445 1.00 0.00 N ATOM 20 CA SER A 3 30.976 -2.501 -6.505 1.00 0.00 C ATOM 21 C SER A 3 31.029 -1.042 -6.949 1.00 0.00 C ATOM 22 O SER A 3 32.102 -0.449 -7.046 1.00 0.00 O ATOM 23 CB SER A 3 30.293 -2.606 -5.140 1.00 0.00 C ATOM 24 OG SER A 3 29.709 -3.884 -4.959 1.00 0.00 O ATOM 0 H SER A 3 32.988 -2.521 -5.914 1.00 0.00 H new ATOM 0 HA SER A 3 30.398 -3.065 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.021 -2.420 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.526 -1.837 -5.054 1.00 0.00 H new ATOM 0 HG SER A 3 29.281 -3.926 -4.079 1.00 0.00 H new ATOM 30 N GLY A 4 29.859 -0.469 -7.218 1.00 0.00 N ATOM 31 CA GLY A 4 29.793 0.915 -7.648 1.00 0.00 C ATOM 32 C GLY A 4 28.399 1.496 -7.519 1.00 0.00 C ATOM 33 O GLY A 4 27.797 1.910 -8.510 1.00 0.00 O ATOM 0 H GLY A 4 28.957 -0.939 -7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.488 1.510 -7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.118 0.986 -8.686 1.00 0.00 H new ATOM 37 N SER A 5 27.883 1.526 -6.295 1.00 0.00 N ATOM 38 CA SER A 5 26.548 2.056 -6.040 1.00 0.00 C ATOM 39 C SER A 5 26.599 3.188 -5.019 1.00 0.00 C ATOM 40 O SER A 5 27.409 3.168 -4.092 1.00 0.00 O ATOM 41 CB SER A 5 25.622 0.945 -5.541 1.00 0.00 C ATOM 42 OG SER A 5 25.062 0.223 -6.624 1.00 0.00 O ATOM 0 H SER A 5 28.369 1.190 -5.464 1.00 0.00 H new ATOM 0 HA SER A 5 26.156 2.452 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.179 0.265 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.824 1.376 -4.936 1.00 0.00 H new ATOM 0 HG SER A 5 24.476 -0.482 -6.279 1.00 0.00 H new ATOM 48 N SER A 6 25.727 4.176 -5.196 1.00 0.00 N ATOM 49 CA SER A 6 25.674 5.320 -4.293 1.00 0.00 C ATOM 50 C SER A 6 24.229 5.723 -4.012 1.00 0.00 C ATOM 51 O SER A 6 23.339 5.497 -4.831 1.00 0.00 O ATOM 52 CB SER A 6 26.439 6.503 -4.889 1.00 0.00 C ATOM 53 OG SER A 6 27.838 6.319 -4.766 1.00 0.00 O ATOM 0 H SER A 6 25.048 4.207 -5.956 1.00 0.00 H new ATOM 0 HA SER A 6 26.142 5.031 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.175 6.618 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.144 7.423 -4.384 1.00 0.00 H new ATOM 0 HG SER A 6 28.305 7.088 -5.156 1.00 0.00 H new ATOM 59 N GLY A 7 24.005 6.322 -2.847 1.00 0.00 N ATOM 60 CA GLY A 7 22.668 6.748 -2.477 1.00 0.00 C ATOM 61 C GLY A 7 21.937 5.709 -1.649 1.00 0.00 C ATOM 62 O GLY A 7 20.775 5.400 -1.913 1.00 0.00 O ATOM 0 H GLY A 7 24.725 6.520 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.729 7.679 -1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.094 6.958 -3.380 1.00 0.00 H new ATOM 66 N TYR A 8 22.619 5.168 -0.646 1.00 0.00 N ATOM 67 CA TYR A 8 22.029 4.155 0.221 1.00 0.00 C ATOM 68 C TYR A 8 21.035 4.782 1.194 1.00 0.00 C ATOM 69 O TYR A 8 19.891 4.341 1.301 1.00 0.00 O ATOM 70 CB TYR A 8 23.122 3.416 0.995 1.00 0.00 C ATOM 71 CG TYR A 8 24.108 4.337 1.677 1.00 0.00 C ATOM 72 CD1 TYR A 8 25.209 4.838 0.993 1.00 0.00 C ATOM 73 CD2 TYR A 8 23.938 4.707 3.005 1.00 0.00 C ATOM 74 CE1 TYR A 8 26.113 5.678 1.613 1.00 0.00 C ATOM 75 CE2 TYR A 8 24.837 5.549 3.633 1.00 0.00 C ATOM 76 CZ TYR A 8 25.922 6.031 2.932 1.00 0.00 C ATOM 77 OH TYR A 8 26.820 6.870 3.553 1.00 0.00 O ATOM 0 H TYR A 8 23.581 5.414 -0.413 1.00 0.00 H new ATOM 0 HA TYR A 8 21.494 3.443 -0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 8 22.656 2.777 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 8 23.662 2.762 0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 8 25.360 4.566 -0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 8 23.089 4.331 3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.965 6.056 1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.690 5.827 4.666 1.00 0.00 H new ATOM 0 HH TYR A 8 26.540 7.020 4.480 1.00 0.00 H new ATOM 87 N ARG A 9 21.482 5.815 1.902 1.00 0.00 N ATOM 88 CA ARG A 9 20.634 6.503 2.867 1.00 0.00 C ATOM 89 C ARG A 9 19.200 6.604 2.357 1.00 0.00 C ATOM 90 O ARG A 9 18.248 6.359 3.098 1.00 0.00 O ATOM 91 CB ARG A 9 21.184 7.902 3.154 1.00 0.00 C ATOM 92 CG ARG A 9 21.298 8.777 1.917 1.00 0.00 C ATOM 93 CD ARG A 9 22.148 10.010 2.183 1.00 0.00 C ATOM 94 NE ARG A 9 21.348 11.135 2.657 1.00 0.00 N ATOM 95 CZ ARG A 9 21.839 12.132 3.385 1.00 0.00 C ATOM 96 NH1 ARG A 9 23.122 12.142 3.719 1.00 0.00 N ATOM 97 NH2 ARG A 9 21.047 13.121 3.779 1.00 0.00 N ATOM 0 H ARG A 9 22.426 6.193 1.825 1.00 0.00 H new ATOM 0 HA ARG A 9 20.633 5.923 3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 9 20.537 8.396 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 9 22.167 7.809 3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 9 21.736 8.201 1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 9 20.303 9.083 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.911 9.771 2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 9 22.669 10.295 1.269 1.00 0.00 H new ATOM 0 HE ARG A 9 20.357 11.157 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.734 11.384 3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.498 12.908 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.060 13.117 3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 9 21.426 13.886 4.338 1.00 0.00 H new ATOM 111 N ALA A 10 19.053 6.965 1.086 1.00 0.00 N ATOM 112 CA ALA A 10 17.736 7.096 0.476 1.00 0.00 C ATOM 113 C ALA A 10 17.146 5.730 0.145 1.00 0.00 C ATOM 114 O ALA A 10 16.022 5.415 0.536 1.00 0.00 O ATOM 115 CB ALA A 10 17.817 7.957 -0.776 1.00 0.00 C ATOM 0 H ALA A 10 19.830 7.172 0.459 1.00 0.00 H new ATOM 0 HA ALA A 10 17.077 7.582 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.826 8.046 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.187 8.948 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.496 7.495 -1.492 1.00 0.00 H new ATOM 121 N THR A 11 17.911 4.920 -0.581 1.00 0.00 N ATOM 122 CA THR A 11 17.464 3.588 -0.967 1.00 0.00 C ATOM 123 C THR A 11 16.724 2.904 0.176 1.00 0.00 C ATOM 124 O THR A 11 15.548 2.559 0.051 1.00 0.00 O ATOM 125 CB THR A 11 18.646 2.702 -1.401 1.00 0.00 C ATOM 126 OG1 THR A 11 19.326 3.301 -2.510 1.00 0.00 O ATOM 127 CG2 THR A 11 18.167 1.310 -1.786 1.00 0.00 C ATOM 0 H THR A 11 18.844 5.164 -0.913 1.00 0.00 H new ATOM 0 HA THR A 11 16.786 3.715 -1.811 1.00 0.00 H new ATOM 0 HB THR A 11 19.332 2.613 -0.559 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.006 3.925 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.020 0.703 -2.089 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.676 0.845 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.462 1.384 -2.614 1.00 0.00 H new ATOM 135 N LYS A 12 17.418 2.710 1.292 1.00 0.00 N ATOM 136 CA LYS A 12 16.827 2.068 2.461 1.00 0.00 C ATOM 137 C LYS A 12 15.387 2.529 2.664 1.00 0.00 C ATOM 138 O LYS A 12 14.462 1.716 2.685 1.00 0.00 O ATOM 139 CB LYS A 12 17.654 2.377 3.711 1.00 0.00 C ATOM 140 CG LYS A 12 17.406 1.412 4.857 1.00 0.00 C ATOM 141 CD LYS A 12 18.143 1.841 6.116 1.00 0.00 C ATOM 142 CE LYS A 12 19.604 1.420 6.077 1.00 0.00 C ATOM 143 NZ LYS A 12 20.448 2.413 5.357 1.00 0.00 N ATOM 0 H LYS A 12 18.392 2.988 1.412 1.00 0.00 H new ATOM 0 HA LYS A 12 16.825 0.991 2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.712 2.355 3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.429 3.390 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.337 1.355 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.729 0.412 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.078 2.923 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.660 1.402 6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.974 1.299 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.689 0.449 5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.862 1.969 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.863 3.223 5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.210 2.741 5.984 1.00 0.00 H new ATOM 157 N LEU A 13 15.204 3.836 2.812 1.00 0.00 N ATOM 158 CA LEU A 13 13.876 4.405 3.012 1.00 0.00 C ATOM 159 C LEU A 13 12.833 3.657 2.187 1.00 0.00 C ATOM 160 O LEU A 13 11.801 3.236 2.709 1.00 0.00 O ATOM 161 CB LEU A 13 13.872 5.888 2.634 1.00 0.00 C ATOM 162 CG LEU A 13 12.770 6.738 3.266 1.00 0.00 C ATOM 163 CD1 LEU A 13 12.954 6.818 4.773 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.754 8.131 2.654 1.00 0.00 C ATOM 0 H LEU A 13 15.959 4.522 2.797 1.00 0.00 H new ATOM 0 HA LEU A 13 13.620 4.304 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.836 6.315 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.787 5.966 1.550 1.00 0.00 H new ATOM 0 HG LEU A 13 11.810 6.262 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.160 7.427 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.914 5.815 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.920 7.269 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.963 8.722 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.716 8.615 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.571 8.055 1.582 1.00 0.00 H new ATOM 176 N TRP A 14 13.112 3.493 0.899 1.00 0.00 N ATOM 177 CA TRP A 14 12.198 2.792 0.003 1.00 0.00 C ATOM 178 C TRP A 14 11.925 1.378 0.501 1.00 0.00 C ATOM 179 O TRP A 14 10.772 0.968 0.631 1.00 0.00 O ATOM 180 CB TRP A 14 12.776 2.745 -1.412 1.00 0.00 C ATOM 181 CG TRP A 14 12.017 1.840 -2.334 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.349 0.563 -2.686 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.798 2.144 -3.022 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.410 0.055 -3.552 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.449 1.005 -3.773 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.968 3.267 -3.076 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.306 0.959 -4.567 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.834 3.220 -3.864 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.511 2.072 -4.601 1.00 0.00 C ATOM 0 H TRP A 14 13.962 3.835 0.452 1.00 0.00 H new ATOM 0 HA TRP A 14 11.255 3.339 -0.015 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.783 3.753 -1.828 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.813 2.414 -1.362 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.221 0.031 -2.336 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.426 -0.878 -3.963 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.209 4.156 -2.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.056 0.076 -5.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.185 4.082 -3.913 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.617 2.066 -5.207 1.00 0.00 H new ATOM 200 N ASN A 15 12.992 0.636 0.780 1.00 0.00 N ATOM 201 CA ASN A 15 12.866 -0.734 1.264 1.00 0.00 C ATOM 202 C ASN A 15 12.024 -0.786 2.535 1.00 0.00 C ATOM 203 O ASN A 15 11.121 -1.613 2.658 1.00 0.00 O ATOM 204 CB ASN A 15 14.249 -1.332 1.530 1.00 0.00 C ATOM 205 CG ASN A 15 14.962 -1.732 0.252 1.00 0.00 C ATOM 206 OD1 ASN A 15 14.405 -1.628 -0.841 1.00 0.00 O ATOM 207 ND2 ASN A 15 16.200 -2.192 0.385 1.00 0.00 N ATOM 0 H ASN A 15 13.954 0.961 0.679 1.00 0.00 H new ATOM 0 HA ASN A 15 12.366 -1.321 0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.857 -0.607 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.146 -2.205 2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.730 -2.477 -0.439 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.622 -2.261 1.311 1.00 0.00 H new ATOM 214 N GLU A 16 12.327 0.102 3.476 1.00 0.00 N ATOM 215 CA GLU A 16 11.597 0.156 4.737 1.00 0.00 C ATOM 216 C GLU A 16 10.098 0.303 4.493 1.00 0.00 C ATOM 217 O GLU A 16 9.285 -0.365 5.132 1.00 0.00 O ATOM 218 CB GLU A 16 12.102 1.319 5.594 1.00 0.00 C ATOM 219 CG GLU A 16 11.970 1.076 7.089 1.00 0.00 C ATOM 220 CD GLU A 16 12.482 2.239 7.916 1.00 0.00 C ATOM 221 OE1 GLU A 16 12.339 3.395 7.465 1.00 0.00 O ATOM 222 OE2 GLU A 16 13.025 1.994 9.013 1.00 0.00 O ATOM 0 H GLU A 16 13.072 0.793 3.389 1.00 0.00 H new ATOM 0 HA GLU A 16 11.770 -0.780 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.149 1.507 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.549 2.220 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.923 0.895 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.521 0.174 7.357 1.00 0.00 H new ATOM 229 N VAL A 17 9.740 1.184 3.564 1.00 0.00 N ATOM 230 CA VAL A 17 8.339 1.420 3.234 1.00 0.00 C ATOM 231 C VAL A 17 7.698 0.172 2.638 1.00 0.00 C ATOM 232 O VAL A 17 6.755 -0.386 3.202 1.00 0.00 O ATOM 233 CB VAL A 17 8.185 2.587 2.241 1.00 0.00 C ATOM 234 CG1 VAL A 17 6.723 2.785 1.872 1.00 0.00 C ATOM 235 CG2 VAL A 17 8.773 3.863 2.824 1.00 0.00 C ATOM 0 H VAL A 17 10.400 1.746 3.027 1.00 0.00 H new ATOM 0 HA VAL A 17 7.833 1.676 4.165 1.00 0.00 H new ATOM 0 HB VAL A 17 8.735 2.342 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.634 3.614 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.338 1.876 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.148 3.008 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.656 4.677 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.253 4.114 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.832 3.713 3.033 1.00 0.00 H new ATOM 245 N THR A 18 8.214 -0.263 1.493 1.00 0.00 N ATOM 246 CA THR A 18 7.692 -1.445 0.819 1.00 0.00 C ATOM 247 C THR A 18 7.599 -2.628 1.776 1.00 0.00 C ATOM 248 O THR A 18 6.638 -3.397 1.739 1.00 0.00 O ATOM 249 CB THR A 18 8.571 -1.841 -0.383 1.00 0.00 C ATOM 250 OG1 THR A 18 9.914 -2.080 0.050 1.00 0.00 O ATOM 251 CG2 THR A 18 8.561 -0.749 -1.442 1.00 0.00 C ATOM 0 H THR A 18 8.994 0.186 1.013 1.00 0.00 H new ATOM 0 HA THR A 18 6.694 -1.190 0.462 1.00 0.00 H new ATOM 0 HB THR A 18 8.163 -2.753 -0.819 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.466 -2.332 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.188 -1.050 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.541 -0.589 -1.790 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.947 0.176 -1.014 1.00 0.00 H new ATOM 259 N THR A 19 8.603 -2.769 2.636 1.00 0.00 N ATOM 260 CA THR A 19 8.635 -3.858 3.603 1.00 0.00 C ATOM 261 C THR A 19 7.425 -3.806 4.529 1.00 0.00 C ATOM 262 O THR A 19 6.690 -4.785 4.661 1.00 0.00 O ATOM 263 CB THR A 19 9.919 -3.818 4.453 1.00 0.00 C ATOM 264 OG1 THR A 19 11.066 -3.999 3.615 1.00 0.00 O ATOM 265 CG2 THR A 19 9.893 -4.898 5.525 1.00 0.00 C ATOM 0 H THR A 19 9.406 -2.141 2.682 1.00 0.00 H new ATOM 0 HA THR A 19 8.614 -4.787 3.033 1.00 0.00 H new ATOM 0 HB THR A 19 9.975 -2.845 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.317 -3.141 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.810 -4.850 6.112 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.035 -4.741 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.815 -5.877 5.053 1.00 0.00 H new ATOM 273 N SER A 20 7.223 -2.658 5.168 1.00 0.00 N ATOM 274 CA SER A 20 6.103 -2.480 6.085 1.00 0.00 C ATOM 275 C SER A 20 4.775 -2.534 5.336 1.00 0.00 C ATOM 276 O SER A 20 3.899 -3.337 5.659 1.00 0.00 O ATOM 277 CB SER A 20 6.230 -1.148 6.826 1.00 0.00 C ATOM 278 OG SER A 20 7.015 -1.289 7.998 1.00 0.00 O ATOM 0 H SER A 20 7.820 -1.837 5.068 1.00 0.00 H new ATOM 0 HA SER A 20 6.125 -3.294 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.682 -0.405 6.169 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.239 -0.779 7.091 1.00 0.00 H new ATOM 0 HG SER A 20 7.082 -0.423 8.453 1.00 0.00 H new ATOM 284 N PHE A 21 4.632 -1.672 4.335 1.00 0.00 N ATOM 285 CA PHE A 21 3.411 -1.619 3.540 1.00 0.00 C ATOM 286 C PHE A 21 2.973 -3.020 3.122 1.00 0.00 C ATOM 287 O PHE A 21 1.908 -3.493 3.518 1.00 0.00 O ATOM 288 CB PHE A 21 3.621 -0.747 2.300 1.00 0.00 C ATOM 289 CG PHE A 21 2.526 -0.881 1.281 1.00 0.00 C ATOM 290 CD1 PHE A 21 1.410 -0.062 1.332 1.00 0.00 C ATOM 291 CD2 PHE A 21 2.615 -1.825 0.270 1.00 0.00 C ATOM 292 CE1 PHE A 21 0.401 -0.184 0.395 1.00 0.00 C ATOM 293 CE2 PHE A 21 1.609 -1.951 -0.670 1.00 0.00 C ATOM 294 CZ PHE A 21 0.501 -1.129 -0.608 1.00 0.00 C ATOM 0 H PHE A 21 5.347 -1.000 4.055 1.00 0.00 H new ATOM 0 HA PHE A 21 2.626 -1.180 4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.695 0.296 2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.572 -1.011 1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.327 0.680 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.480 -2.469 0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.465 0.459 0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.690 -2.692 -1.452 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.286 -1.225 -1.342 1.00 0.00 H new ATOM 304 N ARG A 22 3.803 -3.677 2.318 1.00 0.00 N ATOM 305 CA ARG A 22 3.501 -5.023 1.844 1.00 0.00 C ATOM 306 C ARG A 22 2.781 -5.830 2.921 1.00 0.00 C ATOM 307 O ARG A 22 1.653 -6.280 2.723 1.00 0.00 O ATOM 308 CB ARG A 22 4.787 -5.740 1.429 1.00 0.00 C ATOM 309 CG ARG A 22 4.552 -6.929 0.512 1.00 0.00 C ATOM 310 CD ARG A 22 4.293 -8.201 1.305 1.00 0.00 C ATOM 311 NE ARG A 22 5.532 -8.824 1.761 1.00 0.00 N ATOM 312 CZ ARG A 22 6.253 -9.656 1.018 1.00 0.00 C ATOM 313 NH1 ARG A 22 5.861 -9.963 -0.210 1.00 0.00 N ATOM 314 NH2 ARG A 22 7.370 -10.182 1.504 1.00 0.00 N ATOM 0 H ARG A 22 4.689 -3.300 1.981 1.00 0.00 H new ATOM 0 HA ARG A 22 2.844 -4.938 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.444 -5.029 0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.309 -6.079 2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.702 -6.725 -0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.420 -7.071 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.665 -7.970 2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.739 -8.907 0.687 1.00 0.00 H new ATOM 0 HE ARG A 22 5.862 -8.609 2.702 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.003 -9.560 -0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.417 -10.602 -0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.675 -9.947 2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.923 -10.821 0.933 1.00 0.00 H new ATOM 328 N ALA A 23 3.442 -6.008 4.060 1.00 0.00 N ATOM 329 CA ALA A 23 2.865 -6.759 5.168 1.00 0.00 C ATOM 330 C ALA A 23 1.571 -6.115 5.653 1.00 0.00 C ATOM 331 O ALA A 23 0.499 -6.713 5.571 1.00 0.00 O ATOM 332 CB ALA A 23 3.864 -6.866 6.310 1.00 0.00 C ATOM 0 H ALA A 23 4.377 -5.642 4.240 1.00 0.00 H new ATOM 0 HA ALA A 23 2.629 -7.762 4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.420 -7.429 7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.761 -7.378 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.128 -5.867 6.657 1.00 0.00 H new ATOM 338 N GLY A 24 1.678 -4.890 6.160 1.00 0.00 N ATOM 339 CA GLY A 24 0.509 -4.185 6.652 1.00 0.00 C ATOM 340 C GLY A 24 -0.502 -5.116 7.292 1.00 0.00 C ATOM 341 O GLY A 24 -0.174 -5.858 8.217 1.00 0.00 O ATOM 0 H GLY A 24 2.554 -4.373 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.820 -3.436 7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.036 -3.652 5.827 1.00 0.00 H new ATOM 345 N MET A 25 -1.736 -5.074 6.800 1.00 0.00 N ATOM 346 CA MET A 25 -2.798 -5.920 7.331 1.00 0.00 C ATOM 347 C MET A 25 -3.686 -6.449 6.208 1.00 0.00 C ATOM 348 O MET A 25 -3.874 -5.802 5.178 1.00 0.00 O ATOM 349 CB MET A 25 -3.643 -5.141 8.341 1.00 0.00 C ATOM 350 CG MET A 25 -4.428 -3.996 7.721 1.00 0.00 C ATOM 351 SD MET A 25 -5.067 -2.845 8.953 1.00 0.00 S ATOM 352 CE MET A 25 -3.640 -1.791 9.203 1.00 0.00 C ATOM 0 H MET A 25 -2.025 -4.464 6.035 1.00 0.00 H new ATOM 0 HA MET A 25 -2.334 -6.769 7.834 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.338 -5.826 8.826 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.991 -4.744 9.119 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.787 -3.457 7.024 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.258 -4.401 7.143 1.00 0.00 H new ATOM 0 HE1 MET A 25 -3.878 -1.025 9.941 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.803 -2.391 9.560 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.370 -1.315 8.260 1.00 0.00 H new ATOM 362 N PRO A 26 -4.244 -7.651 6.410 1.00 0.00 N ATOM 363 CA PRO A 26 -5.120 -8.292 5.425 1.00 0.00 C ATOM 364 C PRO A 26 -6.463 -7.582 5.295 1.00 0.00 C ATOM 365 O PRO A 26 -6.754 -6.641 6.036 1.00 0.00 O ATOM 366 CB PRO A 26 -5.314 -9.703 5.987 1.00 0.00 C ATOM 367 CG PRO A 26 -5.095 -9.559 7.454 1.00 0.00 C ATOM 368 CD PRO A 26 -4.063 -8.478 7.615 1.00 0.00 C ATOM 0 HA PRO A 26 -4.690 -8.273 4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.313 -10.081 5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.605 -10.405 5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.022 -9.293 7.962 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.750 -10.496 7.891 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.224 -7.901 8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.055 -8.890 7.672 1.00 0.00 H new ATOM 376 N LEU A 27 -7.279 -8.037 4.351 1.00 0.00 N ATOM 377 CA LEU A 27 -8.593 -7.444 4.124 1.00 0.00 C ATOM 378 C LEU A 27 -9.666 -8.181 4.919 1.00 0.00 C ATOM 379 O LEU A 27 -9.901 -9.371 4.710 1.00 0.00 O ATOM 380 CB LEU A 27 -8.937 -7.473 2.634 1.00 0.00 C ATOM 381 CG LEU A 27 -8.788 -8.826 1.936 1.00 0.00 C ATOM 382 CD1 LEU A 27 -9.722 -8.914 0.739 1.00 0.00 C ATOM 383 CD2 LEU A 27 -7.346 -9.050 1.508 1.00 0.00 C ATOM 0 H LEU A 27 -7.054 -8.815 3.730 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.561 -6.409 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.966 -7.136 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.302 -6.750 2.121 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.061 -9.610 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.602 -9.883 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.753 -8.800 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.481 -8.122 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.259 -10.017 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.044 -8.262 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.699 -9.032 2.385 1.00 0.00 H new ATOM 395 N ARG A 28 -10.316 -7.464 5.830 1.00 0.00 N ATOM 396 CA ARG A 28 -11.366 -8.049 6.656 1.00 0.00 C ATOM 397 C ARG A 28 -12.595 -8.382 5.817 1.00 0.00 C ATOM 398 O ARG A 28 -13.022 -9.535 5.752 1.00 0.00 O ATOM 399 CB ARG A 28 -11.750 -7.090 7.784 1.00 0.00 C ATOM 400 CG ARG A 28 -10.866 -7.211 9.015 1.00 0.00 C ATOM 401 CD ARG A 28 -11.332 -8.335 9.927 1.00 0.00 C ATOM 402 NE ARG A 28 -10.340 -8.658 10.949 1.00 0.00 N ATOM 403 CZ ARG A 28 -10.221 -7.994 12.093 1.00 0.00 C ATOM 404 NH1 ARG A 28 -11.028 -6.977 12.361 1.00 0.00 N ATOM 405 NH2 ARG A 28 -9.293 -8.348 12.973 1.00 0.00 N ATOM 0 H ARG A 28 -10.134 -6.477 6.015 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.981 -8.973 7.088 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.701 -6.067 7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.785 -7.276 8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.836 -7.393 8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.873 -6.269 9.564 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.267 -8.048 10.408 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.540 -9.223 9.330 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.704 -9.436 10.775 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.743 -6.702 11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.934 -6.469 13.241 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.671 -9.130 12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.202 -7.838 13.851 1.00 0.00 H new ATOM 419 N LYS A 29 -13.161 -7.366 5.175 1.00 0.00 N ATOM 420 CA LYS A 29 -14.341 -7.549 4.339 1.00 0.00 C ATOM 421 C LYS A 29 -14.581 -6.326 3.460 1.00 0.00 C ATOM 422 O LYS A 29 -13.987 -5.269 3.675 1.00 0.00 O ATOM 423 CB LYS A 29 -15.572 -7.815 5.209 1.00 0.00 C ATOM 424 CG LYS A 29 -16.004 -6.615 6.034 1.00 0.00 C ATOM 425 CD LYS A 29 -17.009 -5.756 5.285 1.00 0.00 C ATOM 426 CE LYS A 29 -17.162 -4.387 5.930 1.00 0.00 C ATOM 427 NZ LYS A 29 -18.070 -4.427 7.109 1.00 0.00 N ATOM 0 H LYS A 29 -12.821 -6.405 5.218 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.167 -8.410 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.399 -8.122 4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.360 -8.649 5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.443 -6.956 6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.131 -6.015 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.688 -5.638 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.975 -6.260 5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.183 -4.019 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.551 -3.681 5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -18.148 -3.475 7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -19.011 -4.753 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.686 -5.081 7.821 1.00 0.00 H new ATOM 441 N HIS A 30 -15.457 -6.476 2.471 1.00 0.00 N ATOM 442 CA HIS A 30 -15.777 -5.382 1.561 1.00 0.00 C ATOM 443 C HIS A 30 -17.123 -5.616 0.883 1.00 0.00 C ATOM 444 O HIS A 30 -17.727 -6.678 1.030 1.00 0.00 O ATOM 445 CB HIS A 30 -14.681 -5.231 0.506 1.00 0.00 C ATOM 446 CG HIS A 30 -13.583 -4.297 0.912 1.00 0.00 C ATOM 447 ND1 HIS A 30 -13.811 -3.111 1.575 1.00 0.00 N ATOM 448 CD2 HIS A 30 -12.242 -4.382 0.746 1.00 0.00 C ATOM 449 CE1 HIS A 30 -12.659 -2.505 1.799 1.00 0.00 C ATOM 450 NE2 HIS A 30 -11.690 -3.256 1.305 1.00 0.00 N ATOM 0 H HIS A 30 -15.957 -7.344 2.280 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.838 -4.463 2.144 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -14.253 -6.211 0.295 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -15.128 -4.872 -0.421 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.706 -5.186 0.264 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.531 -1.557 2.300 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.695 -3.035 1.334 1.00 0.00 H new ATOM 458 N ARG A 31 -17.588 -4.616 0.141 1.00 0.00 N ATOM 459 CA ARG A 31 -18.864 -4.712 -0.557 1.00 0.00 C ATOM 460 C ARG A 31 -19.073 -6.116 -1.118 1.00 0.00 C ATOM 461 O ARG A 31 -20.075 -6.768 -0.825 1.00 0.00 O ATOM 462 CB ARG A 31 -18.929 -3.685 -1.689 1.00 0.00 C ATOM 463 CG ARG A 31 -18.797 -2.247 -1.215 1.00 0.00 C ATOM 464 CD ARG A 31 -20.142 -1.672 -0.799 1.00 0.00 C ATOM 465 NE ARG A 31 -20.101 -0.217 -0.675 1.00 0.00 N ATOM 466 CZ ARG A 31 -20.969 0.484 0.045 1.00 0.00 C ATOM 467 NH1 ARG A 31 -21.940 -0.133 0.704 1.00 0.00 N ATOM 468 NH2 ARG A 31 -20.865 1.806 0.109 1.00 0.00 N ATOM 0 H ARG A 31 -17.100 -3.730 0.008 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.658 -4.504 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.136 -3.897 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.875 -3.799 -2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -18.105 -2.202 -0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.370 -1.638 -2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -20.898 -1.952 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.444 -2.109 0.153 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.365 0.288 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -22.022 -1.149 0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.605 0.408 1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.118 2.284 -0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.532 2.344 0.662 1.00 0.00 H new ATOM 482 N GLN A 32 -18.121 -6.573 -1.924 1.00 0.00 N ATOM 483 CA GLN A 32 -18.202 -7.899 -2.526 1.00 0.00 C ATOM 484 C GLN A 32 -18.300 -8.978 -1.454 1.00 0.00 C ATOM 485 O GLN A 32 -18.153 -8.700 -0.263 1.00 0.00 O ATOM 486 CB GLN A 32 -16.982 -8.154 -3.414 1.00 0.00 C ATOM 487 CG GLN A 32 -15.751 -8.600 -2.642 1.00 0.00 C ATOM 488 CD GLN A 32 -15.880 -10.011 -2.102 1.00 0.00 C ATOM 489 OE1 GLN A 32 -16.149 -10.952 -2.850 1.00 0.00 O ATOM 490 NE2 GLN A 32 -15.688 -10.166 -0.798 1.00 0.00 N ATOM 0 H GLN A 32 -17.285 -6.046 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 32 -19.103 -7.939 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.233 -8.915 -4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.746 -7.243 -3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.878 -8.542 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.577 -7.913 -1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.467 -9.358 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.761 -11.093 -0.378 1.00 0.00 H new ATOM 499 N HIS A 33 -18.549 -10.211 -1.883 1.00 0.00 N ATOM 500 CA HIS A 33 -18.667 -11.334 -0.959 1.00 0.00 C ATOM 501 C HIS A 33 -18.332 -12.649 -1.656 1.00 0.00 C ATOM 502 O HIS A 33 -18.408 -12.751 -2.881 1.00 0.00 O ATOM 503 CB HIS A 33 -20.080 -11.396 -0.377 1.00 0.00 C ATOM 504 CG HIS A 33 -20.141 -12.026 0.981 1.00 0.00 C ATOM 505 ND1 HIS A 33 -20.450 -11.320 2.124 1.00 0.00 N ATOM 506 CD2 HIS A 33 -19.932 -13.304 1.374 1.00 0.00 C ATOM 507 CE1 HIS A 33 -20.427 -12.137 3.162 1.00 0.00 C ATOM 508 NE2 HIS A 33 -20.116 -13.347 2.734 1.00 0.00 N ATOM 0 H HIS A 33 -18.673 -10.458 -2.865 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.955 -11.182 -0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -20.485 -10.386 -0.318 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -20.720 -11.957 -1.058 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -19.669 -14.135 0.737 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -20.628 -11.862 4.187 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -20.027 -14.178 3.319 1.00 0.00 H new ATOM 516 N PHE A 34 -17.961 -13.653 -0.868 1.00 0.00 N ATOM 517 CA PHE A 34 -17.613 -14.961 -1.410 1.00 0.00 C ATOM 518 C PHE A 34 -16.424 -14.857 -2.361 1.00 0.00 C ATOM 519 O PHE A 34 -16.357 -15.562 -3.369 1.00 0.00 O ATOM 520 CB PHE A 34 -18.812 -15.570 -2.139 1.00 0.00 C ATOM 521 CG PHE A 34 -18.656 -17.036 -2.428 1.00 0.00 C ATOM 522 CD1 PHE A 34 -18.561 -17.954 -1.395 1.00 0.00 C ATOM 523 CD2 PHE A 34 -18.605 -17.496 -3.734 1.00 0.00 C ATOM 524 CE1 PHE A 34 -18.417 -19.303 -1.659 1.00 0.00 C ATOM 525 CE2 PHE A 34 -18.461 -18.844 -4.004 1.00 0.00 C ATOM 526 CZ PHE A 34 -18.368 -19.748 -2.965 1.00 0.00 C ATOM 0 H PHE A 34 -17.894 -13.586 0.148 1.00 0.00 H new ATOM 0 HA PHE A 34 -17.335 -15.609 -0.579 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -19.708 -15.420 -1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -18.966 -15.037 -3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -18.600 -17.612 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -18.679 -16.793 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -18.343 -20.008 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -18.421 -19.189 -5.026 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.257 -20.802 -3.173 1.00 0.00 H new ATOM 536 N LYS A 35 -15.489 -13.972 -2.035 1.00 0.00 N ATOM 537 CA LYS A 35 -14.301 -13.774 -2.858 1.00 0.00 C ATOM 538 C LYS A 35 -14.683 -13.542 -4.316 1.00 0.00 C ATOM 539 O LYS A 35 -13.968 -13.955 -5.229 1.00 0.00 O ATOM 540 CB LYS A 35 -13.373 -14.986 -2.749 1.00 0.00 C ATOM 541 CG LYS A 35 -13.894 -16.218 -3.469 1.00 0.00 C ATOM 542 CD LYS A 35 -12.764 -17.155 -3.860 1.00 0.00 C ATOM 543 CE LYS A 35 -12.351 -18.046 -2.698 1.00 0.00 C ATOM 544 NZ LYS A 35 -11.650 -19.274 -3.163 1.00 0.00 N ATOM 0 H LYS A 35 -15.530 -13.379 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.778 -12.890 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.397 -14.723 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.225 -15.226 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.599 -16.745 -2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.442 -15.915 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.078 -17.774 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.906 -16.572 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.699 -17.488 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.234 -18.327 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.385 -19.854 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.281 -19.820 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.793 -19.007 -3.689 1.00 0.00 H new ATOM 558 N LYS A 36 -15.813 -12.876 -4.528 1.00 0.00 N ATOM 559 CA LYS A 36 -16.289 -12.585 -5.875 1.00 0.00 C ATOM 560 C LYS A 36 -15.121 -12.320 -6.820 1.00 0.00 C ATOM 561 O LYS A 36 -15.049 -12.889 -7.909 1.00 0.00 O ATOM 562 CB LYS A 36 -17.229 -11.377 -5.857 1.00 0.00 C ATOM 563 CG LYS A 36 -18.699 -11.751 -5.779 1.00 0.00 C ATOM 564 CD LYS A 36 -19.571 -10.740 -6.503 1.00 0.00 C ATOM 565 CE LYS A 36 -19.756 -11.111 -7.967 1.00 0.00 C ATOM 566 NZ LYS A 36 -18.700 -10.513 -8.829 1.00 0.00 N ATOM 0 H LYS A 36 -16.417 -12.527 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.835 -13.457 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.978 -10.745 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.061 -10.783 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.848 -12.739 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.004 -11.814 -4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.544 -10.682 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.119 -9.751 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.739 -12.196 -8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.735 -10.774 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.021 -10.508 -9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.511 -9.538 -8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.829 -11.075 -8.751 1.00 0.00 H new ATOM 580 N TYR A 37 -14.208 -11.454 -6.394 1.00 0.00 N ATOM 581 CA TYR A 37 -13.043 -11.113 -7.203 1.00 0.00 C ATOM 582 C TYR A 37 -11.893 -12.079 -6.936 1.00 0.00 C ATOM 583 O TYR A 37 -11.519 -12.871 -7.801 1.00 0.00 O ATOM 584 CB TYR A 37 -12.597 -9.679 -6.913 1.00 0.00 C ATOM 585 CG TYR A 37 -13.744 -8.730 -6.646 1.00 0.00 C ATOM 586 CD1 TYR A 37 -14.840 -8.678 -7.499 1.00 0.00 C ATOM 587 CD2 TYR A 37 -13.731 -7.885 -5.544 1.00 0.00 C ATOM 588 CE1 TYR A 37 -15.890 -7.812 -7.260 1.00 0.00 C ATOM 589 CE2 TYR A 37 -14.777 -7.017 -5.297 1.00 0.00 C ATOM 590 CZ TYR A 37 -15.854 -6.984 -6.158 1.00 0.00 C ATOM 591 OH TYR A 37 -16.897 -6.120 -5.916 1.00 0.00 O ATOM 0 H TYR A 37 -14.252 -10.976 -5.494 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.325 -11.194 -8.253 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.931 -9.682 -6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.020 -9.309 -7.760 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.872 -9.325 -8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.889 -7.907 -4.868 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.734 -7.784 -7.933 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -14.752 -6.368 -4.434 1.00 0.00 H new ATOM 0 HH TYR A 37 -17.728 -6.505 -6.265 1.00 0.00 H new ATOM 601 N GLY A 38 -11.336 -12.008 -5.731 1.00 0.00 N ATOM 602 CA GLY A 38 -10.234 -12.881 -5.370 1.00 0.00 C ATOM 603 C GLY A 38 -9.467 -12.378 -4.163 1.00 0.00 C ATOM 604 O GLY A 38 -8.238 -12.419 -4.139 1.00 0.00 O ATOM 0 H GLY A 38 -11.628 -11.361 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.619 -13.879 -5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.554 -12.972 -6.217 1.00 0.00 H new ATOM 608 N ASN A 39 -10.195 -11.900 -3.159 1.00 0.00 N ATOM 609 CA ASN A 39 -9.575 -11.384 -1.944 1.00 0.00 C ATOM 610 C ASN A 39 -8.730 -10.150 -2.245 1.00 0.00 C ATOM 611 O ASN A 39 -7.601 -10.026 -1.769 1.00 0.00 O ATOM 612 CB ASN A 39 -8.707 -12.463 -1.292 1.00 0.00 C ATOM 613 CG ASN A 39 -8.578 -12.274 0.207 1.00 0.00 C ATOM 614 OD1 ASN A 39 -9.571 -12.300 0.935 1.00 0.00 O ATOM 615 ND2 ASN A 39 -7.351 -12.081 0.676 1.00 0.00 N ATOM 0 H ASN A 39 -11.214 -11.859 -3.163 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.369 -11.099 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.137 -13.444 -1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.715 -12.450 -1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.203 -11.947 1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.557 -12.067 0.036 1.00 0.00 H new ATOM 622 N CYS A 40 -9.285 -9.240 -3.038 1.00 0.00 N ATOM 623 CA CYS A 40 -8.583 -8.014 -3.404 1.00 0.00 C ATOM 624 C CYS A 40 -9.145 -6.818 -2.642 1.00 0.00 C ATOM 625 O CYS A 40 -10.233 -6.888 -2.071 1.00 0.00 O ATOM 626 CB CYS A 40 -8.690 -7.771 -4.910 1.00 0.00 C ATOM 627 SG CYS A 40 -10.389 -7.675 -5.524 1.00 0.00 S ATOM 0 H CYS A 40 -10.218 -9.328 -3.440 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.533 -8.131 -3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.174 -6.843 -5.155 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.170 -8.573 -5.434 1.00 0.00 H new ATOM 0 HG CYS A 40 -11.160 -7.195 -4.594 1.00 0.00 H new ATOM 633 N PHE A 41 -8.394 -5.722 -2.636 1.00 0.00 N ATOM 634 CA PHE A 41 -8.815 -4.511 -1.942 1.00 0.00 C ATOM 635 C PHE A 41 -8.722 -3.296 -2.862 1.00 0.00 C ATOM 636 O PHE A 41 -7.974 -3.299 -3.840 1.00 0.00 O ATOM 637 CB PHE A 41 -7.957 -4.287 -0.695 1.00 0.00 C ATOM 638 CG PHE A 41 -6.482 -4.404 -0.954 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.753 -3.310 -1.393 1.00 0.00 C ATOM 640 CD2 PHE A 41 -5.824 -5.608 -0.759 1.00 0.00 C ATOM 641 CE1 PHE A 41 -4.396 -3.414 -1.632 1.00 0.00 C ATOM 642 CE2 PHE A 41 -4.466 -5.717 -0.996 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.752 -4.619 -1.434 1.00 0.00 C ATOM 0 H PHE A 41 -7.491 -5.648 -3.104 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.855 -4.638 -1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.169 -3.297 -0.290 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.243 -5.011 0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.252 -2.365 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.378 -6.470 -0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.840 -2.553 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.964 -6.660 -0.839 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.692 -4.703 -1.621 1.00 0.00 H new ATOM 653 N THR A 42 -9.488 -2.258 -2.540 1.00 0.00 N ATOM 654 CA THR A 42 -9.494 -1.038 -3.337 1.00 0.00 C ATOM 655 C THR A 42 -8.290 -0.161 -3.009 1.00 0.00 C ATOM 656 O THR A 42 -7.638 -0.345 -1.983 1.00 0.00 O ATOM 657 CB THR A 42 -10.783 -0.226 -3.111 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.883 0.161 -1.736 1.00 0.00 O ATOM 659 CG2 THR A 42 -12.009 -1.035 -3.505 1.00 0.00 C ATOM 0 H THR A 42 -10.112 -2.238 -1.733 1.00 0.00 H new ATOM 0 HA THR A 42 -9.444 -1.343 -4.382 1.00 0.00 H new ATOM 0 HB THR A 42 -10.739 0.665 -3.737 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.704 0.678 -1.601 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.907 -0.440 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.944 -1.304 -4.559 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.056 -1.942 -2.902 1.00 0.00 H new ATOM 667 N ALA A 43 -8.003 0.793 -3.888 1.00 0.00 N ATOM 668 CA ALA A 43 -6.879 1.700 -3.690 1.00 0.00 C ATOM 669 C ALA A 43 -7.112 2.608 -2.487 1.00 0.00 C ATOM 670 O ALA A 43 -6.209 2.830 -1.681 1.00 0.00 O ATOM 671 CB ALA A 43 -6.644 2.531 -4.943 1.00 0.00 C ATOM 0 H ALA A 43 -8.533 0.958 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.990 1.100 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.802 3.204 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.424 1.870 -5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.537 3.115 -5.165 1.00 0.00 H new ATOM 677 N GLY A 44 -8.329 3.132 -2.373 1.00 0.00 N ATOM 678 CA GLY A 44 -8.657 4.010 -1.265 1.00 0.00 C ATOM 679 C GLY A 44 -8.193 3.460 0.069 1.00 0.00 C ATOM 680 O GLY A 44 -7.351 4.060 0.735 1.00 0.00 O ATOM 0 H GLY A 44 -9.093 2.964 -3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.200 4.985 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.736 4.165 -1.235 1.00 0.00 H new ATOM 684 N GLU A 45 -8.746 2.316 0.460 1.00 0.00 N ATOM 685 CA GLU A 45 -8.385 1.687 1.725 1.00 0.00 C ATOM 686 C GLU A 45 -6.870 1.668 1.910 1.00 0.00 C ATOM 687 O GLU A 45 -6.364 1.927 3.001 1.00 0.00 O ATOM 688 CB GLU A 45 -8.935 0.260 1.786 1.00 0.00 C ATOM 689 CG GLU A 45 -8.701 -0.426 3.121 1.00 0.00 C ATOM 690 CD GLU A 45 -9.433 -1.749 3.234 1.00 0.00 C ATOM 691 OE1 GLU A 45 -8.870 -2.776 2.801 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.568 -1.757 3.754 1.00 0.00 O ATOM 0 H GLU A 45 -9.445 1.806 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.825 2.273 2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.005 0.283 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.473 -0.333 0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.633 -0.594 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.025 0.234 3.926 1.00 0.00 H new ATOM 699 N ALA A 46 -6.152 1.358 0.835 1.00 0.00 N ATOM 700 CA ALA A 46 -4.696 1.306 0.878 1.00 0.00 C ATOM 701 C ALA A 46 -4.111 2.650 1.299 1.00 0.00 C ATOM 702 O ALA A 46 -3.198 2.710 2.123 1.00 0.00 O ATOM 703 CB ALA A 46 -4.143 0.889 -0.477 1.00 0.00 C ATOM 0 H ALA A 46 -6.555 1.139 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.405 0.564 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.055 0.854 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.527 -0.097 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.451 1.611 -1.233 1.00 0.00 H new ATOM 709 N VAL A 47 -4.642 3.726 0.728 1.00 0.00 N ATOM 710 CA VAL A 47 -4.173 5.070 1.045 1.00 0.00 C ATOM 711 C VAL A 47 -4.098 5.284 2.553 1.00 0.00 C ATOM 712 O VAL A 47 -3.126 5.841 3.063 1.00 0.00 O ATOM 713 CB VAL A 47 -5.089 6.144 0.430 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.682 7.530 0.907 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.057 6.064 -1.089 1.00 0.00 C ATOM 0 H VAL A 47 -5.397 3.694 0.043 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.175 5.166 0.617 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.111 5.958 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.341 8.276 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.760 7.579 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.653 7.730 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.710 6.830 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.038 6.224 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.400 5.080 -1.409 1.00 0.00 H new ATOM 725 N ASP A 48 -5.130 4.838 3.260 1.00 0.00 N ATOM 726 CA ASP A 48 -5.181 4.980 4.711 1.00 0.00 C ATOM 727 C ASP A 48 -4.064 4.181 5.374 1.00 0.00 C ATOM 728 O ASP A 48 -3.332 4.700 6.216 1.00 0.00 O ATOM 729 CB ASP A 48 -6.540 4.519 5.242 1.00 0.00 C ATOM 730 CG ASP A 48 -6.772 4.940 6.679 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.001 4.501 7.558 1.00 0.00 O ATOM 732 OD2 ASP A 48 -7.726 5.708 6.926 1.00 0.00 O ATOM 0 H ASP A 48 -5.943 4.375 2.853 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.043 6.034 4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.331 4.929 4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.606 3.433 5.169 1.00 0.00 H new ATOM 737 N TRP A 49 -3.941 2.915 4.990 1.00 0.00 N ATOM 738 CA TRP A 49 -2.914 2.044 5.550 1.00 0.00 C ATOM 739 C TRP A 49 -1.525 2.642 5.351 1.00 0.00 C ATOM 740 O TRP A 49 -0.735 2.727 6.292 1.00 0.00 O ATOM 741 CB TRP A 49 -2.983 0.659 4.903 1.00 0.00 C ATOM 742 CG TRP A 49 -1.668 -0.061 4.898 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.106 -0.733 3.851 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.754 -0.182 5.993 1.00 0.00 C ATOM 745 NE1 TRP A 49 0.104 -1.264 4.229 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.343 -0.940 5.538 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.753 0.278 7.313 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.426 -1.247 6.357 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.323 -0.028 8.124 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.400 -0.784 7.644 1.00 0.00 C ATOM 0 H TRP A 49 -4.539 2.469 4.294 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.098 1.948 6.620 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.718 0.054 5.434 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.336 0.762 3.877 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.547 -0.833 2.870 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.724 -1.811 3.631 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.578 0.862 7.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.257 -1.830 5.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.334 0.322 9.146 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.226 -1.006 8.303 1.00 0.00 H new ATOM 761 N LEU A 50 -1.234 3.056 4.123 1.00 0.00 N ATOM 762 CA LEU A 50 0.060 3.647 3.801 1.00 0.00 C ATOM 763 C LEU A 50 0.272 4.946 4.573 1.00 0.00 C ATOM 764 O LEU A 50 1.326 5.158 5.172 1.00 0.00 O ATOM 765 CB LEU A 50 0.163 3.911 2.298 1.00 0.00 C ATOM 766 CG LEU A 50 1.579 4.032 1.733 1.00 0.00 C ATOM 767 CD1 LEU A 50 1.629 3.514 0.304 1.00 0.00 C ATOM 768 CD2 LEU A 50 2.057 5.475 1.797 1.00 0.00 C ATOM 0 H LEU A 50 -1.877 2.993 3.334 1.00 0.00 H new ATOM 0 HA LEU A 50 0.837 2.941 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.349 3.105 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.376 4.831 2.073 1.00 0.00 H new ATOM 0 HG LEU A 50 2.246 3.422 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.644 3.608 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.330 2.466 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.949 4.096 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.066 5.542 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.388 6.106 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.060 5.812 2.834 1.00 0.00 H new ATOM 780 N TYR A 51 -0.736 5.810 4.555 1.00 0.00 N ATOM 781 CA TYR A 51 -0.661 7.088 5.252 1.00 0.00 C ATOM 782 C TYR A 51 -0.107 6.907 6.662 1.00 0.00 C ATOM 783 O TYR A 51 0.922 7.483 7.016 1.00 0.00 O ATOM 784 CB TYR A 51 -2.042 7.742 5.314 1.00 0.00 C ATOM 785 CG TYR A 51 -2.107 8.934 6.242 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.667 10.185 5.828 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.606 8.809 7.533 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.723 11.278 6.672 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.667 9.896 8.383 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.225 11.128 7.948 1.00 0.00 C ATOM 791 OH TYR A 51 -2.283 12.213 8.793 1.00 0.00 O ATOM 0 H TYR A 51 -1.616 5.648 4.065 1.00 0.00 H new ATOM 0 HA TYR A 51 0.015 7.737 4.696 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.331 8.057 4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.772 7.000 5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.274 10.306 4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.952 7.846 7.877 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.376 12.243 6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.059 9.782 9.383 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.663 11.938 9.653 1.00 0.00 H new ATOM 801 N ASP A 52 -0.798 6.102 7.463 1.00 0.00 N ATOM 802 CA ASP A 52 -0.376 5.842 8.834 1.00 0.00 C ATOM 803 C ASP A 52 1.071 5.359 8.876 1.00 0.00 C ATOM 804 O ASP A 52 1.850 5.774 9.734 1.00 0.00 O ATOM 805 CB ASP A 52 -1.292 4.805 9.484 1.00 0.00 C ATOM 806 CG ASP A 52 -1.361 4.956 10.991 1.00 0.00 C ATOM 807 OD1 ASP A 52 -1.441 6.107 11.469 1.00 0.00 O ATOM 808 OD2 ASP A 52 -1.336 3.923 11.692 1.00 0.00 O ATOM 0 H ASP A 52 -1.652 5.619 7.186 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.444 6.776 9.392 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.295 4.898 9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.935 3.805 9.238 1.00 0.00 H new ATOM 813 N LEU A 53 1.422 4.480 7.944 1.00 0.00 N ATOM 814 CA LEU A 53 2.775 3.939 7.874 1.00 0.00 C ATOM 815 C LEU A 53 3.798 5.054 7.684 1.00 0.00 C ATOM 816 O LEU A 53 4.861 5.049 8.306 1.00 0.00 O ATOM 817 CB LEU A 53 2.884 2.931 6.729 1.00 0.00 C ATOM 818 CG LEU A 53 4.300 2.497 6.349 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.919 1.662 7.460 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.287 1.720 5.040 1.00 0.00 C ATOM 0 H LEU A 53 0.789 4.127 7.227 1.00 0.00 H new ATOM 0 HA LEU A 53 2.987 3.433 8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.313 2.042 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.408 3.360 5.847 1.00 0.00 H new ATOM 0 HG LEU A 53 4.908 3.391 6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.927 1.362 7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.964 2.251 8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.311 0.774 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.303 1.419 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.663 0.833 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.886 2.350 4.247 1.00 0.00 H new ATOM 832 N LEU A 54 3.470 6.010 6.822 1.00 0.00 N ATOM 833 CA LEU A 54 4.360 7.134 6.551 1.00 0.00 C ATOM 834 C LEU A 54 4.581 7.969 7.808 1.00 0.00 C ATOM 835 O LEU A 54 5.699 8.064 8.314 1.00 0.00 O ATOM 836 CB LEU A 54 3.782 8.011 5.438 1.00 0.00 C ATOM 837 CG LEU A 54 3.555 7.322 4.092 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.804 8.243 3.142 1.00 0.00 C ATOM 839 CD2 LEU A 54 4.882 6.892 3.483 1.00 0.00 C ATOM 0 H LEU A 54 2.595 6.030 6.299 1.00 0.00 H new ATOM 0 HA LEU A 54 5.322 6.734 6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.831 8.418 5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.453 8.856 5.283 1.00 0.00 H new ATOM 0 HG LEU A 54 2.949 6.432 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.651 7.736 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.838 8.502 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.385 9.151 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.702 6.403 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.513 7.768 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.383 6.197 4.156 1.00 0.00 H new ATOM 851 N ARG A 55 3.507 8.571 8.309 1.00 0.00 N ATOM 852 CA ARG A 55 3.583 9.397 9.508 1.00 0.00 C ATOM 853 C ARG A 55 4.321 8.667 10.625 1.00 0.00 C ATOM 854 O ARG A 55 5.135 9.256 11.334 1.00 0.00 O ATOM 855 CB ARG A 55 2.179 9.784 9.977 1.00 0.00 C ATOM 856 CG ARG A 55 1.356 8.606 10.472 1.00 0.00 C ATOM 857 CD ARG A 55 0.031 9.061 11.062 1.00 0.00 C ATOM 858 NE ARG A 55 0.141 9.363 12.487 1.00 0.00 N ATOM 859 CZ ARG A 55 -0.722 10.129 13.144 1.00 0.00 C ATOM 860 NH1 ARG A 55 -1.754 10.668 12.508 1.00 0.00 N ATOM 861 NH2 ARG A 55 -0.555 10.358 14.440 1.00 0.00 N ATOM 0 H ARG A 55 2.574 8.502 7.903 1.00 0.00 H new ATOM 0 HA ARG A 55 4.138 10.302 9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.262 10.520 10.777 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.650 10.266 9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.171 7.918 9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.921 8.057 11.225 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.318 9.946 10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.718 8.283 10.913 1.00 0.00 H new ATOM 0 HE ARG A 55 0.923 8.964 13.006 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.886 10.494 11.512 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.415 11.256 13.015 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.237 9.945 14.933 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.219 10.947 14.944 1.00 0.00 H new ATOM 875 N ASN A 56 4.029 7.379 10.777 1.00 0.00 N ATOM 876 CA ASN A 56 4.664 6.567 11.809 1.00 0.00 C ATOM 877 C ASN A 56 6.169 6.814 11.845 1.00 0.00 C ATOM 878 O ASN A 56 6.778 6.845 12.914 1.00 0.00 O ATOM 879 CB ASN A 56 4.385 5.083 11.564 1.00 0.00 C ATOM 880 CG ASN A 56 5.345 4.182 12.317 1.00 0.00 C ATOM 881 OD1 ASN A 56 5.004 3.630 13.363 1.00 0.00 O ATOM 882 ND2 ASN A 56 6.553 4.030 11.787 1.00 0.00 N ATOM 0 H ASN A 56 3.357 6.875 10.199 1.00 0.00 H new ATOM 0 HA ASN A 56 4.243 6.854 12.773 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.363 4.854 11.866 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.456 4.874 10.497 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.242 3.436 12.249 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.792 4.507 10.918 1.00 0.00 H new ATOM 889 N ASN A 57 6.763 6.989 10.669 1.00 0.00 N ATOM 890 CA ASN A 57 8.198 7.233 10.566 1.00 0.00 C ATOM 891 C ASN A 57 8.548 8.634 11.061 1.00 0.00 C ATOM 892 O ASN A 57 7.668 9.413 11.425 1.00 0.00 O ATOM 893 CB ASN A 57 8.663 7.060 9.119 1.00 0.00 C ATOM 894 CG ASN A 57 10.146 6.759 9.021 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.814 6.539 10.031 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.667 6.748 7.799 1.00 0.00 N ATOM 0 H ASN A 57 6.274 6.966 9.774 1.00 0.00 H new ATOM 0 HA ASN A 57 8.712 6.506 11.195 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.099 6.252 8.653 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.441 7.968 8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.659 6.551 7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.075 6.936 6.990 1.00 0.00 H new ATOM 903 N SER A 58 9.840 8.946 11.070 1.00 0.00 N ATOM 904 CA SER A 58 10.308 10.251 11.522 1.00 0.00 C ATOM 905 C SER A 58 10.503 11.197 10.341 1.00 0.00 C ATOM 906 O SER A 58 10.110 12.362 10.393 1.00 0.00 O ATOM 907 CB SER A 58 11.619 10.106 12.296 1.00 0.00 C ATOM 908 OG SER A 58 12.087 11.365 12.748 1.00 0.00 O ATOM 0 H SER A 58 10.581 8.313 10.769 1.00 0.00 H new ATOM 0 HA SER A 58 9.550 10.673 12.182 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.470 9.443 13.148 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.372 9.642 11.659 1.00 0.00 H new ATOM 0 HG SER A 58 12.925 11.245 13.241 1.00 0.00 H new ATOM 914 N ASN A 59 11.115 10.687 9.277 1.00 0.00 N ATOM 915 CA ASN A 59 11.364 11.486 8.083 1.00 0.00 C ATOM 916 C ASN A 59 10.077 12.139 7.587 1.00 0.00 C ATOM 917 O ASN A 59 10.023 13.351 7.381 1.00 0.00 O ATOM 918 CB ASN A 59 11.966 10.615 6.978 1.00 0.00 C ATOM 919 CG ASN A 59 12.769 11.424 5.977 1.00 0.00 C ATOM 920 OD1 ASN A 59 12.715 12.654 5.971 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.519 10.734 5.126 1.00 0.00 N ATOM 0 H ASN A 59 11.447 9.725 9.217 1.00 0.00 H new ATOM 0 HA ASN A 59 12.072 12.272 8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.608 9.856 7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.166 10.089 6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.082 11.223 4.430 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.532 9.715 5.168 1.00 0.00 H new ATOM 928 N PHE A 60 9.043 11.326 7.398 1.00 0.00 N ATOM 929 CA PHE A 60 7.756 11.824 6.926 1.00 0.00 C ATOM 930 C PHE A 60 7.058 12.641 8.009 1.00 0.00 C ATOM 931 O PHE A 60 6.780 13.826 7.826 1.00 0.00 O ATOM 932 CB PHE A 60 6.862 10.660 6.494 1.00 0.00 C ATOM 933 CG PHE A 60 7.445 9.837 5.382 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.346 8.820 5.654 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.092 10.079 4.064 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.885 8.061 4.632 1.00 0.00 C ATOM 937 CE2 PHE A 60 7.628 9.323 3.038 1.00 0.00 C ATOM 938 CZ PHE A 60 8.525 8.313 3.322 1.00 0.00 C ATOM 0 H PHE A 60 9.071 10.320 7.564 1.00 0.00 H new ATOM 0 HA PHE A 60 7.938 12.471 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.677 10.016 7.354 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.896 11.053 6.177 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.630 8.618 6.676 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.390 10.867 3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.587 7.272 4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.345 9.523 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.945 7.721 2.522 1.00 0.00 H new ATOM 948 N GLY A 61 6.778 11.999 9.139 1.00 0.00 N ATOM 949 CA GLY A 61 6.115 12.680 10.235 1.00 0.00 C ATOM 950 C GLY A 61 4.625 12.837 10.004 1.00 0.00 C ATOM 951 O GLY A 61 4.096 12.471 8.954 1.00 0.00 O ATOM 0 H GLY A 61 6.999 11.019 9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.280 12.123 11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.564 13.664 10.372 1.00 0.00 H new ATOM 955 N PRO A 62 3.923 13.393 11.002 1.00 0.00 N ATOM 956 CA PRO A 62 2.475 13.610 10.926 1.00 0.00 C ATOM 957 C PRO A 62 2.103 14.700 9.927 1.00 0.00 C ATOM 958 O PRO A 62 0.929 14.893 9.614 1.00 0.00 O ATOM 959 CB PRO A 62 2.106 14.039 12.348 1.00 0.00 C ATOM 960 CG PRO A 62 3.357 14.625 12.904 1.00 0.00 C ATOM 961 CD PRO A 62 4.488 13.853 12.282 1.00 0.00 C ATOM 0 HA PRO A 62 1.947 12.720 10.584 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.295 14.768 12.344 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.768 13.190 12.942 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.431 15.686 12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.378 14.541 13.991 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.367 14.479 12.131 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.796 13.016 12.909 1.00 0.00 H new ATOM 969 N GLU A 63 3.112 15.409 9.430 1.00 0.00 N ATOM 970 CA GLU A 63 2.889 16.481 8.466 1.00 0.00 C ATOM 971 C GLU A 63 2.418 15.919 7.128 1.00 0.00 C ATOM 972 O GLU A 63 1.706 16.587 6.377 1.00 0.00 O ATOM 973 CB GLU A 63 4.171 17.293 8.268 1.00 0.00 C ATOM 974 CG GLU A 63 5.358 16.457 7.819 1.00 0.00 C ATOM 975 CD GLU A 63 6.563 17.303 7.455 1.00 0.00 C ATOM 976 OE1 GLU A 63 7.148 17.923 8.368 1.00 0.00 O ATOM 977 OE2 GLU A 63 6.920 17.345 6.260 1.00 0.00 O ATOM 0 H GLU A 63 4.090 15.261 9.678 1.00 0.00 H new ATOM 0 HA GLU A 63 2.111 17.134 8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.987 18.073 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.423 17.793 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.632 15.765 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.068 15.854 6.958 1.00 0.00 H new ATOM 984 N VAL A 64 2.820 14.686 6.835 1.00 0.00 N ATOM 985 CA VAL A 64 2.439 14.034 5.588 1.00 0.00 C ATOM 986 C VAL A 64 0.926 14.044 5.403 1.00 0.00 C ATOM 987 O VAL A 64 0.172 13.801 6.345 1.00 0.00 O ATOM 988 CB VAL A 64 2.942 12.579 5.540 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.171 11.714 6.526 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.828 12.022 4.129 1.00 0.00 C ATOM 0 H VAL A 64 3.409 14.119 7.444 1.00 0.00 H new ATOM 0 HA VAL A 64 2.904 14.598 4.780 1.00 0.00 H new ATOM 0 HB VAL A 64 3.993 12.567 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.540 10.690 6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.308 12.102 7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.111 11.730 6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.188 10.993 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.786 12.047 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.429 12.627 3.450 1.00 0.00 H new ATOM 1000 N THR A 65 0.487 14.327 4.180 1.00 0.00 N ATOM 1001 CA THR A 65 -0.936 14.369 3.870 1.00 0.00 C ATOM 1002 C THR A 65 -1.316 13.276 2.877 1.00 0.00 C ATOM 1003 O THR A 65 -0.478 12.807 2.106 1.00 0.00 O ATOM 1004 CB THR A 65 -1.344 15.737 3.290 1.00 0.00 C ATOM 1005 OG1 THR A 65 -2.771 15.829 3.210 1.00 0.00 O ATOM 1006 CG2 THR A 65 -0.739 15.942 1.910 1.00 0.00 C ATOM 0 H THR A 65 1.097 14.530 3.388 1.00 0.00 H new ATOM 0 HA THR A 65 -1.468 14.205 4.807 1.00 0.00 H new ATOM 0 HB THR A 65 -0.967 16.515 3.953 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.022 16.702 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.041 16.914 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.348 15.901 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.090 15.158 1.239 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.582 12.875 2.902 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.072 11.836 2.004 1.00 0.00 C ATOM 1016 C ARG A 66 -2.478 11.999 0.608 1.00 0.00 C ATOM 1017 O ARG A 66 -1.914 11.058 0.050 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.599 11.876 1.927 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.189 10.853 0.970 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.656 11.135 0.689 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.519 10.684 1.778 1.00 0.00 N ATOM 1022 CZ ARG A 66 -7.793 11.418 2.850 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -7.276 12.632 2.977 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -8.587 10.938 3.799 1.00 0.00 N ATOM 0 H ARG A 66 -3.287 13.253 3.534 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.760 10.871 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.009 11.708 2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.912 12.873 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.630 10.863 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.084 9.854 1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.796 12.205 0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.950 10.638 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.934 9.755 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.666 13.005 2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.489 13.193 3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.987 10.005 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.797 11.503 4.622 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.609 13.199 0.051 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.086 13.484 -1.280 1.00 0.00 C ATOM 1040 C GLN A 67 -0.743 12.794 -1.496 1.00 0.00 C ATOM 1041 O GLN A 67 -0.528 12.141 -2.517 1.00 0.00 O ATOM 1042 CB GLN A 67 -1.935 14.993 -1.479 1.00 0.00 C ATOM 1043 CG GLN A 67 -3.180 15.660 -2.042 1.00 0.00 C ATOM 1044 CD GLN A 67 -2.941 17.103 -2.437 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -1.972 17.417 -3.129 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -3.825 17.992 -1.999 1.00 0.00 N ATOM 0 H GLN A 67 -3.072 13.989 0.500 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.795 13.097 -2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.687 15.454 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.097 15.181 -2.151 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.525 15.101 -2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.977 15.618 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.614 17.688 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.715 18.979 -2.234 1.00 0.00 H new ATOM 1055 N GLN A 68 0.156 12.944 -0.529 1.00 0.00 N ATOM 1056 CA GLN A 68 1.479 12.336 -0.616 1.00 0.00 C ATOM 1057 C GLN A 68 1.372 10.828 -0.819 1.00 0.00 C ATOM 1058 O GLN A 68 2.079 10.250 -1.646 1.00 0.00 O ATOM 1059 CB GLN A 68 2.285 12.636 0.649 1.00 0.00 C ATOM 1060 CG GLN A 68 2.866 14.041 0.681 1.00 0.00 C ATOM 1061 CD GLN A 68 3.985 14.187 1.693 1.00 0.00 C ATOM 1062 OE1 GLN A 68 3.854 14.910 2.681 1.00 0.00 O ATOM 1063 NE2 GLN A 68 5.095 13.499 1.451 1.00 0.00 N ATOM 0 H GLN A 68 -0.007 13.481 0.323 1.00 0.00 H new ATOM 0 HA GLN A 68 1.993 12.765 -1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.644 12.497 1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.097 11.914 0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.242 14.297 -0.310 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.074 14.752 0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.160 12.912 0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.882 13.558 2.097 1.00 0.00 H new ATOM 1072 N THR A 69 0.484 10.195 -0.059 1.00 0.00 N ATOM 1073 CA THR A 69 0.286 8.754 -0.154 1.00 0.00 C ATOM 1074 C THR A 69 -0.023 8.335 -1.587 1.00 0.00 C ATOM 1075 O THR A 69 0.574 7.394 -2.111 1.00 0.00 O ATOM 1076 CB THR A 69 -0.857 8.282 0.765 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.652 8.775 2.093 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.940 6.763 0.788 1.00 0.00 C ATOM 0 H THR A 69 -0.110 10.658 0.629 1.00 0.00 H new ATOM 0 HA THR A 69 1.217 8.285 0.166 1.00 0.00 H new ATOM 0 HB THR A 69 -1.795 8.675 0.374 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.510 9.059 2.473 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.754 6.453 1.443 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.125 6.393 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.000 6.353 1.158 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.958 9.039 -2.215 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.345 8.740 -3.589 1.00 0.00 C ATOM 1088 C ILE A 70 -0.153 8.856 -4.533 1.00 0.00 C ATOM 1089 O ILE A 70 0.018 8.037 -5.435 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.464 9.680 -4.076 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.690 9.561 -3.168 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.833 9.362 -5.517 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.662 10.711 -3.311 1.00 0.00 C ATOM 0 H ILE A 70 -1.462 9.820 -1.795 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.714 7.714 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.101 10.707 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.208 8.628 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.360 9.502 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.625 10.035 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.958 9.492 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.181 8.331 -5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.506 10.560 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.160 11.645 -3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.022 10.758 -4.339 1.00 0.00 H new ATOM 1105 N GLN A 71 0.669 9.878 -4.317 1.00 0.00 N ATOM 1106 CA GLN A 71 1.846 10.100 -5.148 1.00 0.00 C ATOM 1107 C GLN A 71 2.844 8.958 -4.994 1.00 0.00 C ATOM 1108 O GLN A 71 3.281 8.364 -5.981 1.00 0.00 O ATOM 1109 CB GLN A 71 2.512 11.428 -4.782 1.00 0.00 C ATOM 1110 CG GLN A 71 1.989 12.612 -5.579 1.00 0.00 C ATOM 1111 CD GLN A 71 3.006 13.729 -5.700 1.00 0.00 C ATOM 1112 OE1 GLN A 71 4.118 13.631 -5.180 1.00 0.00 O ATOM 1113 NE2 GLN A 71 2.630 14.800 -6.390 1.00 0.00 N ATOM 0 H GLN A 71 0.541 10.565 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 71 1.523 10.138 -6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.360 11.620 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.587 11.341 -4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.703 12.276 -6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.088 12.997 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.699 14.839 -6.804 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.273 15.584 -6.506 1.00 0.00 H new ATOM 1122 N LEU A 72 3.202 8.654 -3.752 1.00 0.00 N ATOM 1123 CA LEU A 72 4.150 7.582 -3.468 1.00 0.00 C ATOM 1124 C LEU A 72 3.632 6.245 -3.990 1.00 0.00 C ATOM 1125 O LEU A 72 4.386 5.454 -4.557 1.00 0.00 O ATOM 1126 CB LEU A 72 4.410 7.489 -1.964 1.00 0.00 C ATOM 1127 CG LEU A 72 5.101 6.214 -1.480 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.502 6.112 -2.062 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.149 6.177 0.041 1.00 0.00 C ATOM 0 H LEU A 72 2.850 9.135 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 72 5.085 7.813 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.019 8.343 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.456 7.581 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 72 4.523 5.357 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.978 5.198 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.443 6.091 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.090 6.974 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.644 5.262 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.703 7.041 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.134 6.201 0.438 1.00 0.00 H new ATOM 1141 N LEU A 73 2.340 6.001 -3.796 1.00 0.00 N ATOM 1142 CA LEU A 73 1.720 4.761 -4.249 1.00 0.00 C ATOM 1143 C LEU A 73 2.051 4.490 -5.713 1.00 0.00 C ATOM 1144 O LEU A 73 2.331 3.354 -6.096 1.00 0.00 O ATOM 1145 CB LEU A 73 0.203 4.828 -4.061 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.534 3.488 -4.070 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.325 2.755 -2.754 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.017 3.698 -4.336 1.00 0.00 C ATOM 0 H LEU A 73 1.702 6.645 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 73 2.119 3.944 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.004 5.327 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.214 5.454 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.124 2.875 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.857 1.804 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.739 2.572 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.707 3.363 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.526 2.734 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.441 4.330 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.148 4.181 -5.304 1.00 0.00 H new ATOM 1160 N ARG A 74 2.018 5.540 -6.526 1.00 0.00 N ATOM 1161 CA ARG A 74 2.315 5.416 -7.948 1.00 0.00 C ATOM 1162 C ARG A 74 3.594 4.613 -8.168 1.00 0.00 C ATOM 1163 O ARG A 74 3.688 3.818 -9.103 1.00 0.00 O ATOM 1164 CB ARG A 74 2.453 6.800 -8.586 1.00 0.00 C ATOM 1165 CG ARG A 74 1.134 7.544 -8.717 1.00 0.00 C ATOM 1166 CD ARG A 74 1.353 9.008 -9.064 1.00 0.00 C ATOM 1167 NE ARG A 74 0.192 9.592 -9.731 1.00 0.00 N ATOM 1168 CZ ARG A 74 0.261 10.646 -10.536 1.00 0.00 C ATOM 1169 NH1 ARG A 74 1.428 11.229 -10.773 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -0.840 11.120 -11.106 1.00 0.00 N ATOM 0 H ARG A 74 1.788 6.487 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 74 1.488 4.887 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.141 7.399 -7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.900 6.692 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.524 7.073 -9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.578 7.470 -7.782 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.568 9.568 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.227 9.101 -9.709 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.721 9.167 -9.570 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.276 10.868 -10.337 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.477 12.038 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.740 10.675 -10.926 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.786 11.930 -11.724 1.00 0.00 H new ATOM 1184 N LYS A 75 4.577 4.827 -7.300 1.00 0.00 N ATOM 1185 CA LYS A 75 5.850 4.124 -7.398 1.00 0.00 C ATOM 1186 C LYS A 75 5.663 2.626 -7.180 1.00 0.00 C ATOM 1187 O LYS A 75 6.197 1.808 -7.929 1.00 0.00 O ATOM 1188 CB LYS A 75 6.842 4.679 -6.373 1.00 0.00 C ATOM 1189 CG LYS A 75 7.350 6.070 -6.709 1.00 0.00 C ATOM 1190 CD LYS A 75 8.330 6.574 -5.663 1.00 0.00 C ATOM 1191 CE LYS A 75 9.137 7.756 -6.179 1.00 0.00 C ATOM 1192 NZ LYS A 75 8.320 9.000 -6.242 1.00 0.00 N ATOM 0 H LYS A 75 4.516 5.482 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 75 6.247 4.280 -8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.364 4.703 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.691 4.000 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.834 6.055 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.508 6.758 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.786 6.868 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.006 5.768 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.998 7.919 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.525 7.526 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.906 9.782 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.513 8.853 -6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.971 9.234 -5.291 1.00 0.00 H new ATOM 1206 N PHE A 76 4.900 2.273 -6.150 1.00 0.00 N ATOM 1207 CA PHE A 76 4.642 0.873 -5.835 1.00 0.00 C ATOM 1208 C PHE A 76 4.215 0.104 -7.082 1.00 0.00 C ATOM 1209 O PHE A 76 4.747 -0.967 -7.378 1.00 0.00 O ATOM 1210 CB PHE A 76 3.560 0.762 -4.758 1.00 0.00 C ATOM 1211 CG PHE A 76 4.070 1.016 -3.368 1.00 0.00 C ATOM 1212 CD1 PHE A 76 4.446 2.291 -2.977 1.00 0.00 C ATOM 1213 CD2 PHE A 76 4.173 -0.020 -2.454 1.00 0.00 C ATOM 1214 CE1 PHE A 76 4.915 2.528 -1.698 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.640 0.212 -1.174 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.013 1.487 -0.796 1.00 0.00 C ATOM 0 H PHE A 76 4.450 2.937 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 76 5.566 0.435 -5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.764 1.472 -4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.119 -0.234 -4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.372 3.109 -3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.885 -1.020 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.204 3.526 -1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.713 -0.603 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.381 1.669 0.203 1.00 0.00 H new ATOM 1226 N LEU A 77 3.251 0.657 -7.809 1.00 0.00 N ATOM 1227 CA LEU A 77 2.750 0.024 -9.024 1.00 0.00 C ATOM 1228 C LEU A 77 3.813 0.030 -10.118 1.00 0.00 C ATOM 1229 O LEU A 77 3.987 -0.956 -10.835 1.00 0.00 O ATOM 1230 CB LEU A 77 1.492 0.742 -9.516 1.00 0.00 C ATOM 1231 CG LEU A 77 0.900 0.235 -10.831 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.189 -1.093 -10.620 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.052 1.265 -11.420 1.00 0.00 C ATOM 0 H LEU A 77 2.800 1.543 -7.578 1.00 0.00 H new ATOM 0 HA LEU A 77 2.501 -1.011 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.728 0.664 -8.743 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.723 1.801 -9.630 1.00 0.00 H new ATOM 0 HG LEU A 77 1.715 0.078 -11.537 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.226 -1.438 -11.567 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.899 -1.830 -10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.616 -0.964 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.464 0.887 -12.356 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.863 1.455 -10.717 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.488 2.193 -11.610 1.00 0.00 H new ATOM 1245 N LYS A 78 4.524 1.146 -10.240 1.00 0.00 N ATOM 1246 CA LYS A 78 5.573 1.280 -11.244 1.00 0.00 C ATOM 1247 C LYS A 78 6.669 0.242 -11.027 1.00 0.00 C ATOM 1248 O LYS A 78 7.282 -0.235 -11.981 1.00 0.00 O ATOM 1249 CB LYS A 78 6.172 2.688 -11.199 1.00 0.00 C ATOM 1250 CG LYS A 78 7.555 2.740 -10.572 1.00 0.00 C ATOM 1251 CD LYS A 78 8.153 4.135 -10.656 1.00 0.00 C ATOM 1252 CE LYS A 78 9.397 4.260 -9.791 1.00 0.00 C ATOM 1253 NZ LYS A 78 10.554 3.526 -10.373 1.00 0.00 N ATOM 0 H LYS A 78 4.393 1.971 -9.655 1.00 0.00 H new ATOM 0 HA LYS A 78 5.128 1.112 -12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.227 3.083 -12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.503 3.341 -10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.494 2.431 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.211 2.031 -11.076 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.404 4.363 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.413 4.869 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.655 5.313 -9.677 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.186 3.873 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.382 3.636 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.317 2.517 -10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.772 3.912 -11.314 1.00 0.00 H new ATOM 1267 N ASN A 79 6.909 -0.104 -9.767 1.00 0.00 N ATOM 1268 CA ASN A 79 7.931 -1.087 -9.426 1.00 0.00 C ATOM 1269 C ASN A 79 7.356 -2.500 -9.446 1.00 0.00 C ATOM 1270 O ASN A 79 8.028 -3.461 -9.071 1.00 0.00 O ATOM 1271 CB ASN A 79 8.519 -0.784 -8.046 1.00 0.00 C ATOM 1272 CG ASN A 79 9.662 0.210 -8.110 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.635 0.009 -8.838 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.550 1.291 -7.346 1.00 0.00 N ATOM 0 H ASN A 79 6.410 0.281 -8.965 1.00 0.00 H new ATOM 0 HA ASN A 79 8.722 -1.025 -10.173 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.735 -0.391 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 79 8.872 -1.711 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.288 1.995 -7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.726 1.417 -6.758 1.00 0.00 H new ATOM 1281 N HIS A 80 6.108 -2.618 -9.888 1.00 0.00 N ATOM 1282 CA HIS A 80 5.441 -3.914 -9.960 1.00 0.00 C ATOM 1283 C HIS A 80 5.245 -4.501 -8.565 1.00 0.00 C ATOM 1284 O HIS A 80 5.323 -5.715 -8.375 1.00 0.00 O ATOM 1285 CB HIS A 80 6.252 -4.881 -10.824 1.00 0.00 C ATOM 1286 CG HIS A 80 5.456 -6.047 -11.325 1.00 0.00 C ATOM 1287 ND1 HIS A 80 5.870 -6.847 -12.368 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.266 -6.546 -10.918 1.00 0.00 C ATOM 1289 CE1 HIS A 80 4.968 -7.788 -12.583 1.00 0.00 C ATOM 1290 NE2 HIS A 80 3.984 -7.628 -11.716 1.00 0.00 N ATOM 0 H HIS A 80 5.538 -1.832 -10.202 1.00 0.00 H new ATOM 0 HA HIS A 80 4.461 -3.767 -10.415 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.662 -4.338 -11.676 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.098 -5.251 -10.245 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.652 -6.165 -10.115 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.025 -8.557 -13.339 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.151 -8.213 -11.650 1.00 0.00 H new ATOM 1298 N VAL A 81 4.991 -3.632 -7.592 1.00 0.00 N ATOM 1299 CA VAL A 81 4.784 -4.065 -6.216 1.00 0.00 C ATOM 1300 C VAL A 81 3.356 -4.554 -6.003 1.00 0.00 C ATOM 1301 O VAL A 81 3.104 -5.418 -5.162 1.00 0.00 O ATOM 1302 CB VAL A 81 5.079 -2.928 -5.219 1.00 0.00 C ATOM 1303 CG1 VAL A 81 4.975 -3.431 -3.788 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.453 -2.331 -5.485 1.00 0.00 C ATOM 0 H VAL A 81 4.924 -2.624 -7.732 1.00 0.00 H new ATOM 0 HA VAL A 81 5.478 -4.886 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 81 4.334 -2.144 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.187 -2.614 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.968 -3.807 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.696 -4.234 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.646 -1.529 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.213 -3.104 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.486 -1.931 -6.498 1.00 0.00 H new ATOM 1314 N ILE A 82 2.424 -3.996 -6.769 1.00 0.00 N ATOM 1315 CA ILE A 82 1.021 -4.377 -6.665 1.00 0.00 C ATOM 1316 C ILE A 82 0.374 -4.471 -8.043 1.00 0.00 C ATOM 1317 O ILE A 82 0.419 -3.524 -8.826 1.00 0.00 O ATOM 1318 CB ILE A 82 0.228 -3.375 -5.805 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.484 -1.944 -6.284 1.00 0.00 C ATOM 1320 CG2 ILE A 82 0.603 -3.524 -4.338 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.392 -0.915 -5.605 1.00 0.00 C ATOM 0 H ILE A 82 2.616 -3.279 -7.468 1.00 0.00 H new ATOM 0 HA ILE A 82 0.994 -5.356 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.836 -3.589 -5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.530 -1.692 -6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.321 -1.895 -7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.035 -2.809 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.375 -4.536 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.669 -3.333 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.157 0.076 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.440 -1.142 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.212 -0.936 -4.530 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.229 -5.621 -8.330 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.887 -5.838 -9.613 1.00 0.00 C ATOM 1335 C GLU A 83 -2.397 -5.653 -9.488 1.00 0.00 C ATOM 1336 O GLU A 83 -3.022 -6.171 -8.562 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.575 -7.240 -10.140 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.604 -7.761 -11.129 1.00 0.00 C ATOM 1339 CD GLU A 83 -1.098 -8.948 -11.926 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.396 -8.728 -12.935 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.405 -10.095 -11.542 1.00 0.00 O ATOM 0 H GLU A 83 -0.275 -6.416 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.505 -5.100 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.404 -7.229 -10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.511 -7.930 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.507 -8.048 -10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.882 -6.960 -11.814 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.975 -4.913 -10.427 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.411 -4.659 -10.424 1.00 0.00 C ATOM 1350 C ASP A 84 -5.194 -5.968 -10.389 1.00 0.00 C ATOM 1351 O ASP A 84 -4.610 -7.052 -10.410 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.810 -3.845 -11.655 1.00 0.00 C ATOM 1353 CG ASP A 84 -4.133 -2.489 -11.697 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -2.885 -2.449 -11.722 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -4.851 -1.468 -11.705 1.00 0.00 O ATOM 0 H ASP A 84 -2.471 -4.478 -11.200 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.652 -4.088 -9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.554 -4.404 -12.555 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.891 -3.708 -11.662 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.517 -5.860 -10.335 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.379 -7.035 -10.297 1.00 0.00 C ATOM 1362 C ILE A 85 -7.316 -7.804 -11.612 1.00 0.00 C ATOM 1363 O ILE A 85 -7.445 -9.029 -11.634 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.842 -6.651 -10.009 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.741 -7.887 -10.082 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.314 -5.588 -10.990 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -9.640 -8.780 -8.865 1.00 0.00 C ATOM 0 H ILE A 85 -7.016 -4.970 -10.317 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.013 -7.669 -9.489 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.902 -6.240 -9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.776 -7.567 -10.203 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.480 -8.464 -10.969 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.350 -5.327 -10.773 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.689 -4.700 -10.894 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.242 -5.974 -12.007 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.304 -9.636 -8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.614 -9.130 -8.755 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.930 -8.219 -7.977 1.00 0.00 H new ATOM 1379 N LYS A 86 -7.117 -7.079 -12.707 1.00 0.00 N ATOM 1380 CA LYS A 86 -7.034 -7.692 -14.027 1.00 0.00 C ATOM 1381 C LYS A 86 -5.625 -8.212 -14.298 1.00 0.00 C ATOM 1382 O LYS A 86 -5.448 -9.334 -14.771 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.432 -6.684 -15.107 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.933 -6.477 -15.221 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.553 -7.439 -16.221 1.00 0.00 C ATOM 1386 CE LYS A 86 -9.313 -6.986 -17.653 1.00 0.00 C ATOM 1387 NZ LYS A 86 -9.429 -8.115 -18.618 1.00 0.00 N ATOM 0 H LYS A 86 -7.010 -6.065 -12.706 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.725 -8.534 -14.052 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.957 -5.727 -14.892 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.046 -7.023 -16.069 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.396 -6.617 -14.244 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.138 -5.451 -15.526 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.133 -8.435 -16.078 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.625 -7.516 -16.037 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.032 -6.210 -17.914 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.321 -6.541 -17.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.259 -7.766 -19.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.726 -8.845 -18.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.384 -8.524 -18.561 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.626 -7.390 -13.992 1.00 0.00 N ATOM 1402 CA GLY A 87 -3.247 -7.785 -14.208 1.00 0.00 C ATOM 1403 C GLY A 87 -2.413 -6.674 -14.814 1.00 0.00 C ATOM 1404 O GLY A 87 -1.609 -6.913 -15.715 1.00 0.00 O ATOM 0 H GLY A 87 -4.748 -6.457 -13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.807 -8.089 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.220 -8.655 -14.865 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.606 -5.455 -14.321 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.867 -4.303 -14.822 1.00 0.00 C ATOM 1410 C ARG A 88 -0.734 -3.927 -13.872 1.00 0.00 C ATOM 1411 O ARG A 88 -0.975 -3.479 -12.751 1.00 0.00 O ATOM 1412 CB ARG A 88 -2.807 -3.110 -15.009 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.606 -3.160 -16.301 1.00 0.00 C ATOM 1414 CD ARG A 88 -2.806 -2.613 -17.473 1.00 0.00 C ATOM 1415 NE ARG A 88 -3.583 -2.607 -18.710 1.00 0.00 N ATOM 1416 CZ ARG A 88 -3.161 -2.050 -19.839 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -1.976 -1.457 -19.887 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -3.924 -2.085 -20.924 1.00 0.00 N ATOM 0 H ARG A 88 -3.268 -5.240 -13.575 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.435 -4.572 -15.786 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.497 -3.067 -14.166 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.222 -2.191 -14.989 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.900 -4.189 -16.509 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.524 -2.583 -16.185 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.478 -1.599 -17.246 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.908 -3.215 -17.612 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.499 -3.055 -18.706 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.386 -1.428 -19.055 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.654 -1.030 -20.756 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.836 -2.540 -20.892 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.598 -1.657 -21.791 1.00 0.00 H new ATOM 1432 N TRP A 89 0.499 -4.115 -14.327 1.00 0.00 N ATOM 1433 CA TRP A 89 1.669 -3.796 -13.517 1.00 0.00 C ATOM 1434 C TRP A 89 2.697 -3.014 -14.327 1.00 0.00 C ATOM 1435 O TRP A 89 2.810 -3.192 -15.539 1.00 0.00 O ATOM 1436 CB TRP A 89 2.301 -5.078 -12.970 1.00 0.00 C ATOM 1437 CG TRP A 89 3.055 -5.856 -14.005 1.00 0.00 C ATOM 1438 CD1 TRP A 89 2.607 -6.941 -14.703 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.391 -5.610 -14.457 1.00 0.00 C ATOM 1440 NE1 TRP A 89 3.583 -7.385 -15.561 1.00 0.00 N ATOM 1441 CE2 TRP A 89 4.688 -6.585 -15.430 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.365 -4.661 -14.136 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 5.917 -6.635 -16.082 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.585 -4.713 -14.784 1.00 0.00 C ATOM 1445 CH2 TRP A 89 6.852 -5.694 -15.748 1.00 0.00 C ATOM 0 H TRP A 89 0.715 -4.487 -15.252 1.00 0.00 H new ATOM 0 HA TRP A 89 1.343 -3.174 -12.683 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.977 -4.822 -12.154 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.519 -5.710 -12.549 1.00 0.00 H new ATOM 0 HD1 TRP A 89 1.628 -7.385 -14.596 1.00 0.00 H new ATOM 0 HE1 TRP A 89 3.499 -8.181 -16.193 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.168 -3.900 -13.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.125 -7.390 -16.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.345 -3.985 -14.543 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.815 -5.708 -16.237 1.00 0.00 H new ATOM 1456 N GLY A 90 3.444 -2.148 -13.650 1.00 0.00 N ATOM 1457 CA GLY A 90 4.452 -1.352 -14.325 1.00 0.00 C ATOM 1458 C GLY A 90 4.045 0.102 -14.466 1.00 0.00 C ATOM 1459 O GLY A 90 4.890 0.996 -14.427 1.00 0.00 O ATOM 0 H GLY A 90 3.369 -1.983 -12.646 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.389 -1.412 -13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.639 -1.771 -15.314 1.00 0.00 H new ATOM 1463 N SER A 91 2.748 0.338 -14.632 1.00 0.00 N ATOM 1464 CA SER A 91 2.231 1.693 -14.785 1.00 0.00 C ATOM 1465 C SER A 91 2.261 2.439 -13.455 1.00 0.00 C ATOM 1466 O SER A 91 2.606 1.870 -12.420 1.00 0.00 O ATOM 1467 CB SER A 91 0.803 1.658 -15.332 1.00 0.00 C ATOM 1468 OG SER A 91 0.025 0.679 -14.664 1.00 0.00 O ATOM 0 H SER A 91 2.036 -0.391 -14.664 1.00 0.00 H new ATOM 0 HA SER A 91 2.870 2.222 -15.492 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.341 2.638 -15.213 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.825 1.443 -16.400 1.00 0.00 H new ATOM 0 HG SER A 91 -0.884 0.678 -15.030 1.00 0.00 H new ATOM 1474 N GLU A 92 1.896 3.717 -13.492 1.00 0.00 N ATOM 1475 CA GLU A 92 1.882 4.542 -12.290 1.00 0.00 C ATOM 1476 C GLU A 92 0.471 5.037 -11.987 1.00 0.00 C ATOM 1477 O GLU A 92 0.158 5.397 -10.853 1.00 0.00 O ATOM 1478 CB GLU A 92 2.829 5.733 -12.450 1.00 0.00 C ATOM 1479 CG GLU A 92 4.293 5.338 -12.540 1.00 0.00 C ATOM 1480 CD GLU A 92 5.228 6.516 -12.345 1.00 0.00 C ATOM 1481 OE1 GLU A 92 5.344 7.341 -13.275 1.00 0.00 O ATOM 1482 OE2 GLU A 92 5.844 6.612 -11.263 1.00 0.00 O ATOM 0 H GLU A 92 1.606 4.203 -14.341 1.00 0.00 H new ATOM 0 HA GLU A 92 2.221 3.928 -11.455 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.555 6.286 -13.348 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.695 6.409 -11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.508 4.580 -11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.484 4.884 -13.513 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.377 5.053 -13.010 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.755 5.506 -12.855 1.00 0.00 C ATOM 1491 C ASN A 93 -2.450 4.754 -11.724 1.00 0.00 C ATOM 1492 O ASN A 93 -2.867 3.607 -11.891 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.527 5.313 -14.161 1.00 0.00 C ATOM 1494 CG ASN A 93 -2.231 6.402 -15.174 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -1.469 7.329 -14.900 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -2.835 6.294 -16.352 1.00 0.00 N ATOM 0 H ASN A 93 -0.134 4.757 -13.956 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.737 6.567 -12.605 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.274 4.343 -14.590 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.596 5.298 -13.949 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.675 6.997 -17.074 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.459 5.508 -16.535 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.572 5.407 -10.573 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.218 4.802 -9.415 1.00 0.00 C ATOM 1505 C VAL A 94 -4.072 5.820 -8.667 1.00 0.00 C ATOM 1506 O VAL A 94 -3.550 6.714 -8.002 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.183 4.204 -8.443 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -1.472 3.021 -9.082 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.184 5.267 -8.010 1.00 0.00 C ATOM 0 H VAL A 94 -2.232 6.356 -10.418 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.857 4.003 -9.791 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.706 3.847 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.745 2.612 -8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.202 2.253 -9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.959 3.350 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.460 4.828 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.664 5.656 -8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.711 6.080 -7.510 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.388 5.677 -8.781 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.316 6.583 -8.114 1.00 0.00 C ATOM 1521 C ASP A 95 -6.652 6.083 -6.713 1.00 0.00 C ATOM 1522 O ASP A 95 -6.358 4.939 -6.364 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.597 6.731 -8.937 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.403 7.612 -10.156 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -6.815 7.132 -11.147 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.842 8.780 -10.119 1.00 0.00 O ATOM 0 H ASP A 95 -5.836 4.943 -9.329 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.834 7.557 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.937 5.745 -9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.382 7.152 -8.309 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.267 6.947 -5.914 1.00 0.00 N ATOM 1532 CA ASP A 96 -7.643 6.594 -4.550 1.00 0.00 C ATOM 1533 C ASP A 96 -9.160 6.573 -4.392 1.00 0.00 C ATOM 1534 O ASP A 96 -9.679 6.613 -3.277 1.00 0.00 O ATOM 1535 CB ASP A 96 -7.028 7.580 -3.556 1.00 0.00 C ATOM 1536 CG ASP A 96 -7.934 8.763 -3.278 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -8.339 9.442 -4.246 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -8.241 9.009 -2.093 1.00 0.00 O ATOM 0 H ASP A 96 -7.516 7.898 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.260 5.595 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.814 7.063 -2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.076 7.939 -3.947 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.866 6.513 -5.516 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.324 6.489 -5.503 1.00 0.00 C ATOM 1545 C ASN A 97 -11.845 5.055 -5.479 1.00 0.00 C ATOM 1546 O ASN A 97 -12.474 4.629 -4.512 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.878 7.224 -6.725 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.011 8.398 -7.136 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -10.913 9.393 -6.417 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -10.377 8.287 -8.297 1.00 0.00 N ATOM 0 H ASN A 97 -9.452 6.480 -6.448 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.662 6.995 -4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.960 6.527 -7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.885 7.579 -6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.779 9.045 -8.626 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.488 7.444 -8.860 1.00 0.00 H new ATOM 1557 N ASN A 98 -11.577 4.316 -6.550 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.018 2.929 -6.652 1.00 0.00 C ATOM 1559 C ASN A 98 -11.149 2.153 -7.638 1.00 0.00 C ATOM 1560 O ASN A 98 -11.303 2.284 -8.852 1.00 0.00 O ATOM 1561 CB ASN A 98 -13.483 2.869 -7.089 1.00 0.00 C ATOM 1562 CG ASN A 98 -13.664 3.219 -8.554 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -14.251 2.453 -9.318 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -13.159 4.380 -8.952 1.00 0.00 N ATOM 0 H ASN A 98 -11.057 4.654 -7.360 1.00 0.00 H new ATOM 0 HA ASN A 98 -11.920 2.469 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -13.873 1.868 -6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.070 3.556 -6.479 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -13.250 4.669 -9.926 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -12.680 4.984 -8.284 1.00 0.00 H new ATOM 1571 N GLN A 99 -10.238 1.345 -7.106 1.00 0.00 N ATOM 1572 CA GLN A 99 -9.345 0.548 -7.939 1.00 0.00 C ATOM 1573 C GLN A 99 -8.871 -0.696 -7.194 1.00 0.00 C ATOM 1574 O GLN A 99 -7.983 -0.622 -6.344 1.00 0.00 O ATOM 1575 CB GLN A 99 -8.141 1.384 -8.378 1.00 0.00 C ATOM 1576 CG GLN A 99 -8.514 2.586 -9.230 1.00 0.00 C ATOM 1577 CD GLN A 99 -7.372 3.052 -10.112 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -6.204 2.792 -9.824 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -7.705 3.746 -11.195 1.00 0.00 N ATOM 0 H GLN A 99 -10.099 1.225 -6.103 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.900 0.231 -8.822 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -7.606 1.728 -7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.454 0.750 -8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.370 2.332 -9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.824 3.405 -8.581 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.686 3.939 -11.395 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.979 4.086 -11.826 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.469 -1.837 -7.519 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.108 -3.098 -6.880 1.00 0.00 C ATOM 1590 C LEU A 100 -7.680 -3.499 -7.236 1.00 0.00 C ATOM 1591 O LEU A 100 -7.251 -3.358 -8.381 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.080 -4.202 -7.301 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.500 -4.093 -6.744 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.420 -5.090 -7.431 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.501 -4.314 -5.238 1.00 0.00 C ATOM 0 H LEU A 100 -10.205 -1.915 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.169 -2.961 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.138 -4.212 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.664 -5.162 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.872 -3.088 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.426 -4.998 -7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.443 -4.886 -8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.051 -6.102 -7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.520 -4.233 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.109 -5.307 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.875 -3.561 -4.759 1.00 0.00 H new ATOM 1607 N PHE A 101 -6.949 -4.003 -6.247 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.569 -4.427 -6.456 1.00 0.00 C ATOM 1609 C PHE A 101 -5.316 -5.788 -5.815 1.00 0.00 C ATOM 1610 O PHE A 101 -6.096 -6.249 -4.981 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.602 -3.391 -5.878 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.352 -2.228 -6.795 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.654 -2.400 -7.979 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -4.816 -0.963 -6.473 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.422 -1.331 -8.824 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -4.587 0.110 -7.314 1.00 0.00 C ATOM 1617 CZ PHE A 101 -3.890 -0.075 -8.492 1.00 0.00 C ATOM 0 H PHE A 101 -7.289 -4.128 -5.293 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.400 -4.513 -7.529 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.001 -3.020 -4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.653 -3.877 -5.654 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.287 -3.380 -8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.363 -0.813 -5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.875 -1.478 -9.744 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.953 1.091 -7.050 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.711 0.761 -9.152 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.220 -6.427 -6.212 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.864 -7.737 -5.679 1.00 0.00 C ATOM 1629 C ARG A 102 -2.355 -7.957 -5.740 1.00 0.00 C ATOM 1630 O ARG A 102 -1.770 -8.021 -6.821 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.583 -8.841 -6.457 1.00 0.00 C ATOM 1632 CG ARG A 102 -4.293 -8.822 -7.949 1.00 0.00 C ATOM 1633 CD ARG A 102 -5.135 -9.846 -8.693 1.00 0.00 C ATOM 1634 NE ARG A 102 -4.523 -11.173 -8.678 1.00 0.00 N ATOM 1635 CZ ARG A 102 -4.682 -12.044 -7.688 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -5.429 -11.731 -6.638 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -4.093 -13.231 -7.747 1.00 0.00 N ATOM 0 H ARG A 102 -3.564 -6.059 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.178 -7.774 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.291 -9.809 -6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.657 -8.742 -6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.493 -7.827 -8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.236 -9.027 -8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.125 -9.898 -8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.272 -9.522 -9.725 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.942 -11.445 -9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.883 -10.819 -6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.549 -12.402 -5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.518 -13.475 -8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.215 -13.899 -6.986 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.732 -8.071 -4.572 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.291 -8.282 -4.492 1.00 0.00 C ATOM 1653 C PHE A 103 0.117 -9.544 -5.246 1.00 0.00 C ATOM 1654 O PHE A 103 -0.557 -10.574 -5.194 1.00 0.00 O ATOM 1655 CB PHE A 103 0.151 -8.383 -3.031 1.00 0.00 C ATOM 1656 CG PHE A 103 1.614 -8.110 -2.827 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.087 -6.810 -2.756 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.516 -9.154 -2.706 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.432 -6.555 -2.568 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.863 -8.906 -2.517 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.322 -7.605 -2.449 1.00 0.00 C ATOM 0 H PHE A 103 -2.202 -8.021 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 103 0.202 -7.427 -4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.429 -7.678 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.080 -9.381 -2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.396 -5.985 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.163 -10.173 -2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.787 -5.536 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.556 -9.729 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.374 -7.409 -2.303 1.00 0.00 H new ATOM 1671 N PRO A 104 1.246 -9.464 -5.966 1.00 0.00 N ATOM 1672 CA PRO A 104 1.769 -10.590 -6.745 1.00 0.00 C ATOM 1673 C PRO A 104 2.297 -11.713 -5.859 1.00 0.00 C ATOM 1674 O PRO A 104 2.531 -11.517 -4.667 1.00 0.00 O ATOM 1675 CB PRO A 104 2.909 -9.964 -7.552 1.00 0.00 C ATOM 1676 CG PRO A 104 3.339 -8.786 -6.748 1.00 0.00 C ATOM 1677 CD PRO A 104 2.098 -8.269 -6.074 1.00 0.00 C ATOM 0 HA PRO A 104 0.997 -11.053 -7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.729 -10.669 -7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.573 -9.665 -8.545 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.093 -9.069 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.785 -8.021 -7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.320 -7.844 -5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.619 -7.485 -6.661 1.00 0.00 H new ATOM 1685 N ALA A 105 2.484 -12.889 -6.449 1.00 0.00 N ATOM 1686 CA ALA A 105 2.987 -14.042 -5.713 1.00 0.00 C ATOM 1687 C ALA A 105 4.475 -13.893 -5.411 1.00 0.00 C ATOM 1688 O ALA A 105 4.981 -14.463 -4.443 1.00 0.00 O ATOM 1689 CB ALA A 105 2.731 -15.321 -6.496 1.00 0.00 C ATOM 0 H ALA A 105 2.295 -13.068 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 105 2.454 -14.098 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.112 -16.174 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.660 -15.441 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.238 -15.265 -7.459 1.00 0.00 H new TER 1695 ALA A 105