USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 719 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD Set 1.1: A 21 SER OG : rot 34:sc= 0.137 USER MOD Set 1.2: A 23 HIS : no HD1:sc= -6.61! C(o=-6.1!,f=-6.3!) USER MOD Set 1.3: A 55 SER OG : rot -13:sc= 0.4 USER MOD Single : A 1 MET CE :methyl -149:sc= -0.564 (180deg=-1.72!) USER MOD Single : A 1 MET N :NH3+ 170:sc= -2.23! (180deg=-2.89!) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 6 SER OG : rot 136:sc= -5.25! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.145 (180deg=-0.714) USER MOD Single : A 12 ASN :FLIP amide:sc= -5.83! C(o=-10!,f=-5.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -0.689 (180deg=-2.6!) USER MOD Single : A 18 LYS NZ :NH3+ 140:sc= -2.41! (180deg=-4.46!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 33 CYS SG : rot 131:sc= -0.0217 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -0.25 (180deg=-1.06) USER MOD Single : A 44 ASN : amide:sc= -2.03 K(o=-2,f=-3.3) USER MOD Single : A 46 LYS NZ :NH3+ 127:sc= -1.04 (180deg=-2.02) USER MOD Single : A 48 THR OG1 : rot -179:sc= -0.321 USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -0.205 (180deg=-1.01) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -62:sc= 0.529 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00822 USER MOD Single : A 62 CYS SG : rot -37:sc= -0.36 USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= 0.99 (180deg=-0.364) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.168 USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 69 ASN : amide:sc=-0.00525 X(o=-0.0053,f=-0.21) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc=6.37e-05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.693 11.218 9.318 1.00 0.00 N ATOM 2 CA MET A 1 -9.253 11.043 9.645 1.00 0.00 C ATOM 3 C MET A 1 -9.078 10.173 10.882 1.00 0.00 C ATOM 4 O MET A 1 -9.062 10.672 12.006 1.00 0.00 O ATOM 5 CB MET A 1 -8.636 12.424 9.880 1.00 0.00 C ATOM 6 CG MET A 1 -7.149 12.382 10.191 1.00 0.00 C ATOM 7 SD MET A 1 -6.378 14.011 10.120 1.00 0.00 S ATOM 8 CE MET A 1 -6.879 14.551 8.487 1.00 0.00 C ATOM 0 H1 MET A 1 -10.796 11.945 8.581 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.082 10.318 8.973 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.209 11.514 10.171 1.00 0.00 H new ATOM 0 HA MET A 1 -8.752 10.544 8.815 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.796 13.039 8.995 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.157 12.910 10.705 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.001 11.957 11.184 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.652 11.718 9.483 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.113 15.204 8.069 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.009 13.683 7.841 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.821 15.095 8.557 1.00 0.00 H new ATOM 20 N VAL A 2 -8.951 8.867 10.671 1.00 0.00 N ATOM 21 CA VAL A 2 -8.780 7.933 11.786 1.00 0.00 C ATOM 22 C VAL A 2 -7.425 7.228 11.735 1.00 0.00 C ATOM 23 O VAL A 2 -7.225 6.205 12.389 1.00 0.00 O ATOM 24 CB VAL A 2 -9.913 6.878 11.834 1.00 0.00 C ATOM 25 CG1 VAL A 2 -11.241 7.493 11.414 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.585 5.669 10.967 1.00 0.00 C ATOM 0 H VAL A 2 -8.963 8.431 9.749 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.826 8.533 12.695 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.001 6.535 12.865 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.023 6.734 11.455 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.493 8.311 12.089 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.159 7.875 10.396 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.401 4.948 11.024 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.454 5.988 9.933 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.665 5.205 11.323 1.00 0.00 H new ATOM 36 N GLN A 3 -6.498 7.783 10.960 1.00 0.00 N ATOM 37 CA GLN A 3 -5.163 7.218 10.822 1.00 0.00 C ATOM 38 C GLN A 3 -4.388 7.996 9.771 1.00 0.00 C ATOM 39 O GLN A 3 -4.944 8.412 8.755 1.00 0.00 O ATOM 40 CB GLN A 3 -5.234 5.733 10.432 1.00 0.00 C ATOM 41 CG GLN A 3 -3.883 5.103 10.106 1.00 0.00 C ATOM 42 CD GLN A 3 -3.068 4.800 11.349 1.00 0.00 C ATOM 43 OE1 GLN A 3 -2.429 5.686 11.917 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.087 3.544 11.779 1.00 0.00 N ATOM 0 H GLN A 3 -6.651 8.631 10.414 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.652 7.293 11.782 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.693 5.177 11.249 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.889 5.628 9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.041 4.182 9.546 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.318 5.776 9.460 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.630 2.841 11.278 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.558 3.282 12.611 1.00 0.00 H new ATOM 53 N SER A 4 -3.109 8.199 10.026 1.00 0.00 N ATOM 54 CA SER A 4 -2.264 8.942 9.101 1.00 0.00 C ATOM 55 C SER A 4 -1.661 8.041 8.032 1.00 0.00 C ATOM 56 O SER A 4 -1.723 6.815 8.110 1.00 0.00 O ATOM 57 CB SER A 4 -1.145 9.674 9.838 1.00 0.00 C ATOM 58 OG SER A 4 -1.179 9.396 11.227 1.00 0.00 O ATOM 0 H SER A 4 -2.631 7.863 10.862 1.00 0.00 H new ATOM 0 HA SER A 4 -2.909 9.673 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.180 9.376 9.428 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.241 10.748 9.677 1.00 0.00 H new ATOM 0 HG SER A 4 -0.451 9.876 11.675 1.00 0.00 H new ATOM 64 N CYS A 5 -1.073 8.687 7.039 1.00 0.00 N ATOM 65 CA CYS A 5 -0.435 8.008 5.923 1.00 0.00 C ATOM 66 C CYS A 5 0.973 8.586 5.732 1.00 0.00 C ATOM 67 O CYS A 5 1.339 9.546 6.411 1.00 0.00 O ATOM 68 CB CYS A 5 -1.339 8.134 4.678 1.00 0.00 C ATOM 69 SG CYS A 5 -0.542 8.738 3.177 1.00 0.00 S ATOM 0 H CYS A 5 -1.024 9.704 6.984 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.312 6.941 6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.771 7.156 4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.166 8.802 4.920 1.00 0.00 H new ATOM 74 N SER A 6 1.775 7.997 4.849 1.00 0.00 N ATOM 75 CA SER A 6 3.142 8.476 4.649 1.00 0.00 C ATOM 76 C SER A 6 3.168 9.791 3.892 1.00 0.00 C ATOM 77 O SER A 6 3.893 10.717 4.257 1.00 0.00 O ATOM 78 CB SER A 6 3.972 7.433 3.907 1.00 0.00 C ATOM 79 OG SER A 6 5.342 7.793 3.903 1.00 0.00 O ATOM 0 H SER A 6 1.510 7.201 4.269 1.00 0.00 H new ATOM 0 HA SER A 6 3.576 8.644 5.635 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.848 6.459 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.613 7.337 2.882 1.00 0.00 H new ATOM 0 HG SER A 6 5.888 7.005 4.107 1.00 0.00 H new ATOM 85 N ALA A 7 2.376 9.862 2.835 1.00 0.00 N ATOM 86 CA ALA A 7 2.300 11.066 2.007 1.00 0.00 C ATOM 87 C ALA A 7 2.252 12.328 2.868 1.00 0.00 C ATOM 88 O ALA A 7 1.302 12.547 3.619 1.00 0.00 O ATOM 89 CB ALA A 7 1.091 10.999 1.087 1.00 0.00 C ATOM 0 H ALA A 7 1.773 9.100 2.525 1.00 0.00 H new ATOM 0 HA ALA A 7 3.202 11.114 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.047 11.901 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.175 10.127 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.183 10.921 1.685 1.00 0.00 H new ATOM 95 N TYR A 8 3.296 13.146 2.762 1.00 0.00 N ATOM 96 CA TYR A 8 3.394 14.380 3.536 1.00 0.00 C ATOM 97 C TYR A 8 2.144 15.243 3.381 1.00 0.00 C ATOM 98 O TYR A 8 1.717 15.543 2.266 1.00 0.00 O ATOM 99 CB TYR A 8 4.630 15.179 3.107 1.00 0.00 C ATOM 100 CG TYR A 8 4.869 16.413 3.946 1.00 0.00 C ATOM 101 CD1 TYR A 8 5.357 16.311 5.244 1.00 0.00 C ATOM 102 CD2 TYR A 8 4.599 17.679 3.444 1.00 0.00 C ATOM 103 CE1 TYR A 8 5.567 17.438 6.017 1.00 0.00 C ATOM 104 CE2 TYR A 8 4.809 18.810 4.210 1.00 0.00 C ATOM 105 CZ TYR A 8 5.292 18.683 5.495 1.00 0.00 C ATOM 106 OH TYR A 8 5.499 19.807 6.262 1.00 0.00 O ATOM 0 H TYR A 8 4.090 12.975 2.144 1.00 0.00 H new ATOM 0 HA TYR A 8 3.486 14.102 4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.507 14.535 3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.518 15.474 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.575 15.336 5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.219 17.782 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.945 17.343 7.024 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.596 19.788 3.804 1.00 0.00 H new ATOM 0 HH TYR A 8 5.257 20.604 5.746 1.00 0.00 H new ATOM 116 N GLY A 9 1.570 15.647 4.512 1.00 0.00 N ATOM 117 CA GLY A 9 0.383 16.483 4.492 1.00 0.00 C ATOM 118 C GLY A 9 -0.744 15.890 3.677 1.00 0.00 C ATOM 119 O GLY A 9 -1.357 16.575 2.857 1.00 0.00 O ATOM 0 H GLY A 9 1.908 15.409 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.040 16.642 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.641 17.461 4.087 1.00 0.00 H new ATOM 123 N CYS A 10 -1.016 14.619 3.904 1.00 0.00 N ATOM 124 CA CYS A 10 -2.074 13.924 3.193 1.00 0.00 C ATOM 125 C CYS A 10 -3.438 14.229 3.815 1.00 0.00 C ATOM 126 O CYS A 10 -3.522 14.645 4.971 1.00 0.00 O ATOM 127 CB CYS A 10 -1.809 12.418 3.198 1.00 0.00 C ATOM 128 SG CYS A 10 -2.954 11.484 2.161 1.00 0.00 S ATOM 0 H CYS A 10 -0.515 14.043 4.580 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.086 14.276 2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.790 12.235 2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.874 12.049 4.221 1.00 0.00 H new ATOM 133 N LYS A 11 -4.503 14.025 3.042 1.00 0.00 N ATOM 134 CA LYS A 11 -5.855 14.283 3.512 1.00 0.00 C ATOM 135 C LYS A 11 -6.628 12.983 3.719 1.00 0.00 C ATOM 136 O LYS A 11 -7.859 12.973 3.722 1.00 0.00 O ATOM 137 CB LYS A 11 -6.599 15.182 2.522 1.00 0.00 C ATOM 138 CG LYS A 11 -7.338 16.331 3.182 1.00 0.00 C ATOM 139 CD LYS A 11 -6.428 17.531 3.363 1.00 0.00 C ATOM 140 CE LYS A 11 -7.017 18.534 4.342 1.00 0.00 C ATOM 141 NZ LYS A 11 -7.245 17.931 5.684 1.00 0.00 N ATOM 0 H LYS A 11 -4.451 13.680 2.084 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.782 14.792 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.886 15.585 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.311 14.578 1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.199 16.611 2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.722 16.012 4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.454 17.199 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.265 18.014 2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.345 19.387 4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.960 18.914 3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.233 18.678 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.168 17.452 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.494 17.241 5.887 1.00 0.00 H new ATOM 155 N ASN A 12 -5.895 11.892 3.889 1.00 0.00 N ATOM 156 CA ASN A 12 -6.486 10.582 4.094 1.00 0.00 C ATOM 157 C ASN A 12 -7.460 10.567 5.265 1.00 0.00 C ATOM 158 O ASN A 12 -7.403 11.417 6.154 1.00 0.00 O ATOM 159 CB ASN A 12 -5.387 9.570 4.353 1.00 0.00 C ATOM 160 CG ASN A 12 -4.778 9.730 5.728 1.00 0.00 C ATOM 161 OD1 ASN A 12 -3.899 8.820 6.077 1.00 0.00 O flip ATOM 162 ND2 ASN A 12 -5.090 10.668 6.461 1.00 0.00 N flip ATOM 0 H ASN A 12 -4.875 11.892 3.888 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.042 10.328 3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.791 8.563 4.251 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.609 9.679 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.778 11.353 6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.660 10.761 7.381 1.00 0.00 H new ATOM 169 N ARG A 13 -8.335 9.573 5.263 1.00 0.00 N ATOM 170 CA ARG A 13 -9.317 9.414 6.345 1.00 0.00 C ATOM 171 C ARG A 13 -10.224 8.206 6.129 1.00 0.00 C ATOM 172 O ARG A 13 -11.027 8.179 5.199 1.00 0.00 O ATOM 173 CB ARG A 13 -10.171 10.676 6.505 1.00 0.00 C ATOM 174 CG ARG A 13 -10.385 11.481 5.223 1.00 0.00 C ATOM 175 CD ARG A 13 -11.122 10.689 4.148 1.00 0.00 C ATOM 176 NE ARG A 13 -11.331 11.481 2.938 1.00 0.00 N ATOM 177 CZ ARG A 13 -12.292 12.394 2.807 1.00 0.00 C ATOM 178 NH1 ARG A 13 -13.132 12.631 3.806 1.00 0.00 N ATOM 179 NH2 ARG A 13 -12.411 13.072 1.674 1.00 0.00 N ATOM 0 H ARG A 13 -8.392 8.864 4.532 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.746 9.248 7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.145 10.389 6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.702 11.322 7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.950 12.384 5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.418 11.801 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.552 9.793 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.085 10.358 4.537 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.705 11.326 2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.044 12.113 4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.866 13.331 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.767 12.894 0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.147 13.771 1.573 1.00 0.00 H new ATOM 193 N TYR A 14 -10.105 7.210 7.008 1.00 0.00 N ATOM 194 CA TYR A 14 -10.931 6.017 6.909 1.00 0.00 C ATOM 195 C TYR A 14 -12.326 6.284 7.469 1.00 0.00 C ATOM 196 O TYR A 14 -12.625 5.930 8.609 1.00 0.00 O ATOM 197 CB TYR A 14 -10.272 4.872 7.670 1.00 0.00 C ATOM 198 CG TYR A 14 -10.961 3.538 7.480 1.00 0.00 C ATOM 199 CD1 TYR A 14 -11.246 3.054 6.209 1.00 0.00 C ATOM 200 CD2 TYR A 14 -11.325 2.760 8.573 1.00 0.00 C ATOM 201 CE1 TYR A 14 -11.875 1.837 6.033 1.00 0.00 C ATOM 202 CE2 TYR A 14 -11.954 1.542 8.405 1.00 0.00 C ATOM 203 CZ TYR A 14 -12.226 1.084 7.133 1.00 0.00 C ATOM 204 OH TYR A 14 -12.852 -0.129 6.961 1.00 0.00 O ATOM 0 H TYR A 14 -9.449 7.210 7.789 1.00 0.00 H new ATOM 0 HA TYR A 14 -11.028 5.742 5.859 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.234 4.784 7.348 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.257 5.115 8.732 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.971 3.639 5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.112 3.114 9.571 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.091 1.477 5.038 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.231 0.951 9.265 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.030 -0.532 7.836 1.00 0.00 H new ATOM 214 N ASP A 15 -13.177 6.912 6.661 1.00 0.00 N ATOM 215 CA ASP A 15 -14.537 7.228 7.081 1.00 0.00 C ATOM 216 C ASP A 15 -15.507 6.132 6.656 1.00 0.00 C ATOM 217 O ASP A 15 -15.237 5.378 5.721 1.00 0.00 O ATOM 218 CB ASP A 15 -14.973 8.567 6.492 1.00 0.00 C ATOM 219 CG ASP A 15 -16.215 9.120 7.164 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.517 8.692 8.297 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.884 9.982 6.556 1.00 0.00 O ATOM 0 H ASP A 15 -12.948 7.211 5.713 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.549 7.295 8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.160 9.286 6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.164 8.446 5.426 1.00 0.00 H new ATOM 226 N LYS A 16 -16.641 6.050 7.346 1.00 0.00 N ATOM 227 CA LYS A 16 -17.654 5.043 7.032 1.00 0.00 C ATOM 228 C LYS A 16 -18.080 5.143 5.572 1.00 0.00 C ATOM 229 O LYS A 16 -18.502 4.159 4.965 1.00 0.00 O ATOM 230 CB LYS A 16 -18.876 5.192 7.948 1.00 0.00 C ATOM 231 CG LYS A 16 -19.677 6.467 7.713 1.00 0.00 C ATOM 232 CD LYS A 16 -21.171 6.226 7.883 1.00 0.00 C ATOM 233 CE LYS A 16 -21.913 6.335 6.559 1.00 0.00 C ATOM 234 NZ LYS A 16 -21.160 5.699 5.442 1.00 0.00 N ATOM 0 H LYS A 16 -16.882 6.665 8.123 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.212 4.061 7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.531 4.333 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.544 5.170 8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.350 7.238 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.480 6.842 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.334 5.237 8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.578 6.950 8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.891 5.863 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.087 7.386 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.822 5.428 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.462 6.372 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.669 4.852 5.792 1.00 0.00 H new ATOM 248 N ASP A 17 -17.961 6.341 5.020 1.00 0.00 N ATOM 249 CA ASP A 17 -18.322 6.592 3.636 1.00 0.00 C ATOM 250 C ASP A 17 -17.129 6.356 2.719 1.00 0.00 C ATOM 251 O ASP A 17 -17.214 5.608 1.748 1.00 0.00 O ATOM 252 CB ASP A 17 -18.810 8.030 3.489 1.00 0.00 C ATOM 253 CG ASP A 17 -20.288 8.108 3.158 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.708 7.471 2.170 1.00 0.00 O ATOM 255 OD2 ASP A 17 -21.023 8.806 3.887 1.00 0.00 O ATOM 0 H ASP A 17 -17.613 7.161 5.517 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.118 5.904 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.619 8.572 4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.238 8.527 2.705 1.00 0.00 H new ATOM 260 N LYS A 18 -16.019 7.010 3.043 1.00 0.00 N ATOM 261 CA LYS A 18 -14.794 6.893 2.260 1.00 0.00 C ATOM 262 C LYS A 18 -14.142 5.520 2.446 1.00 0.00 C ATOM 263 O LYS A 18 -13.594 5.231 3.509 1.00 0.00 O ATOM 264 CB LYS A 18 -13.811 7.988 2.677 1.00 0.00 C ATOM 265 CG LYS A 18 -12.559 8.045 1.812 1.00 0.00 C ATOM 266 CD LYS A 18 -12.599 9.206 0.821 1.00 0.00 C ATOM 267 CE LYS A 18 -13.837 9.182 -0.075 1.00 0.00 C ATOM 268 NZ LYS A 18 -15.044 9.708 0.623 1.00 0.00 N ATOM 0 H LYS A 18 -15.942 7.631 3.849 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.053 7.007 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.316 8.953 2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.519 7.826 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.681 8.144 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.452 7.107 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.573 10.147 1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.705 9.176 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.648 9.776 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.026 8.160 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.599 10.291 -0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.626 8.913 0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.750 10.287 1.435 1.00 0.00 H new ATOM 282 N PRO A 19 -14.192 4.650 1.417 1.00 0.00 N ATOM 283 CA PRO A 19 -13.605 3.305 1.482 1.00 0.00 C ATOM 284 C PRO A 19 -12.093 3.293 1.299 1.00 0.00 C ATOM 285 O PRO A 19 -11.533 2.389 0.677 1.00 0.00 O ATOM 286 CB PRO A 19 -14.245 2.605 0.305 1.00 0.00 C ATOM 287 CG PRO A 19 -14.439 3.703 -0.691 1.00 0.00 C ATOM 288 CD PRO A 19 -14.833 4.889 0.111 1.00 0.00 C ATOM 0 HA PRO A 19 -13.780 2.846 2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.605 1.815 -0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.192 2.141 0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.524 3.893 -1.252 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.210 3.445 -1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.483 5.816 -0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.916 4.969 0.204 1.00 0.00 H new ATOM 296 N VAL A 20 -11.450 4.301 1.832 1.00 0.00 N ATOM 297 CA VAL A 20 -10.003 4.440 1.735 1.00 0.00 C ATOM 298 C VAL A 20 -9.276 3.398 2.583 1.00 0.00 C ATOM 299 O VAL A 20 -9.413 3.372 3.804 1.00 0.00 O ATOM 300 CB VAL A 20 -9.551 5.851 2.165 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.812 6.081 3.647 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.082 6.066 1.835 1.00 0.00 C ATOM 0 H VAL A 20 -11.907 5.053 2.347 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.742 4.281 0.689 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.138 6.579 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.484 7.083 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.878 5.980 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.261 5.345 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.782 7.067 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.479 5.326 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.931 5.959 0.761 1.00 0.00 H new ATOM 312 N SER A 21 -8.490 2.550 1.926 1.00 0.00 N ATOM 313 CA SER A 21 -7.730 1.523 2.625 1.00 0.00 C ATOM 314 C SER A 21 -6.297 1.982 2.848 1.00 0.00 C ATOM 315 O SER A 21 -5.819 2.906 2.189 1.00 0.00 O ATOM 316 CB SER A 21 -7.736 0.209 1.845 1.00 0.00 C ATOM 317 OG SER A 21 -7.868 0.440 0.453 1.00 0.00 O ATOM 0 H SER A 21 -8.364 2.555 0.914 1.00 0.00 H new ATOM 0 HA SER A 21 -8.206 1.355 3.591 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.813 -0.337 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.557 -0.419 2.192 1.00 0.00 H new ATOM 0 HG SER A 21 -7.405 1.270 0.214 1.00 0.00 H new ATOM 323 N PHE A 22 -5.619 1.336 3.785 1.00 0.00 N ATOM 324 CA PHE A 22 -4.240 1.680 4.106 1.00 0.00 C ATOM 325 C PHE A 22 -3.336 0.460 3.946 1.00 0.00 C ATOM 326 O PHE A 22 -3.780 -0.676 4.109 1.00 0.00 O ATOM 327 CB PHE A 22 -4.158 2.242 5.526 1.00 0.00 C ATOM 328 CG PHE A 22 -4.640 3.667 5.627 1.00 0.00 C ATOM 329 CD1 PHE A 22 -5.892 4.029 5.150 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.837 4.647 6.185 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.333 5.337 5.226 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.270 5.959 6.261 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.522 6.308 5.778 1.00 0.00 C ATOM 0 H PHE A 22 -6.002 0.569 4.338 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.895 2.447 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.751 1.616 6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.126 2.188 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.532 3.277 4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.861 4.384 6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.312 5.599 4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.631 6.713 6.697 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.860 7.332 5.833 1.00 0.00 H new ATOM 343 N HIS A 23 -2.076 0.699 3.594 1.00 0.00 N ATOM 344 CA HIS A 23 -1.129 -0.394 3.376 1.00 0.00 C ATOM 345 C HIS A 23 0.266 -0.057 3.898 1.00 0.00 C ATOM 346 O HIS A 23 0.847 0.956 3.529 1.00 0.00 O ATOM 347 CB HIS A 23 -1.058 -0.716 1.883 1.00 0.00 C ATOM 348 CG HIS A 23 -2.391 -0.641 1.210 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.054 -1.743 0.710 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.201 0.418 0.983 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.215 -1.361 0.205 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.325 -0.055 0.358 1.00 0.00 N ATOM 0 H HIS A 23 -1.688 1.632 3.454 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.487 -1.261 3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.372 -0.021 1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.645 -1.716 1.751 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.999 1.446 1.246 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.948 -2.008 -0.254 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.119 0.511 0.059 1.00 0.00 H new ATOM 361 N LYS A 24 0.806 -0.928 4.745 1.00 0.00 N ATOM 362 CA LYS A 24 2.144 -0.729 5.304 1.00 0.00 C ATOM 363 C LYS A 24 3.210 -0.960 4.236 1.00 0.00 C ATOM 364 O LYS A 24 2.937 -1.575 3.206 1.00 0.00 O ATOM 365 CB LYS A 24 2.372 -1.680 6.481 1.00 0.00 C ATOM 366 CG LYS A 24 2.144 -1.035 7.838 1.00 0.00 C ATOM 367 CD LYS A 24 0.691 -0.628 8.024 1.00 0.00 C ATOM 368 CE LYS A 24 0.535 0.386 9.145 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.686 0.130 9.957 1.00 0.00 N ATOM 0 H LYS A 24 0.340 -1.779 5.061 1.00 0.00 H new ATOM 0 HA LYS A 24 2.220 0.299 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.706 -2.537 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.392 -2.062 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.432 -1.731 8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.784 -0.158 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.309 -0.206 7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.090 -1.510 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.413 0.353 9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.487 1.390 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.757 0.843 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.527 0.186 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.629 -0.818 10.381 1.00 0.00 H new ATOM 383 N PHE A 25 4.426 -0.469 4.478 1.00 0.00 N ATOM 384 CA PHE A 25 5.505 -0.646 3.514 1.00 0.00 C ATOM 385 C PHE A 25 5.806 -2.127 3.318 1.00 0.00 C ATOM 386 O PHE A 25 5.878 -2.890 4.283 1.00 0.00 O ATOM 387 CB PHE A 25 6.759 0.131 3.927 1.00 0.00 C ATOM 388 CG PHE A 25 7.039 1.287 3.002 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.441 2.522 3.214 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.874 1.132 1.907 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.679 3.580 2.353 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.110 2.185 1.040 1.00 0.00 C ATOM 393 CZ PHE A 25 7.512 3.411 1.264 1.00 0.00 C ATOM 0 H PHE A 25 4.683 0.046 5.320 1.00 0.00 H new ATOM 0 HA PHE A 25 5.176 -0.237 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.636 0.503 4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.616 -0.542 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.783 2.659 4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.347 0.178 1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.213 4.538 2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.761 2.049 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.695 4.234 0.590 1.00 0.00 H new ATOM 403 N PRO A 26 5.937 -2.561 2.054 1.00 0.00 N ATOM 404 CA PRO A 26 6.175 -3.958 1.709 1.00 0.00 C ATOM 405 C PRO A 26 7.651 -4.315 1.576 1.00 0.00 C ATOM 406 O PRO A 26 8.491 -3.457 1.303 1.00 0.00 O ATOM 407 CB PRO A 26 5.478 -4.036 0.360 1.00 0.00 C ATOM 408 CG PRO A 26 5.825 -2.741 -0.282 1.00 0.00 C ATOM 409 CD PRO A 26 5.818 -1.728 0.835 1.00 0.00 C ATOM 0 HA PRO A 26 5.817 -4.651 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.832 -4.883 -0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.400 -4.154 0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.802 -2.790 -0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.102 -2.479 -1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.647 -1.026 0.746 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.900 -1.140 0.838 1.00 0.00 H new ATOM 417 N LEU A 27 7.953 -5.597 1.766 1.00 0.00 N ATOM 418 CA LEU A 27 9.314 -6.094 1.665 1.00 0.00 C ATOM 419 C LEU A 27 9.478 -6.992 0.440 1.00 0.00 C ATOM 420 O LEU A 27 10.568 -7.094 -0.124 1.00 0.00 O ATOM 421 CB LEU A 27 9.698 -6.862 2.933 1.00 0.00 C ATOM 422 CG LEU A 27 8.971 -8.197 3.130 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.971 -9.325 3.341 1.00 0.00 C ATOM 424 CD2 LEU A 27 8.006 -8.113 4.305 1.00 0.00 C ATOM 0 H LEU A 27 7.263 -6.313 1.993 1.00 0.00 H new ATOM 0 HA LEU A 27 9.978 -5.237 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.771 -7.050 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.501 -6.228 3.797 1.00 0.00 H new ATOM 0 HG LEU A 27 8.397 -8.410 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.436 -10.265 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.621 -9.402 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.573 -9.117 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.499 -9.070 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.559 -7.875 5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.268 -7.334 4.115 1.00 0.00 H new ATOM 436 N THR A 28 8.388 -7.637 0.034 1.00 0.00 N ATOM 437 CA THR A 28 8.409 -8.523 -1.126 1.00 0.00 C ATOM 438 C THR A 28 8.665 -7.726 -2.399 1.00 0.00 C ATOM 439 O THR A 28 9.236 -8.239 -3.361 1.00 0.00 O ATOM 440 CB THR A 28 7.086 -9.283 -1.238 1.00 0.00 C ATOM 441 OG1 THR A 28 6.008 -8.482 -0.788 1.00 0.00 O ATOM 442 CG2 THR A 28 7.064 -10.569 -0.441 1.00 0.00 C ATOM 0 H THR A 28 7.479 -7.563 0.491 1.00 0.00 H new ATOM 0 HA THR A 28 9.217 -9.243 -0.996 1.00 0.00 H new ATOM 0 HB THR A 28 6.983 -9.528 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.171 -8.985 -0.869 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.097 -11.057 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.853 -11.231 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.225 -10.346 0.614 1.00 0.00 H new ATOM 450 N ARG A 29 8.236 -6.468 -2.388 1.00 0.00 N ATOM 451 CA ARG A 29 8.408 -5.573 -3.516 1.00 0.00 C ATOM 452 C ARG A 29 9.513 -4.563 -3.203 1.00 0.00 C ATOM 453 O ARG A 29 9.261 -3.573 -2.527 1.00 0.00 O ATOM 454 CB ARG A 29 7.077 -4.866 -3.772 1.00 0.00 C ATOM 455 CG ARG A 29 7.120 -3.878 -4.917 1.00 0.00 C ATOM 456 CD ARG A 29 6.950 -2.461 -4.410 1.00 0.00 C ATOM 457 NE ARG A 29 5.570 -1.992 -4.562 1.00 0.00 N ATOM 458 CZ ARG A 29 5.207 -0.820 -5.106 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.111 0.086 -5.493 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.924 -0.548 -5.249 1.00 0.00 N ATOM 0 H ARG A 29 7.759 -6.044 -1.592 1.00 0.00 H new ATOM 0 HA ARG A 29 8.700 -6.127 -4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.313 -5.615 -3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.774 -4.343 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.069 -3.969 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.332 -4.110 -5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.237 -2.414 -3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.622 -1.797 -4.954 1.00 0.00 H new ATOM 0 HE ARG A 29 4.826 -2.605 -4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.106 -0.105 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.805 0.968 -5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.223 -1.224 -4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.633 0.339 -5.661 1.00 0.00 H new ATOM 474 N PRO A 30 10.766 -4.834 -3.648 1.00 0.00 N ATOM 475 CA PRO A 30 11.924 -3.975 -3.380 1.00 0.00 C ATOM 476 C PRO A 30 12.245 -2.940 -4.468 1.00 0.00 C ATOM 477 O PRO A 30 12.057 -1.746 -4.259 1.00 0.00 O ATOM 478 CB PRO A 30 13.038 -4.991 -3.256 1.00 0.00 C ATOM 479 CG PRO A 30 12.662 -6.110 -4.181 1.00 0.00 C ATOM 480 CD PRO A 30 11.166 -6.028 -4.412 1.00 0.00 C ATOM 0 HA PRO A 30 11.756 -3.345 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.998 -4.557 -3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.134 -5.345 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.201 -6.025 -5.125 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.931 -7.073 -3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.928 -5.925 -5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.655 -6.922 -4.056 1.00 0.00 H new ATOM 488 N SER A 31 12.741 -3.382 -5.626 1.00 0.00 N ATOM 489 CA SER A 31 13.078 -2.447 -6.703 1.00 0.00 C ATOM 490 C SER A 31 11.904 -1.528 -6.964 1.00 0.00 C ATOM 491 O SER A 31 12.021 -0.304 -6.919 1.00 0.00 O ATOM 492 CB SER A 31 13.455 -3.201 -7.980 1.00 0.00 C ATOM 493 OG SER A 31 12.848 -4.481 -8.015 1.00 0.00 O ATOM 0 H SER A 31 12.916 -4.364 -5.841 1.00 0.00 H new ATOM 0 HA SER A 31 13.939 -1.853 -6.395 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.145 -2.624 -8.851 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.538 -3.307 -8.037 1.00 0.00 H new ATOM 0 HG SER A 31 13.103 -4.942 -8.842 1.00 0.00 H new ATOM 499 N LEU A 32 10.764 -2.145 -7.180 1.00 0.00 N ATOM 500 CA LEU A 32 9.529 -1.426 -7.395 1.00 0.00 C ATOM 501 C LEU A 32 9.263 -0.541 -6.181 1.00 0.00 C ATOM 502 O LEU A 32 8.734 0.561 -6.291 1.00 0.00 O ATOM 503 CB LEU A 32 8.402 -2.429 -7.569 1.00 0.00 C ATOM 504 CG LEU A 32 6.993 -1.844 -7.707 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.017 -0.474 -8.367 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.112 -2.784 -8.502 1.00 0.00 C ATOM 0 H LEU A 32 10.667 -3.160 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 32 9.596 -0.804 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.612 -3.030 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.410 -3.106 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 32 6.585 -1.726 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.000 -0.091 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.615 0.210 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.453 -0.557 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.113 -2.357 -8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.537 -2.928 -9.495 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.051 -3.745 -7.991 1.00 0.00 H new ATOM 518 N CYS A 33 9.648 -1.057 -5.010 1.00 0.00 N ATOM 519 CA CYS A 33 9.468 -0.346 -3.745 1.00 0.00 C ATOM 520 C CYS A 33 10.033 1.061 -3.814 1.00 0.00 C ATOM 521 O CYS A 33 9.526 1.975 -3.168 1.00 0.00 O ATOM 522 CB CYS A 33 10.156 -1.102 -2.618 1.00 0.00 C ATOM 523 SG CYS A 33 9.421 -0.831 -0.988 1.00 0.00 S ATOM 0 H CYS A 33 10.089 -1.972 -4.914 1.00 0.00 H new ATOM 0 HA CYS A 33 8.397 -0.283 -3.553 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.131 -2.168 -2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.205 -0.807 -2.585 1.00 0.00 H new ATOM 0 HG CYS A 33 9.222 -1.976 -0.406 1.00 0.00 H new ATOM 529 N LYS A 34 11.078 1.238 -4.612 1.00 0.00 N ATOM 530 CA LYS A 34 11.687 2.542 -4.772 1.00 0.00 C ATOM 531 C LYS A 34 10.586 3.531 -5.116 1.00 0.00 C ATOM 532 O LYS A 34 10.561 4.664 -4.638 1.00 0.00 O ATOM 533 CB LYS A 34 12.753 2.491 -5.884 1.00 0.00 C ATOM 534 CG LYS A 34 13.107 3.853 -6.472 1.00 0.00 C ATOM 535 CD LYS A 34 12.491 4.058 -7.852 1.00 0.00 C ATOM 536 CE LYS A 34 12.800 2.905 -8.800 1.00 0.00 C ATOM 537 NZ LYS A 34 13.465 3.374 -10.048 1.00 0.00 N ATOM 0 H LYS A 34 11.517 0.494 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 34 12.185 2.852 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.658 2.034 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.396 1.843 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.761 4.639 -5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.191 3.947 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.411 4.165 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.865 4.988 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.442 2.183 -8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.876 2.386 -9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.658 2.560 -10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.842 4.044 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.360 3.846 -9.808 1.00 0.00 H new ATOM 551 N GLU A 35 9.650 3.052 -5.922 1.00 0.00 N ATOM 552 CA GLU A 35 8.513 3.831 -6.332 1.00 0.00 C ATOM 553 C GLU A 35 7.770 4.335 -5.116 1.00 0.00 C ATOM 554 O GLU A 35 7.359 5.495 -5.044 1.00 0.00 O ATOM 555 CB GLU A 35 7.579 2.976 -7.187 1.00 0.00 C ATOM 556 CG GLU A 35 8.247 2.450 -8.428 1.00 0.00 C ATOM 557 CD GLU A 35 7.265 2.149 -9.542 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.166 2.743 -9.540 1.00 0.00 O ATOM 559 OE2 GLU A 35 7.595 1.323 -10.419 1.00 0.00 O ATOM 0 H GLU A 35 9.667 2.107 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 35 8.859 4.682 -6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.214 2.138 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.709 3.568 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.976 3.180 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.799 1.543 -8.181 1.00 0.00 H new ATOM 566 N TRP A 36 7.634 3.445 -4.149 1.00 0.00 N ATOM 567 CA TRP A 36 6.956 3.776 -2.906 1.00 0.00 C ATOM 568 C TRP A 36 7.656 4.932 -2.226 1.00 0.00 C ATOM 569 O TRP A 36 7.010 5.792 -1.627 1.00 0.00 O ATOM 570 CB TRP A 36 6.854 2.573 -1.994 1.00 0.00 C ATOM 571 CG TRP A 36 5.562 1.835 -2.127 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.921 1.471 -3.272 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.748 1.389 -1.052 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.759 0.798 -2.966 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.636 0.736 -1.598 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.859 1.474 0.325 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.647 0.172 -0.785 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.875 0.920 1.100 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.796 0.280 0.551 1.00 0.00 C ATOM 0 H TRP A 36 7.983 2.488 -4.199 1.00 0.00 H new ATOM 0 HA TRP A 36 5.936 4.082 -3.140 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.677 1.892 -2.210 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.973 2.899 -0.961 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.272 1.679 -4.272 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.100 0.410 -3.641 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.705 1.968 0.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.793 -0.333 -1.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.952 0.990 2.175 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.048 -0.148 1.202 1.00 0.00 H new ATOM 590 N GLU A 37 8.977 4.990 -2.365 1.00 0.00 N ATOM 591 CA GLU A 37 9.729 6.092 -1.790 1.00 0.00 C ATOM 592 C GLU A 37 9.176 7.402 -2.318 1.00 0.00 C ATOM 593 O GLU A 37 9.058 8.388 -1.591 1.00 0.00 O ATOM 594 CB GLU A 37 11.201 5.965 -2.153 1.00 0.00 C ATOM 595 CG GLU A 37 11.817 4.651 -1.712 1.00 0.00 C ATOM 596 CD GLU A 37 13.161 4.834 -1.032 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.177 5.120 0.183 1.00 0.00 O ATOM 598 OE2 GLU A 37 14.196 4.689 -1.716 1.00 0.00 O ATOM 0 H GLU A 37 9.538 4.298 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 37 9.635 6.068 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.312 6.066 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.753 6.788 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.134 4.146 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.938 4.002 -2.579 1.00 0.00 H new ATOM 605 N ALA A 38 8.807 7.379 -3.590 1.00 0.00 N ATOM 606 CA ALA A 38 8.230 8.547 -4.233 1.00 0.00 C ATOM 607 C ALA A 38 6.935 8.918 -3.538 1.00 0.00 C ATOM 608 O ALA A 38 6.614 10.092 -3.365 1.00 0.00 O ATOM 609 CB ALA A 38 7.994 8.280 -5.713 1.00 0.00 C ATOM 0 H ALA A 38 8.897 6.564 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 38 8.926 9.382 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.561 9.166 -6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.942 8.043 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.309 7.440 -5.826 1.00 0.00 H new ATOM 615 N ALA A 39 6.214 7.892 -3.110 1.00 0.00 N ATOM 616 CA ALA A 39 4.960 8.071 -2.396 1.00 0.00 C ATOM 617 C ALA A 39 5.158 8.992 -1.204 1.00 0.00 C ATOM 618 O ALA A 39 4.224 9.653 -0.749 1.00 0.00 O ATOM 619 CB ALA A 39 4.429 6.723 -1.932 1.00 0.00 C ATOM 0 H ALA A 39 6.481 6.917 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 39 4.234 8.525 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.490 6.866 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.261 6.081 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.156 6.255 -1.268 1.00 0.00 H new ATOM 625 N VAL A 40 6.385 9.017 -0.694 1.00 0.00 N ATOM 626 CA VAL A 40 6.715 9.838 0.452 1.00 0.00 C ATOM 627 C VAL A 40 7.367 11.150 0.026 1.00 0.00 C ATOM 628 O VAL A 40 6.792 12.224 0.196 1.00 0.00 O ATOM 629 CB VAL A 40 7.666 9.075 1.397 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.050 9.916 2.602 1.00 0.00 C ATOM 631 CG2 VAL A 40 7.037 7.764 1.834 1.00 0.00 C ATOM 0 H VAL A 40 7.166 8.474 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 40 5.786 10.068 0.974 1.00 0.00 H new ATOM 0 HB VAL A 40 8.581 8.858 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.720 9.346 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.553 10.823 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.153 10.183 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.720 7.237 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.102 7.966 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.836 7.147 0.958 1.00 0.00 H new ATOM 641 N ARG A 41 8.571 11.050 -0.526 1.00 0.00 N ATOM 642 CA ARG A 41 9.309 12.224 -0.981 1.00 0.00 C ATOM 643 C ARG A 41 9.668 13.142 0.192 1.00 0.00 C ATOM 644 O ARG A 41 9.913 14.333 0.003 1.00 0.00 O ATOM 645 CB ARG A 41 8.480 12.996 -2.023 1.00 0.00 C ATOM 646 CG ARG A 41 9.151 14.261 -2.549 1.00 0.00 C ATOM 647 CD ARG A 41 8.404 15.515 -2.118 1.00 0.00 C ATOM 648 NE ARG A 41 7.915 16.281 -3.262 1.00 0.00 N ATOM 649 CZ ARG A 41 6.868 15.920 -4.001 1.00 0.00 C ATOM 650 NH1 ARG A 41 6.198 14.810 -3.721 1.00 0.00 N ATOM 651 NH2 ARG A 41 6.488 16.674 -5.025 1.00 0.00 N ATOM 0 H ARG A 41 9.058 10.166 -0.670 1.00 0.00 H new ATOM 0 HA ARG A 41 10.237 11.884 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.268 12.335 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.521 13.265 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.178 14.306 -2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.199 14.222 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.563 15.236 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.063 16.141 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 41 8.404 17.142 -3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.484 14.226 -2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.397 14.540 -4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.998 17.529 -5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.686 16.398 -5.592 1.00 0.00 H new ATOM 665 N ARG A 42 9.704 12.589 1.403 1.00 0.00 N ATOM 666 CA ARG A 42 10.043 13.386 2.580 1.00 0.00 C ATOM 667 C ARG A 42 11.529 13.261 2.921 1.00 0.00 C ATOM 668 O ARG A 42 12.334 12.858 2.081 1.00 0.00 O ATOM 669 CB ARG A 42 9.178 12.982 3.779 1.00 0.00 C ATOM 670 CG ARG A 42 8.334 14.127 4.327 1.00 0.00 C ATOM 671 CD ARG A 42 9.187 15.336 4.689 1.00 0.00 C ATOM 672 NE ARG A 42 8.473 16.595 4.482 1.00 0.00 N ATOM 673 CZ ARG A 42 8.695 17.426 3.463 1.00 0.00 C ATOM 674 NH1 ARG A 42 9.615 17.146 2.547 1.00 0.00 N ATOM 675 NH2 ARG A 42 7.996 18.547 3.361 1.00 0.00 N ATOM 0 H ARG A 42 9.506 11.607 1.594 1.00 0.00 H new ATOM 0 HA ARG A 42 9.838 14.431 2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.521 12.164 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.823 12.603 4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.589 14.417 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.791 13.788 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.496 15.262 5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.095 15.332 4.087 1.00 0.00 H new ATOM 0 HE ARG A 42 7.758 16.855 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.161 16.287 2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.776 17.790 1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.290 18.773 4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.164 19.184 2.582 1.00 0.00 H new ATOM 689 N LYS A 43 11.889 13.628 4.150 1.00 0.00 N ATOM 690 CA LYS A 43 13.278 13.575 4.591 1.00 0.00 C ATOM 691 C LYS A 43 13.770 12.138 4.762 1.00 0.00 C ATOM 692 O LYS A 43 14.805 11.764 4.211 1.00 0.00 O ATOM 693 CB LYS A 43 13.446 14.351 5.902 1.00 0.00 C ATOM 694 CG LYS A 43 12.526 13.886 7.020 1.00 0.00 C ATOM 695 CD LYS A 43 13.231 12.914 7.956 1.00 0.00 C ATOM 696 CE LYS A 43 13.031 13.299 9.413 1.00 0.00 C ATOM 697 NZ LYS A 43 13.437 14.708 9.677 1.00 0.00 N ATOM 0 H LYS A 43 11.236 13.965 4.857 1.00 0.00 H new ATOM 0 HA LYS A 43 13.886 14.039 3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.480 14.261 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.264 15.409 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.176 14.749 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.645 13.407 6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.851 11.906 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.296 12.894 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.983 13.167 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.611 12.629 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.821 14.784 10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.165 14.994 8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.609 15.331 9.584 1.00 0.00 H new ATOM 711 N ASN A 44 13.033 11.338 5.527 1.00 0.00 N ATOM 712 CA ASN A 44 13.414 9.949 5.764 1.00 0.00 C ATOM 713 C ASN A 44 12.242 9.140 6.325 1.00 0.00 C ATOM 714 O ASN A 44 12.223 8.821 7.512 1.00 0.00 O ATOM 715 CB ASN A 44 14.593 9.882 6.738 1.00 0.00 C ATOM 716 CG ASN A 44 15.926 10.120 6.056 1.00 0.00 C ATOM 717 OD1 ASN A 44 16.144 9.686 4.926 1.00 0.00 O ATOM 718 ND2 ASN A 44 16.826 10.814 6.743 1.00 0.00 N ATOM 0 H ASN A 44 12.172 11.626 5.992 1.00 0.00 H new ATOM 0 HA ASN A 44 13.706 9.517 4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.453 10.624 7.524 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.605 8.905 7.221 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.741 11.006 6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.602 11.155 7.678 1.00 0.00 H new ATOM 725 N PHE A 45 11.271 8.818 5.460 1.00 0.00 N ATOM 726 CA PHE A 45 10.080 8.044 5.839 1.00 0.00 C ATOM 727 C PHE A 45 10.322 7.124 7.039 1.00 0.00 C ATOM 728 O PHE A 45 10.589 5.934 6.880 1.00 0.00 O ATOM 729 CB PHE A 45 9.607 7.206 4.640 1.00 0.00 C ATOM 730 CG PHE A 45 10.668 6.298 4.056 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.941 6.212 4.612 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.384 5.527 2.940 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.898 5.380 4.067 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.339 4.693 2.390 1.00 0.00 C ATOM 735 CZ PHE A 45 12.597 4.619 2.954 1.00 0.00 C ATOM 0 H PHE A 45 11.289 9.087 4.476 1.00 0.00 H new ATOM 0 HA PHE A 45 9.314 8.762 6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.756 6.599 4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.252 7.879 3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.183 6.804 5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.402 5.579 2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.881 5.324 4.510 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.101 4.100 1.520 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.344 3.967 2.526 1.00 0.00 H new ATOM 745 N LYS A 46 10.214 7.684 8.240 1.00 0.00 N ATOM 746 CA LYS A 46 10.413 6.913 9.464 1.00 0.00 C ATOM 747 C LYS A 46 9.412 5.755 9.533 1.00 0.00 C ATOM 748 O LYS A 46 8.214 5.974 9.711 1.00 0.00 O ATOM 749 CB LYS A 46 10.256 7.820 10.694 1.00 0.00 C ATOM 750 CG LYS A 46 11.182 7.479 11.858 1.00 0.00 C ATOM 751 CD LYS A 46 12.526 8.184 11.735 1.00 0.00 C ATOM 752 CE LYS A 46 13.251 7.807 10.453 1.00 0.00 C ATOM 753 NZ LYS A 46 13.600 6.359 10.414 1.00 0.00 N ATOM 0 H LYS A 46 9.990 8.667 8.392 1.00 0.00 H new ATOM 0 HA LYS A 46 11.423 6.502 9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.437 8.852 10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.224 7.765 11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.706 7.764 12.797 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.339 6.401 11.894 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.373 9.263 11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.149 7.929 12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.623 8.052 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.160 8.402 10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.242 5.939 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.633 6.250 10.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.168 5.876 11.227 1.00 0.00 H new ATOM 767 N PRO A 47 9.887 4.505 9.374 1.00 0.00 N ATOM 768 CA PRO A 47 9.028 3.307 9.393 1.00 0.00 C ATOM 769 C PRO A 47 8.102 3.202 10.607 1.00 0.00 C ATOM 770 O PRO A 47 7.257 2.309 10.672 1.00 0.00 O ATOM 771 CB PRO A 47 10.043 2.169 9.393 1.00 0.00 C ATOM 772 CG PRO A 47 11.152 2.731 8.605 1.00 0.00 C ATOM 773 CD PRO A 47 11.295 4.138 9.131 1.00 0.00 C ATOM 0 HA PRO A 47 8.335 3.309 8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.356 1.905 10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.639 1.265 8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.069 2.158 8.742 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.928 2.724 7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.892 4.177 10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.773 4.800 8.408 1.00 0.00 H new ATOM 781 N THR A 48 8.259 4.104 11.564 1.00 0.00 N ATOM 782 CA THR A 48 7.429 4.097 12.767 1.00 0.00 C ATOM 783 C THR A 48 5.956 4.256 12.401 1.00 0.00 C ATOM 784 O THR A 48 5.128 3.404 12.724 1.00 0.00 O ATOM 785 CB THR A 48 7.862 5.229 13.713 1.00 0.00 C ATOM 786 OG1 THR A 48 6.894 5.431 14.726 1.00 0.00 O ATOM 787 CG2 THR A 48 8.065 6.550 13.002 1.00 0.00 C ATOM 0 H THR A 48 8.952 4.851 11.534 1.00 0.00 H new ATOM 0 HA THR A 48 7.560 3.141 13.273 1.00 0.00 H new ATOM 0 HB THR A 48 8.814 4.909 14.136 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.180 6.165 15.310 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.370 7.308 13.723 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.839 6.439 12.243 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.132 6.855 12.527 1.00 0.00 H new ATOM 795 N LYS A 49 5.642 5.345 11.712 1.00 0.00 N ATOM 796 CA LYS A 49 4.277 5.621 11.280 1.00 0.00 C ATOM 797 C LYS A 49 4.243 5.885 9.775 1.00 0.00 C ATOM 798 O LYS A 49 3.195 5.763 9.140 1.00 0.00 O ATOM 799 CB LYS A 49 3.676 6.818 12.036 1.00 0.00 C ATOM 800 CG LYS A 49 4.699 7.758 12.660 1.00 0.00 C ATOM 801 CD LYS A 49 4.746 7.606 14.174 1.00 0.00 C ATOM 802 CE LYS A 49 4.083 8.782 14.874 1.00 0.00 C ATOM 803 NZ LYS A 49 2.826 9.201 14.193 1.00 0.00 N ATOM 0 H LYS A 49 6.319 6.057 11.438 1.00 0.00 H new ATOM 0 HA LYS A 49 3.673 4.742 11.507 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.052 7.388 11.348 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.022 6.442 12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.685 7.554 12.242 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.452 8.788 12.404 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.247 6.681 14.463 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.783 7.525 14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.863 8.512 15.907 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.776 9.623 14.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.196 9.661 14.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.051 9.869 13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.352 8.366 13.794 1.00 0.00 H new ATOM 817 N TYR A 50 5.396 6.250 9.207 1.00 0.00 N ATOM 818 CA TYR A 50 5.487 6.529 7.783 1.00 0.00 C ATOM 819 C TYR A 50 5.512 5.241 6.965 1.00 0.00 C ATOM 820 O TYR A 50 5.149 5.252 5.790 1.00 0.00 O ATOM 821 CB TYR A 50 6.722 7.378 7.468 1.00 0.00 C ATOM 822 CG TYR A 50 6.649 8.783 8.022 1.00 0.00 C ATOM 823 CD1 TYR A 50 5.674 9.672 7.585 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.556 9.222 8.978 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.606 10.959 8.086 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.494 10.507 9.484 1.00 0.00 C ATOM 827 CZ TYR A 50 6.518 11.371 9.034 1.00 0.00 C ATOM 828 OH TYR A 50 6.454 12.651 9.535 1.00 0.00 O ATOM 0 H TYR A 50 6.274 6.357 9.715 1.00 0.00 H new ATOM 0 HA TYR A 50 4.597 7.093 7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.605 6.883 7.872 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.851 7.429 6.387 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.958 9.352 6.842 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.322 8.548 9.332 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.842 11.638 7.736 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.206 10.832 10.228 1.00 0.00 H new ATOM 0 HH TYR A 50 7.167 12.780 10.194 1.00 0.00 H new ATOM 838 N SER A 51 5.940 4.128 7.577 1.00 0.00 N ATOM 839 CA SER A 51 5.990 2.846 6.862 1.00 0.00 C ATOM 840 C SER A 51 4.587 2.366 6.475 1.00 0.00 C ATOM 841 O SER A 51 4.137 1.304 6.906 1.00 0.00 O ATOM 842 CB SER A 51 6.686 1.773 7.707 1.00 0.00 C ATOM 843 OG SER A 51 6.379 0.470 7.242 1.00 0.00 O ATOM 0 H SER A 51 6.251 4.088 8.548 1.00 0.00 H new ATOM 0 HA SER A 51 6.565 3.009 5.950 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.765 1.927 7.677 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.379 1.871 8.748 1.00 0.00 H new ATOM 0 HG SER A 51 5.414 0.314 7.318 1.00 0.00 H new ATOM 849 N SER A 52 3.908 3.155 5.652 1.00 0.00 N ATOM 850 CA SER A 52 2.565 2.823 5.188 1.00 0.00 C ATOM 851 C SER A 52 2.090 3.864 4.188 1.00 0.00 C ATOM 852 O SER A 52 2.558 4.998 4.190 1.00 0.00 O ATOM 853 CB SER A 52 1.586 2.730 6.358 1.00 0.00 C ATOM 854 OG SER A 52 1.539 3.946 7.084 1.00 0.00 O ATOM 0 H SER A 52 4.269 4.037 5.289 1.00 0.00 H new ATOM 0 HA SER A 52 2.602 1.848 4.701 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.591 2.487 5.985 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.884 1.918 7.022 1.00 0.00 H new ATOM 0 HG SER A 52 0.904 3.860 7.826 1.00 0.00 H new ATOM 860 N ILE A 53 1.174 3.470 3.326 1.00 0.00 N ATOM 861 CA ILE A 53 0.654 4.359 2.311 1.00 0.00 C ATOM 862 C ILE A 53 -0.866 4.250 2.272 1.00 0.00 C ATOM 863 O ILE A 53 -1.423 3.231 2.680 1.00 0.00 O ATOM 864 CB ILE A 53 1.231 3.962 0.937 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.757 3.749 1.015 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.870 4.965 -0.162 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.591 5.013 1.049 1.00 0.00 C ATOM 0 H ILE A 53 0.773 2.532 3.310 1.00 0.00 H new ATOM 0 HA ILE A 53 0.940 5.385 2.544 1.00 0.00 H new ATOM 0 HB ILE A 53 0.767 3.014 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.979 3.164 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.067 3.153 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.301 4.638 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.214 5.025 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.266 5.947 0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.647 4.750 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.408 5.594 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.319 5.605 1.923 1.00 0.00 H new ATOM 879 N CYS A 54 -1.542 5.286 1.790 1.00 0.00 N ATOM 880 CA CYS A 54 -2.991 5.253 1.726 1.00 0.00 C ATOM 881 C CYS A 54 -3.458 5.133 0.265 1.00 0.00 C ATOM 882 O CYS A 54 -2.694 5.418 -0.657 1.00 0.00 O ATOM 883 CB CYS A 54 -3.570 6.477 2.442 1.00 0.00 C ATOM 884 SG CYS A 54 -3.826 7.930 1.408 1.00 0.00 S ATOM 0 H CYS A 54 -1.115 6.145 1.444 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.367 4.371 2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.524 6.198 2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.902 6.748 3.260 1.00 0.00 H new ATOM 889 N SER A 55 -4.687 4.656 0.058 1.00 0.00 N ATOM 890 CA SER A 55 -5.221 4.438 -1.290 1.00 0.00 C ATOM 891 C SER A 55 -5.171 5.680 -2.186 1.00 0.00 C ATOM 892 O SER A 55 -4.913 5.571 -3.385 1.00 0.00 O ATOM 893 CB SER A 55 -6.663 3.939 -1.207 1.00 0.00 C ATOM 894 OG SER A 55 -6.870 3.160 -0.041 1.00 0.00 O ATOM 0 H SER A 55 -5.334 4.412 0.808 1.00 0.00 H new ATOM 0 HA SER A 55 -4.575 3.690 -1.750 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.345 4.789 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.896 3.345 -2.091 1.00 0.00 H new ATOM 0 HG SER A 55 -6.004 2.927 0.354 1.00 0.00 H new ATOM 900 N GLU A 56 -5.459 6.844 -1.618 1.00 0.00 N ATOM 901 CA GLU A 56 -5.493 8.091 -2.350 1.00 0.00 C ATOM 902 C GLU A 56 -4.390 8.229 -3.411 1.00 0.00 C ATOM 903 O GLU A 56 -4.558 8.967 -4.383 1.00 0.00 O ATOM 904 CB GLU A 56 -5.406 9.230 -1.350 1.00 0.00 C ATOM 905 CG GLU A 56 -6.518 9.207 -0.326 1.00 0.00 C ATOM 906 CD GLU A 56 -6.874 10.591 0.184 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.313 11.579 -0.336 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.715 10.686 1.103 1.00 0.00 O ATOM 0 H GLU A 56 -5.677 6.944 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.430 8.117 -2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.446 9.182 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.433 10.179 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.403 8.748 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.219 8.580 0.514 1.00 0.00 H new ATOM 915 N HIS A 57 -3.261 7.554 -3.220 1.00 0.00 N ATOM 916 CA HIS A 57 -2.145 7.656 -4.167 1.00 0.00 C ATOM 917 C HIS A 57 -2.054 6.444 -5.090 1.00 0.00 C ATOM 918 O HIS A 57 -1.399 6.500 -6.131 1.00 0.00 O ATOM 919 CB HIS A 57 -0.830 7.833 -3.393 1.00 0.00 C ATOM 920 CG HIS A 57 -0.991 8.703 -2.197 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.480 9.990 -2.250 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.793 8.423 -0.899 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.579 10.463 -1.015 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.169 9.524 -0.172 1.00 0.00 N ATOM 0 H HIS A 57 -3.091 6.935 -2.427 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.325 8.525 -4.799 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.460 6.856 -3.082 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.077 8.263 -4.054 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.726 10.496 -3.101 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.407 7.497 -0.499 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.933 11.446 -0.742 1.00 0.00 H new ATOM 932 N PHE A 58 -2.708 5.353 -4.714 1.00 0.00 N ATOM 933 CA PHE A 58 -2.685 4.143 -5.526 1.00 0.00 C ATOM 934 C PHE A 58 -3.772 4.187 -6.598 1.00 0.00 C ATOM 935 O PHE A 58 -4.793 4.854 -6.428 1.00 0.00 O ATOM 936 CB PHE A 58 -2.880 2.913 -4.642 1.00 0.00 C ATOM 937 CG PHE A 58 -1.627 2.503 -3.936 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.632 1.819 -4.612 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.435 2.816 -2.602 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.530 1.451 -3.968 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.274 2.453 -1.955 1.00 0.00 C ATOM 942 CZ PHE A 58 0.709 1.769 -2.638 1.00 0.00 C ATOM 0 H PHE A 58 -3.258 5.280 -3.858 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.715 4.082 -6.019 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.656 3.120 -3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.235 2.084 -5.254 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.767 1.571 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.203 3.350 -2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.299 0.915 -4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.134 2.704 -0.914 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.619 1.482 -2.132 1.00 0.00 H new ATOM 952 N THR A 59 -3.559 3.466 -7.698 1.00 0.00 N ATOM 953 CA THR A 59 -4.540 3.425 -8.781 1.00 0.00 C ATOM 954 C THR A 59 -5.542 2.296 -8.560 1.00 0.00 C ATOM 955 O THR A 59 -5.189 1.215 -8.088 1.00 0.00 O ATOM 956 CB THR A 59 -3.861 3.239 -10.145 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.880 2.220 -10.081 1.00 0.00 O ATOM 958 CG2 THR A 59 -3.190 4.488 -10.693 1.00 0.00 C ATOM 0 H THR A 59 -2.722 2.906 -7.862 1.00 0.00 H new ATOM 0 HA THR A 59 -5.064 4.381 -8.778 1.00 0.00 H new ATOM 0 HB THR A 59 -4.676 2.976 -10.820 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.460 2.115 -10.960 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.737 4.264 -11.659 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.933 5.276 -10.815 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.418 4.821 -9.999 1.00 0.00 H new ATOM 966 N PRO A 60 -6.813 2.540 -8.913 1.00 0.00 N ATOM 967 CA PRO A 60 -7.894 1.555 -8.774 1.00 0.00 C ATOM 968 C PRO A 60 -7.543 0.220 -9.416 1.00 0.00 C ATOM 969 O PRO A 60 -7.876 -0.844 -8.893 1.00 0.00 O ATOM 970 CB PRO A 60 -9.054 2.207 -9.529 1.00 0.00 C ATOM 971 CG PRO A 60 -8.783 3.655 -9.437 1.00 0.00 C ATOM 972 CD PRO A 60 -7.295 3.803 -9.492 1.00 0.00 C ATOM 0 HA PRO A 60 -8.109 1.328 -7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.090 1.874 -10.566 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.014 1.953 -9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.259 4.193 -10.257 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.182 4.068 -8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.941 3.939 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.954 4.665 -8.919 1.00 0.00 H new ATOM 980 N ASP A 61 -6.876 0.287 -10.563 1.00 0.00 N ATOM 981 CA ASP A 61 -6.485 -0.913 -11.297 1.00 0.00 C ATOM 982 C ASP A 61 -5.632 -1.840 -10.439 1.00 0.00 C ATOM 983 O ASP A 61 -5.652 -3.058 -10.614 1.00 0.00 O ATOM 984 CB ASP A 61 -5.724 -0.534 -12.568 1.00 0.00 C ATOM 985 CG ASP A 61 -5.403 -1.738 -13.432 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.285 -2.609 -13.587 1.00 0.00 O ATOM 987 OD2 ASP A 61 -4.270 -1.811 -13.952 1.00 0.00 O ATOM 0 H ASP A 61 -6.594 1.161 -11.006 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.397 -1.446 -11.568 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.317 0.176 -13.145 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.797 -0.028 -12.296 1.00 0.00 H new ATOM 992 N CYS A 62 -4.880 -1.254 -9.521 1.00 0.00 N ATOM 993 CA CYS A 62 -4.015 -2.014 -8.640 1.00 0.00 C ATOM 994 C CYS A 62 -4.753 -2.450 -7.367 1.00 0.00 C ATOM 995 O CYS A 62 -4.186 -3.146 -6.524 1.00 0.00 O ATOM 996 CB CYS A 62 -2.766 -1.177 -8.310 1.00 0.00 C ATOM 997 SG CYS A 62 -2.567 -0.722 -6.566 1.00 0.00 S ATOM 0 H CYS A 62 -4.853 -0.246 -9.368 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.705 -2.927 -9.148 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.884 -1.734 -8.625 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.795 -0.264 -8.904 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.733 -0.474 -6.047 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.016 -2.045 -7.234 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.815 -2.402 -6.067 1.00 0.00 C ATOM 1005 C PHE A 63 -7.985 -3.296 -6.471 1.00 0.00 C ATOM 1006 O PHE A 63 -9.134 -3.027 -6.120 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.342 -1.138 -5.376 1.00 0.00 C ATOM 1008 CG PHE A 63 -6.408 -0.558 -4.346 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -5.051 -0.842 -4.372 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -6.892 0.278 -3.353 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -4.196 -0.303 -3.430 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -6.041 0.819 -2.407 1.00 0.00 C ATOM 1013 CZ PHE A 63 -4.692 0.528 -2.446 1.00 0.00 C ATOM 0 H PHE A 63 -6.505 -1.470 -7.920 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.179 -2.949 -5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.543 -0.381 -6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.293 -1.370 -4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.657 -1.493 -5.139 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.946 0.510 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.141 -0.532 -3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.431 1.469 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.026 0.950 -1.708 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.689 -4.359 -7.214 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.728 -5.283 -7.663 1.00 0.00 C ATOM 1025 C LYS A 64 -8.649 -6.619 -6.924 1.00 0.00 C ATOM 1026 O LYS A 64 -9.341 -7.572 -7.282 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.651 -5.527 -9.183 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.284 -5.275 -9.816 1.00 0.00 C ATOM 1029 CD LYS A 64 -6.369 -6.492 -9.713 1.00 0.00 C ATOM 1030 CE LYS A 64 -5.629 -6.741 -11.018 1.00 0.00 C ATOM 1031 NZ LYS A 64 -4.955 -5.512 -11.519 1.00 0.00 N ATOM 0 H LYS A 64 -6.746 -4.601 -7.516 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.684 -4.813 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.942 -6.558 -9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.384 -4.888 -9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.415 -5.008 -10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.810 -4.424 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.650 -6.341 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.958 -7.371 -9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.888 -7.527 -10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.331 -7.102 -11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.353 -5.250 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.105 -4.735 -10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.936 -5.692 -11.620 1.00 0.00 H new ATOM 1045 N ARG A 65 -7.813 -6.689 -5.891 1.00 0.00 N ATOM 1046 CA ARG A 65 -7.671 -7.917 -5.115 1.00 0.00 C ATOM 1047 C ARG A 65 -8.678 -7.947 -3.970 1.00 0.00 C ATOM 1048 O ARG A 65 -8.775 -7.001 -3.189 1.00 0.00 O ATOM 1049 CB ARG A 65 -6.247 -8.051 -4.572 1.00 0.00 C ATOM 1050 CG ARG A 65 -5.188 -8.102 -5.661 1.00 0.00 C ATOM 1051 CD ARG A 65 -3.846 -8.562 -5.116 1.00 0.00 C ATOM 1052 NE ARG A 65 -3.709 -10.016 -5.150 1.00 0.00 N ATOM 1053 CZ ARG A 65 -3.402 -10.707 -6.246 1.00 0.00 C ATOM 1054 NH1 ARG A 65 -3.199 -10.081 -7.398 1.00 0.00 N ATOM 1055 NH2 ARG A 65 -3.297 -12.027 -6.189 1.00 0.00 N ATOM 0 H ARG A 65 -7.228 -5.916 -5.574 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.870 -8.761 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.038 -7.210 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.180 -8.956 -3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.511 -8.779 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.080 -7.115 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.044 -8.109 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.732 -8.211 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.857 -10.532 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.278 -9.065 -7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.964 -10.615 -8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.451 -12.513 -5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.062 -12.557 -7.028 1.00 0.00 H new ATOM 1069 N GLU A 66 -9.435 -9.037 -3.883 1.00 0.00 N ATOM 1070 CA GLU A 66 -10.446 -9.190 -2.840 1.00 0.00 C ATOM 1071 C GLU A 66 -9.837 -9.027 -1.449 1.00 0.00 C ATOM 1072 O GLU A 66 -10.502 -8.565 -0.523 1.00 0.00 O ATOM 1073 CB GLU A 66 -11.127 -10.555 -2.960 1.00 0.00 C ATOM 1074 CG GLU A 66 -12.633 -10.466 -3.151 1.00 0.00 C ATOM 1075 CD GLU A 66 -13.020 -9.580 -4.319 1.00 0.00 C ATOM 1076 OE1 GLU A 66 -12.170 -9.360 -5.206 1.00 0.00 O ATOM 1077 OE2 GLU A 66 -14.176 -9.107 -4.346 1.00 0.00 O ATOM 0 H GLU A 66 -9.368 -9.829 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.190 -8.406 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.693 -11.096 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.916 -11.138 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.035 -11.467 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.089 -10.080 -2.240 1.00 0.00 H new ATOM 1084 N CYS A 67 -8.572 -9.412 -1.309 1.00 0.00 N ATOM 1085 CA CYS A 67 -7.880 -9.308 -0.027 1.00 0.00 C ATOM 1086 C CYS A 67 -7.718 -7.843 0.403 1.00 0.00 C ATOM 1087 O CYS A 67 -6.617 -7.298 0.339 1.00 0.00 O ATOM 1088 CB CYS A 67 -6.503 -9.971 -0.122 1.00 0.00 C ATOM 1089 SG CYS A 67 -5.908 -10.667 1.436 1.00 0.00 S ATOM 0 H CYS A 67 -8.006 -9.798 -2.065 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.484 -9.819 0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.544 -10.764 -0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.782 -9.235 -0.478 1.00 0.00 H new ATOM 0 HG CYS A 67 -4.739 -11.206 1.252 1.00 0.00 H new ATOM 1095 N ASN A 68 -8.809 -7.203 0.843 1.00 0.00 N ATOM 1096 CA ASN A 68 -8.756 -5.810 1.272 1.00 0.00 C ATOM 1097 C ASN A 68 -7.643 -5.592 2.292 1.00 0.00 C ATOM 1098 O ASN A 68 -7.044 -4.518 2.353 1.00 0.00 O ATOM 1099 CB ASN A 68 -10.104 -5.401 1.872 1.00 0.00 C ATOM 1100 CG ASN A 68 -10.117 -3.963 2.354 1.00 0.00 C ATOM 1101 OD1 ASN A 68 -9.671 -3.049 1.500 1.00 0.00 O flip ATOM 1102 ND2 ASN A 68 -10.525 -3.677 3.479 1.00 0.00 N flip ATOM 0 H ASN A 68 -9.733 -7.630 0.909 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.543 -5.190 0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.886 -5.537 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.342 -6.062 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.859 -4.412 4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.529 -2.705 3.788 1.00 0.00 H new ATOM 1109 N ASN A 69 -7.376 -6.617 3.091 1.00 0.00 N ATOM 1110 CA ASN A 69 -6.338 -6.538 4.111 1.00 0.00 C ATOM 1111 C ASN A 69 -4.942 -6.520 3.488 1.00 0.00 C ATOM 1112 O ASN A 69 -3.959 -6.230 4.168 1.00 0.00 O ATOM 1113 CB ASN A 69 -6.457 -7.716 5.079 1.00 0.00 C ATOM 1114 CG ASN A 69 -5.690 -7.486 6.367 1.00 0.00 C ATOM 1115 OD1 ASN A 69 -4.496 -7.774 6.452 1.00 0.00 O ATOM 1116 ND2 ASN A 69 -6.374 -6.964 7.378 1.00 0.00 N ATOM 0 H ASN A 69 -7.863 -7.512 3.053 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.479 -5.605 4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.508 -7.887 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.086 -8.619 4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.911 -6.786 8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.363 -6.740 7.263 1.00 0.00 H new ATOM 1123 N LYS A 70 -4.856 -6.833 2.196 1.00 0.00 N ATOM 1124 CA LYS A 70 -3.569 -6.850 1.508 1.00 0.00 C ATOM 1125 C LYS A 70 -3.721 -6.533 0.022 1.00 0.00 C ATOM 1126 O LYS A 70 -4.060 -7.407 -0.776 1.00 0.00 O ATOM 1127 CB LYS A 70 -2.900 -8.215 1.673 1.00 0.00 C ATOM 1128 CG LYS A 70 -2.394 -8.485 3.081 1.00 0.00 C ATOM 1129 CD LYS A 70 -1.099 -9.282 3.062 1.00 0.00 C ATOM 1130 CE LYS A 70 -0.971 -10.173 4.288 1.00 0.00 C ATOM 1131 NZ LYS A 70 -0.546 -11.555 3.927 1.00 0.00 N ATOM 0 H LYS A 70 -5.655 -7.076 1.610 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.946 -6.078 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.611 -8.993 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.064 -8.286 0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.234 -7.540 3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.151 -9.032 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.061 -9.894 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.251 -8.598 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.248 -9.739 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.927 -10.212 4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.470 -12.131 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.249 -11.979 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.378 -11.521 3.451 1.00 0.00 H new ATOM 1145 N LEU A 71 -3.445 -5.285 -0.347 1.00 0.00 N ATOM 1146 CA LEU A 71 -3.529 -4.868 -1.743 1.00 0.00 C ATOM 1147 C LEU A 71 -2.352 -3.966 -2.102 1.00 0.00 C ATOM 1148 O LEU A 71 -2.414 -2.749 -1.931 1.00 0.00 O ATOM 1149 CB LEU A 71 -4.840 -4.125 -2.009 1.00 0.00 C ATOM 1150 CG LEU A 71 -6.054 -4.650 -1.250 1.00 0.00 C ATOM 1151 CD1 LEU A 71 -7.116 -3.568 -1.124 1.00 0.00 C ATOM 1152 CD2 LEU A 71 -6.621 -5.880 -1.940 1.00 0.00 C ATOM 0 H LEU A 71 -3.162 -4.548 0.299 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.498 -5.764 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.700 -3.074 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.053 -4.170 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.736 -4.934 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.974 -3.962 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.704 -2.715 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.432 -3.250 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.487 -6.242 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.923 -5.621 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.861 -6.660 -1.975 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.287 -4.572 -2.612 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.100 -3.833 -3.009 1.00 0.00 C ATOM 1166 C LEU A 72 0.884 -4.754 -3.732 1.00 0.00 C ATOM 1167 O LEU A 72 2.098 -4.648 -3.557 1.00 0.00 O ATOM 1168 CB LEU A 72 0.562 -3.182 -1.792 1.00 0.00 C ATOM 1169 CG LEU A 72 1.118 -4.155 -0.748 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.081 -3.438 0.184 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -0.014 -4.796 0.044 1.00 0.00 C ATOM 0 H LEU A 72 -1.223 -5.579 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.399 -3.042 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.375 -2.545 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.167 -2.533 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 72 1.662 -4.944 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.468 -4.143 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.909 -3.027 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.558 -2.629 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.401 -5.484 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.586 -4.021 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.669 -5.343 -0.635 1.00 0.00 H new ATOM 1183 N LYS A 73 0.342 -5.666 -4.535 1.00 0.00 N ATOM 1184 CA LYS A 73 1.151 -6.628 -5.284 1.00 0.00 C ATOM 1185 C LYS A 73 2.130 -5.939 -6.227 1.00 0.00 C ATOM 1186 O LYS A 73 2.191 -4.712 -6.300 1.00 0.00 O ATOM 1187 CB LYS A 73 0.245 -7.570 -6.079 1.00 0.00 C ATOM 1188 CG LYS A 73 -0.511 -8.560 -5.208 1.00 0.00 C ATOM 1189 CD LYS A 73 0.411 -9.640 -4.665 1.00 0.00 C ATOM 1190 CE LYS A 73 0.395 -10.879 -5.545 1.00 0.00 C ATOM 1191 NZ LYS A 73 0.922 -12.075 -4.831 1.00 0.00 N ATOM 0 H LYS A 73 -0.662 -5.760 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 73 1.732 -7.199 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.471 -6.978 -6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.849 -8.120 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.982 -8.032 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.311 -9.020 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.428 -9.253 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.105 -9.907 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.624 -11.075 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.992 -10.697 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.894 -12.898 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.903 -11.899 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.337 -12.264 -3.992 1.00 0.00 H new ATOM 1205 N GLU A 74 2.901 -6.755 -6.944 1.00 0.00 N ATOM 1206 CA GLU A 74 3.898 -6.259 -7.893 1.00 0.00 C ATOM 1207 C GLU A 74 3.329 -5.155 -8.776 1.00 0.00 C ATOM 1208 O GLU A 74 4.054 -4.268 -9.221 1.00 0.00 O ATOM 1209 CB GLU A 74 4.418 -7.406 -8.763 1.00 0.00 C ATOM 1210 CG GLU A 74 5.470 -6.976 -9.772 1.00 0.00 C ATOM 1211 CD GLU A 74 6.869 -7.407 -9.378 1.00 0.00 C ATOM 1212 OE1 GLU A 74 7.019 -8.532 -8.858 1.00 0.00 O ATOM 1213 OE2 GLU A 74 7.816 -6.618 -9.588 1.00 0.00 O ATOM 0 H GLU A 74 2.854 -7.772 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 74 4.723 -5.839 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.839 -8.178 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.580 -7.857 -9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.226 -7.397 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.445 -5.891 -9.878 1.00 0.00 H new ATOM 1220 N ASN A 75 2.033 -5.210 -9.021 1.00 0.00 N ATOM 1221 CA ASN A 75 1.372 -4.205 -9.842 1.00 0.00 C ATOM 1222 C ASN A 75 1.337 -2.874 -9.107 1.00 0.00 C ATOM 1223 O ASN A 75 1.565 -1.812 -9.687 1.00 0.00 O ATOM 1224 CB ASN A 75 -0.051 -4.647 -10.177 1.00 0.00 C ATOM 1225 CG ASN A 75 -0.080 -5.849 -11.100 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.294 -5.757 -12.270 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -0.526 -6.985 -10.578 1.00 0.00 N ATOM 0 H ASN A 75 1.415 -5.939 -8.665 1.00 0.00 H new ATOM 0 HA ASN A 75 1.933 -4.088 -10.769 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.581 -4.887 -9.255 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.585 -3.820 -10.645 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.569 -7.827 -11.151 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.826 -7.015 -9.604 1.00 0.00 H new ATOM 1234 N ALA A 76 1.033 -2.963 -7.823 1.00 0.00 N ATOM 1235 CA ALA A 76 0.935 -1.811 -6.941 1.00 0.00 C ATOM 1236 C ALA A 76 1.951 -0.727 -7.251 1.00 0.00 C ATOM 1237 O ALA A 76 3.097 -1.009 -7.599 1.00 0.00 O ATOM 1238 CB ALA A 76 1.057 -2.257 -5.498 1.00 0.00 C ATOM 0 H ALA A 76 0.844 -3.850 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.045 -1.365 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.983 -1.390 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.256 -2.958 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.020 -2.744 -5.348 1.00 0.00 H new ATOM 1244 N VAL A 77 1.500 0.517 -7.119 1.00 0.00 N ATOM 1245 CA VAL A 77 2.327 1.682 -7.380 1.00 0.00 C ATOM 1246 C VAL A 77 1.577 2.957 -6.964 1.00 0.00 C ATOM 1247 O VAL A 77 0.377 3.081 -7.209 1.00 0.00 O ATOM 1248 CB VAL A 77 2.684 1.746 -8.886 1.00 0.00 C ATOM 1249 CG1 VAL A 77 2.963 3.173 -9.346 1.00 0.00 C ATOM 1250 CG2 VAL A 77 3.869 0.848 -9.197 1.00 0.00 C ATOM 0 H VAL A 77 0.549 0.742 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 77 3.247 1.605 -6.800 1.00 0.00 H new ATOM 0 HB VAL A 77 1.816 1.387 -9.438 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.209 3.171 -10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.079 3.788 -9.179 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.801 3.581 -8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.102 0.909 -10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.733 1.172 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.623 -0.182 -8.938 1.00 0.00 H new ATOM 1260 N PRO A 78 2.269 3.922 -6.330 1.00 0.00 N ATOM 1261 CA PRO A 78 1.667 5.176 -5.888 1.00 0.00 C ATOM 1262 C PRO A 78 1.743 6.275 -6.947 1.00 0.00 C ATOM 1263 O PRO A 78 1.899 7.449 -6.617 1.00 0.00 O ATOM 1264 CB PRO A 78 2.520 5.537 -4.689 1.00 0.00 C ATOM 1265 CG PRO A 78 3.883 5.029 -5.028 1.00 0.00 C ATOM 1266 CD PRO A 78 3.700 3.874 -5.986 1.00 0.00 C ATOM 0 HA PRO A 78 0.603 5.074 -5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.529 6.614 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.140 5.074 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.485 5.815 -5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.408 4.705 -4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.327 3.985 -6.870 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.968 2.924 -5.523 1.00 0.00 H new ATOM 1274 N THR A 79 1.646 5.863 -8.214 1.00 0.00 N ATOM 1275 CA THR A 79 1.706 6.756 -9.383 1.00 0.00 C ATOM 1276 C THR A 79 1.765 8.250 -9.038 1.00 0.00 C ATOM 1277 O THR A 79 2.678 8.951 -9.472 1.00 0.00 O ATOM 1278 CB THR A 79 0.502 6.495 -10.288 1.00 0.00 C ATOM 1279 OG1 THR A 79 0.326 5.106 -10.503 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.617 7.159 -11.644 1.00 0.00 C ATOM 0 H THR A 79 1.521 4.882 -8.465 1.00 0.00 H new ATOM 0 HA THR A 79 2.643 6.523 -9.889 1.00 0.00 H new ATOM 0 HB THR A 79 -0.351 6.924 -9.763 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.450 4.961 -11.083 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.270 6.934 -12.236 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.702 8.238 -11.515 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.502 6.784 -12.159 1.00 0.00 H new ATOM 1288 N ILE A 80 0.775 8.737 -8.292 1.00 0.00 N ATOM 1289 CA ILE A 80 0.700 10.145 -7.932 1.00 0.00 C ATOM 1290 C ILE A 80 2.062 10.755 -7.565 1.00 0.00 C ATOM 1291 O ILE A 80 2.272 11.954 -7.747 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.307 10.371 -6.801 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.695 10.306 -7.408 1.00 0.00 C ATOM 1294 CG2 ILE A 80 -0.093 11.720 -6.113 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.791 10.359 -6.392 1.00 0.00 C ATOM 0 H ILE A 80 0.011 8.170 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 80 0.357 10.664 -8.827 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.176 9.604 -6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.817 11.134 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.789 9.386 -7.985 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.827 11.843 -5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.911 11.758 -5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.210 12.523 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.756 10.308 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.694 9.516 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.723 11.291 -5.831 1.00 0.00 H new ATOM 1307 N PHE A 81 2.982 9.939 -7.051 1.00 0.00 N ATOM 1308 CA PHE A 81 4.298 10.424 -6.671 1.00 0.00 C ATOM 1309 C PHE A 81 5.405 9.741 -7.472 1.00 0.00 C ATOM 1310 O PHE A 81 6.587 10.023 -7.272 1.00 0.00 O ATOM 1311 CB PHE A 81 4.567 10.234 -5.167 1.00 0.00 C ATOM 1312 CG PHE A 81 3.438 10.637 -4.257 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.152 10.162 -4.453 1.00 0.00 C ATOM 1314 CD2 PHE A 81 3.676 11.485 -3.185 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.128 10.527 -3.606 1.00 0.00 C ATOM 1316 CE2 PHE A 81 2.654 11.849 -2.332 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.377 11.370 -2.544 1.00 0.00 C ATOM 0 H PHE A 81 2.836 8.942 -6.891 1.00 0.00 H new ATOM 0 HA PHE A 81 4.305 11.490 -6.896 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.801 9.185 -4.986 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.453 10.809 -4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.949 9.497 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.673 11.865 -3.016 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.129 10.152 -3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.853 12.508 -1.500 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.575 11.655 -1.879 1.00 0.00 H new ATOM 1327 N LEU A 82 5.027 8.843 -8.377 1.00 0.00 N ATOM 1328 CA LEU A 82 5.998 8.128 -9.195 1.00 0.00 C ATOM 1329 C LEU A 82 6.754 9.086 -10.112 1.00 0.00 C ATOM 1330 O LEU A 82 6.287 10.188 -10.400 1.00 0.00 O ATOM 1331 CB LEU A 82 5.296 7.048 -10.022 1.00 0.00 C ATOM 1332 CG LEU A 82 6.226 6.154 -10.844 1.00 0.00 C ATOM 1333 CD1 LEU A 82 7.085 5.294 -9.931 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.421 5.284 -11.798 1.00 0.00 C ATOM 0 H LEU A 82 4.055 8.594 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 82 6.720 7.655 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.713 6.419 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.590 7.531 -10.698 1.00 0.00 H new ATOM 0 HG LEU A 82 6.885 6.792 -11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.740 4.665 -10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.688 5.935 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.443 4.664 -9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.098 4.654 -12.375 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.738 4.655 -11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.850 5.919 -12.475 1.00 0.00 H new ATOM 1346 N GLU A 83 7.928 8.654 -10.563 1.00 0.00 N ATOM 1347 CA GLU A 83 8.764 9.463 -11.446 1.00 0.00 C ATOM 1348 C GLU A 83 7.990 9.931 -12.678 1.00 0.00 C ATOM 1349 O GLU A 83 8.289 10.986 -13.239 1.00 0.00 O ATOM 1350 CB GLU A 83 9.997 8.669 -11.879 1.00 0.00 C ATOM 1351 CG GLU A 83 9.664 7.361 -12.578 1.00 0.00 C ATOM 1352 CD GLU A 83 9.863 6.155 -11.681 1.00 0.00 C ATOM 1353 OE1 GLU A 83 10.750 6.206 -10.805 1.00 0.00 O ATOM 1354 OE2 GLU A 83 9.131 5.157 -11.857 1.00 0.00 O ATOM 0 H GLU A 83 8.324 7.743 -10.330 1.00 0.00 H new ATOM 0 HA GLU A 83 9.078 10.345 -10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.599 9.285 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.609 8.457 -11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.629 7.389 -12.919 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.290 7.257 -13.465 1.00 0.00 H new ATOM 1361 N LEU A 84 7.007 9.128 -13.095 1.00 0.00 N ATOM 1362 CA LEU A 84 6.178 9.428 -14.269 1.00 0.00 C ATOM 1363 C LEU A 84 6.141 10.925 -14.591 1.00 0.00 C ATOM 1364 O LEU A 84 6.870 11.395 -15.465 1.00 0.00 O ATOM 1365 CB LEU A 84 4.754 8.905 -14.054 1.00 0.00 C ATOM 1366 CG LEU A 84 3.763 9.235 -15.174 1.00 0.00 C ATOM 1367 CD1 LEU A 84 3.351 7.972 -15.915 1.00 0.00 C ATOM 1368 CD2 LEU A 84 2.541 9.948 -14.616 1.00 0.00 C ATOM 0 H LEU A 84 6.763 8.253 -12.631 1.00 0.00 H new ATOM 0 HA LEU A 84 6.632 8.924 -15.122 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.796 7.822 -13.935 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.371 9.314 -13.119 1.00 0.00 H new ATOM 0 HG LEU A 84 4.257 9.902 -15.881 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.647 8.228 -16.707 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.232 7.502 -16.351 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.878 7.280 -15.219 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.849 10.174 -15.428 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.047 9.307 -13.886 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.850 10.876 -14.134 1.00 0.00 H new ATOM 1380 N VAL A 85 5.294 11.668 -13.884 1.00 0.00 N ATOM 1381 CA VAL A 85 5.176 13.105 -14.108 1.00 0.00 C ATOM 1382 C VAL A 85 4.975 13.856 -12.792 1.00 0.00 C ATOM 1383 O VAL A 85 4.180 13.438 -11.949 1.00 0.00 O ATOM 1384 CB VAL A 85 4.005 13.434 -15.053 1.00 0.00 C ATOM 1385 CG1 VAL A 85 4.017 14.909 -15.425 1.00 0.00 C ATOM 1386 CG2 VAL A 85 4.061 12.562 -16.298 1.00 0.00 C ATOM 0 H VAL A 85 4.682 11.301 -13.155 1.00 0.00 H new ATOM 0 HA VAL A 85 6.109 13.427 -14.570 1.00 0.00 H new ATOM 0 HB VAL A 85 3.072 13.222 -14.532 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.183 15.123 -16.093 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.923 15.513 -14.522 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.954 15.150 -15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.226 12.809 -16.953 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.999 12.738 -16.824 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.998 11.513 -16.010 1.00 0.00 H new ATOM 1396 N PRO A 86 5.688 14.982 -12.598 1.00 0.00 N ATOM 1397 CA PRO A 86 5.580 15.797 -11.378 1.00 0.00 C ATOM 1398 C PRO A 86 4.161 16.304 -11.143 1.00 0.00 C ATOM 1399 O PRO A 86 3.192 15.708 -11.614 1.00 0.00 O ATOM 1400 CB PRO A 86 6.531 16.962 -11.679 1.00 0.00 C ATOM 1401 CG PRO A 86 7.513 16.374 -12.614 1.00 0.00 C ATOM 1402 CD PRO A 86 6.658 15.573 -13.537 1.00 0.00 C ATOM 0 HA PRO A 86 5.826 15.239 -10.474 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.004 17.804 -12.128 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.011 17.332 -10.773 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.073 17.142 -13.147 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.241 15.751 -12.095 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.174 16.194 -14.291 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.229 14.813 -14.070 1.00 0.00 H new ATOM 1410 N ARG A 87 4.044 17.409 -10.411 1.00 0.00 N ATOM 1411 CA ARG A 87 2.741 17.995 -10.116 1.00 0.00 C ATOM 1412 C ARG A 87 2.260 18.860 -11.277 1.00 0.00 C ATOM 1413 O ARG A 87 2.671 20.037 -11.347 1.00 0.00 O ATOM 1414 CB ARG A 87 2.815 18.833 -8.838 1.00 0.00 C ATOM 1415 CG ARG A 87 3.447 18.100 -7.666 1.00 0.00 C ATOM 1416 CD ARG A 87 2.518 17.032 -7.111 1.00 0.00 C ATOM 1417 NE ARG A 87 2.356 15.913 -8.036 1.00 0.00 N ATOM 1418 CZ ARG A 87 1.344 15.050 -7.985 1.00 0.00 C ATOM 1419 NH1 ARG A 87 0.405 15.169 -7.054 1.00 0.00 N ATOM 1420 NH2 ARG A 87 1.270 14.064 -8.869 1.00 0.00 N ATOM 1421 OXT ARG A 87 1.477 18.351 -12.107 1.00 0.00 O ATOM 0 H ARG A 87 4.835 17.915 -10.012 1.00 0.00 H new ATOM 0 HA ARG A 87 2.028 17.183 -9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.386 19.739 -9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.809 19.146 -8.560 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.382 17.640 -7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.694 18.813 -6.880 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.913 16.665 -6.164 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.543 17.473 -6.901 1.00 0.00 H new ATOM 0 HE ARG A 87 3.060 15.786 -8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.456 15.926 -6.372 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.368 14.504 -7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.988 13.968 -9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.495 13.402 -8.831 1.00 0.00 H new TER 1435 ARG A 87 HETATM 1436 ZN ZN A 88 -2.086 9.424 1.608 1.00 0.00 ZN