USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 824 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 28 HIS HD1 : A 28 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 84 HIS HE2 : A 84 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 51 HIS : no HD1:sc= -1.68 K(o=-6,f=-5.2) USER MOD Set 1.2: A 52 HIS : no HD1:sc= -4.37! C(o=-6!,f=-5.2!) USER MOD Set 2.1: A 11 TYR OH : rot 0:sc= 0.711 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -109:sc= 1.24 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0776 (180deg=0) USER MOD Single : A 2 SER OG : rot 2:sc= 1.21 USER MOD Single : A 3 SER OG : rot 2:sc= 0.991 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 22:sc= 0.287 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.36) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.433 K(o=-0.43,f=-1.2) USER MOD Single : A 29 MET CE :methyl -118:sc= -0.141 (180deg=-2.34!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -141:sc= 0 (180deg=-0.0483) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.65 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc=-0.00751 (180deg=-0.122) USER MOD Single : A 57 MET CE :methyl 178:sc= -5.96! (180deg=-6.27!) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0546) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 150:sc= -0.4 USER MOD Single : A 69 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.051) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -176:sc= 0 (180deg=-0.0209) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-0.041) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 73:sc= 0.177 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -160:sc= -0.0342 (180deg=-0.313) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.6!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 25:sc= 0.308 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 21:sc= 0.742 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.653 10.083 37.250 1.00 0.00 N ATOM 2 CA GLY A 1 -25.368 10.073 35.827 1.00 0.00 C ATOM 3 C GLY A 1 -23.947 10.501 35.517 1.00 0.00 C ATOM 4 O GLY A 1 -23.263 11.069 36.369 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.740 9.105 37.594 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.880 10.560 37.756 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.544 10.591 37.422 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.536 9.071 35.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.064 10.738 35.316 1.00 0.00 H new ATOM 8 N SER A 2 -23.500 10.226 34.296 1.00 0.00 N ATOM 9 CA SER A 2 -22.149 10.581 33.878 1.00 0.00 C ATOM 10 C SER A 2 -22.021 10.535 32.358 1.00 0.00 C ATOM 11 O SER A 2 -22.945 10.121 31.659 1.00 0.00 O ATOM 12 CB SER A 2 -21.130 9.635 34.517 1.00 0.00 C ATOM 13 OG SER A 2 -20.950 9.932 35.890 1.00 0.00 O ATOM 0 H SER A 2 -24.054 9.758 33.579 1.00 0.00 H new ATOM 0 HA SER A 2 -21.947 11.599 34.211 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.466 8.604 34.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.176 9.717 33.996 1.00 0.00 H new ATOM 0 HG SER A 2 -21.544 10.668 36.146 1.00 0.00 H new ATOM 19 N SER A 3 -20.868 10.962 31.855 1.00 0.00 N ATOM 20 CA SER A 3 -20.618 10.974 30.418 1.00 0.00 C ATOM 21 C SER A 3 -19.121 11.025 30.127 1.00 0.00 C ATOM 22 O SER A 3 -18.301 11.083 31.043 1.00 0.00 O ATOM 23 CB SER A 3 -21.317 12.169 29.767 1.00 0.00 C ATOM 24 OG SER A 3 -22.721 11.985 29.738 1.00 0.00 O ATOM 0 H SER A 3 -20.092 11.304 32.421 1.00 0.00 H new ATOM 0 HA SER A 3 -21.021 10.053 29.997 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.078 13.079 30.318 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.944 12.304 28.752 1.00 0.00 H new ATOM 0 HG SER A 3 -22.949 11.137 30.173 1.00 0.00 H new ATOM 30 N GLY A 4 -18.773 11.003 28.844 1.00 0.00 N ATOM 31 CA GLY A 4 -17.376 11.047 28.454 1.00 0.00 C ATOM 32 C GLY A 4 -17.191 10.973 26.951 1.00 0.00 C ATOM 33 O GLY A 4 -18.163 10.867 26.204 1.00 0.00 O ATOM 0 H GLY A 4 -19.433 10.956 28.068 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.927 11.967 28.827 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.845 10.219 28.924 1.00 0.00 H new ATOM 37 N SER A 5 -15.940 11.032 26.507 1.00 0.00 N ATOM 38 CA SER A 5 -15.631 10.977 25.083 1.00 0.00 C ATOM 39 C SER A 5 -14.328 10.220 24.838 1.00 0.00 C ATOM 40 O SER A 5 -13.658 9.795 25.780 1.00 0.00 O ATOM 41 CB SER A 5 -15.529 12.390 24.507 1.00 0.00 C ATOM 42 OG SER A 5 -14.309 13.007 24.882 1.00 0.00 O ATOM 0 H SER A 5 -15.124 11.118 27.113 1.00 0.00 H new ATOM 0 HA SER A 5 -16.439 10.445 24.581 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.600 12.349 23.420 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.367 12.991 24.859 1.00 0.00 H new ATOM 0 HG SER A 5 -14.267 13.908 24.500 1.00 0.00 H new ATOM 48 N SER A 6 -13.976 10.057 23.567 1.00 0.00 N ATOM 49 CA SER A 6 -12.757 9.348 23.197 1.00 0.00 C ATOM 50 C SER A 6 -11.882 10.210 22.291 1.00 0.00 C ATOM 51 O SER A 6 -12.315 11.250 21.798 1.00 0.00 O ATOM 52 CB SER A 6 -13.099 8.033 22.494 1.00 0.00 C ATOM 53 OG SER A 6 -13.494 7.043 23.428 1.00 0.00 O ATOM 0 H SER A 6 -14.518 10.406 22.776 1.00 0.00 H new ATOM 0 HA SER A 6 -12.202 9.129 24.109 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.901 8.199 21.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.234 7.682 21.931 1.00 0.00 H new ATOM 0 HG SER A 6 -13.709 6.213 22.954 1.00 0.00 H new ATOM 59 N GLY A 7 -10.646 9.768 22.078 1.00 0.00 N ATOM 60 CA GLY A 7 -9.729 10.509 21.232 1.00 0.00 C ATOM 61 C GLY A 7 -9.094 9.640 20.164 1.00 0.00 C ATOM 62 O GLY A 7 -9.660 8.623 19.764 1.00 0.00 O ATOM 0 H GLY A 7 -10.264 8.910 22.476 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.263 11.332 20.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.947 10.951 21.849 1.00 0.00 H new ATOM 66 N ASP A 8 -7.916 10.042 19.701 1.00 0.00 N ATOM 67 CA ASP A 8 -7.203 9.294 18.672 1.00 0.00 C ATOM 68 C ASP A 8 -5.696 9.495 18.799 1.00 0.00 C ATOM 69 O ASP A 8 -5.169 10.553 18.454 1.00 0.00 O ATOM 70 CB ASP A 8 -7.672 9.723 17.281 1.00 0.00 C ATOM 71 CG ASP A 8 -9.168 9.561 17.099 1.00 0.00 C ATOM 72 OD1 ASP A 8 -9.599 8.469 16.672 1.00 0.00 O ATOM 73 OD2 ASP A 8 -9.908 10.525 17.384 1.00 0.00 O ATOM 0 H ASP A 8 -7.434 10.882 20.022 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.423 8.235 18.810 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.399 10.765 17.114 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.151 9.133 16.527 1.00 0.00 H new ATOM 78 N LYS A 9 -5.008 8.474 19.298 1.00 0.00 N ATOM 79 CA LYS A 9 -3.561 8.537 19.472 1.00 0.00 C ATOM 80 C LYS A 9 -2.845 7.827 18.328 1.00 0.00 C ATOM 81 O LYS A 9 -3.402 6.929 17.694 1.00 0.00 O ATOM 82 CB LYS A 9 -3.159 7.909 20.808 1.00 0.00 C ATOM 83 CG LYS A 9 -3.132 8.898 21.961 1.00 0.00 C ATOM 84 CD LYS A 9 -3.482 8.227 23.279 1.00 0.00 C ATOM 85 CE LYS A 9 -4.112 9.210 24.254 1.00 0.00 C ATOM 86 NZ LYS A 9 -3.939 8.777 25.668 1.00 0.00 N ATOM 0 H LYS A 9 -5.429 7.592 19.589 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.265 9.586 19.468 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.855 7.105 21.046 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.173 7.457 20.705 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.142 9.348 22.032 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.836 9.706 21.765 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.170 7.402 23.097 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.582 7.800 23.722 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.663 10.194 24.118 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.174 9.311 24.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.382 9.473 26.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.389 7.849 25.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.925 8.705 25.888 1.00 0.00 H new ATOM 100 N LEU A 10 -1.606 8.232 18.069 1.00 0.00 N ATOM 101 CA LEU A 10 -0.812 7.633 17.002 1.00 0.00 C ATOM 102 C LEU A 10 0.666 7.601 17.376 1.00 0.00 C ATOM 103 O LEU A 10 1.088 8.246 18.336 1.00 0.00 O ATOM 104 CB LEU A 10 -1.004 8.410 15.699 1.00 0.00 C ATOM 105 CG LEU A 10 -2.428 8.883 15.403 1.00 0.00 C ATOM 106 CD1 LEU A 10 -2.413 10.020 14.392 1.00 0.00 C ATOM 107 CD2 LEU A 10 -3.280 7.729 14.898 1.00 0.00 C ATOM 0 H LEU A 10 -1.130 8.973 18.584 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.154 6.608 16.860 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.350 9.282 15.719 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.672 7.782 14.872 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.867 9.253 16.329 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.435 10.344 14.193 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.839 10.856 14.793 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.955 9.676 13.465 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.290 8.085 14.693 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.844 7.328 13.983 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.318 6.946 15.656 1.00 0.00 H new ATOM 119 N TYR A 11 1.448 6.849 16.610 1.00 0.00 N ATOM 120 CA TYR A 11 2.880 6.733 16.860 1.00 0.00 C ATOM 121 C TYR A 11 3.674 6.892 15.567 1.00 0.00 C ATOM 122 O TYR A 11 3.527 6.120 14.619 1.00 0.00 O ATOM 123 CB TYR A 11 3.199 5.383 17.505 1.00 0.00 C ATOM 124 CG TYR A 11 2.600 5.214 18.883 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.225 5.255 19.074 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.410 5.012 19.993 1.00 0.00 C ATOM 127 CE1 TYR A 11 0.674 5.101 20.331 1.00 0.00 C ATOM 128 CE2 TYR A 11 2.868 4.856 21.254 1.00 0.00 C ATOM 129 CZ TYR A 11 1.499 4.902 21.418 1.00 0.00 C ATOM 130 OH TYR A 11 0.954 4.747 22.672 1.00 0.00 O ATOM 0 H TYR A 11 1.115 6.310 15.811 1.00 0.00 H new ATOM 0 HA TYR A 11 3.169 7.532 17.543 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.833 4.585 16.859 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.281 5.268 17.572 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.576 5.410 18.225 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.482 4.976 19.868 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.397 5.136 20.462 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.512 4.699 22.106 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.023 4.804 22.614 1.00 0.00 H new ATOM 140 N PRO A 12 4.537 7.918 15.526 1.00 0.00 N ATOM 141 CA PRO A 12 5.373 8.203 14.356 1.00 0.00 C ATOM 142 C PRO A 12 6.460 7.153 14.150 1.00 0.00 C ATOM 143 O PRO A 12 7.111 6.724 15.103 1.00 0.00 O ATOM 144 CB PRO A 12 5.997 9.561 14.688 1.00 0.00 C ATOM 145 CG PRO A 12 5.991 9.626 16.177 1.00 0.00 C ATOM 146 CD PRO A 12 4.764 8.878 16.619 1.00 0.00 C ATOM 0 HA PRO A 12 4.795 8.199 13.432 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.010 9.639 14.292 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.421 10.378 14.254 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.893 9.175 16.591 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.964 10.659 16.522 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.923 8.372 17.571 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.912 9.545 16.751 1.00 0.00 H new ATOM 154 N CYS A 13 6.650 6.743 12.901 1.00 0.00 N ATOM 155 CA CYS A 13 7.658 5.743 12.569 1.00 0.00 C ATOM 156 C CYS A 13 8.847 6.384 11.860 1.00 0.00 C ATOM 157 O CYS A 13 8.752 7.503 11.357 1.00 0.00 O ATOM 158 CB CYS A 13 7.052 4.651 11.686 1.00 0.00 C ATOM 159 SG CYS A 13 8.187 3.274 11.321 1.00 0.00 S ATOM 0 H CYS A 13 6.119 7.088 12.101 1.00 0.00 H new ATOM 0 HA CYS A 13 8.010 5.296 13.499 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.163 4.254 12.176 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.726 5.098 10.747 1.00 0.00 H new ATOM 164 N GLN A 14 9.966 5.666 11.825 1.00 0.00 N ATOM 165 CA GLN A 14 11.173 6.165 11.178 1.00 0.00 C ATOM 166 C GLN A 14 10.879 6.620 9.752 1.00 0.00 C ATOM 167 O GLN A 14 11.354 7.667 9.313 1.00 0.00 O ATOM 168 CB GLN A 14 12.256 5.084 11.168 1.00 0.00 C ATOM 169 CG GLN A 14 13.650 5.622 10.890 1.00 0.00 C ATOM 170 CD GLN A 14 14.736 4.606 11.182 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.642 4.859 11.977 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.652 3.447 10.539 1.00 0.00 N ATOM 0 H GLN A 14 10.061 4.738 12.237 1.00 0.00 H new ATOM 0 HA GLN A 14 11.531 7.023 11.747 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.258 4.574 12.132 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.006 4.338 10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.716 5.928 9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.819 6.513 11.495 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.884 3.279 9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.355 2.725 10.696 1.00 0.00 H new ATOM 181 N CYS A 15 10.092 5.825 9.034 1.00 0.00 N ATOM 182 CA CYS A 15 9.735 6.145 7.657 1.00 0.00 C ATOM 183 C CYS A 15 8.877 7.406 7.597 1.00 0.00 C ATOM 184 O CYS A 15 8.920 8.152 6.620 1.00 0.00 O ATOM 185 CB CYS A 15 8.985 4.974 7.018 1.00 0.00 C ATOM 186 SG CYS A 15 7.447 4.517 7.880 1.00 0.00 S ATOM 0 H CYS A 15 9.690 4.955 9.383 1.00 0.00 H new ATOM 0 HA CYS A 15 10.655 6.326 7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.748 5.229 5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.644 4.106 6.989 1.00 0.00 H new ATOM 191 N GLY A 16 8.098 7.636 8.649 1.00 0.00 N ATOM 192 CA GLY A 16 7.241 8.807 8.696 1.00 0.00 C ATOM 193 C GLY A 16 5.789 8.453 8.946 1.00 0.00 C ATOM 194 O GLY A 16 4.998 9.299 9.363 1.00 0.00 O ATOM 0 H GLY A 16 8.045 7.033 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.589 9.477 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.322 9.351 7.755 1.00 0.00 H new ATOM 198 N LYS A 17 5.435 7.198 8.688 1.00 0.00 N ATOM 199 CA LYS A 17 4.067 6.733 8.887 1.00 0.00 C ATOM 200 C LYS A 17 3.657 6.857 10.351 1.00 0.00 C ATOM 201 O LYS A 17 4.478 7.178 11.210 1.00 0.00 O ATOM 202 CB LYS A 17 3.930 5.279 8.429 1.00 0.00 C ATOM 203 CG LYS A 17 3.916 5.116 6.919 1.00 0.00 C ATOM 204 CD LYS A 17 3.815 3.654 6.517 1.00 0.00 C ATOM 205 CE LYS A 17 3.509 3.503 5.035 1.00 0.00 C ATOM 206 NZ LYS A 17 4.744 3.566 4.204 1.00 0.00 N ATOM 0 H LYS A 17 6.076 6.485 8.341 1.00 0.00 H new ATOM 0 HA LYS A 17 3.406 7.360 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.755 4.698 8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.010 4.863 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.075 5.668 6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.823 5.549 6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.751 3.146 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.034 3.168 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.004 2.552 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.822 4.290 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.493 3.459 3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.213 4.483 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.390 2.800 4.483 1.00 0.00 H new ATOM 220 N SER A 18 2.383 6.599 10.628 1.00 0.00 N ATOM 221 CA SER A 18 1.864 6.683 11.988 1.00 0.00 C ATOM 222 C SER A 18 0.993 5.474 12.313 1.00 0.00 C ATOM 223 O SER A 18 0.051 5.159 11.586 1.00 0.00 O ATOM 224 CB SER A 18 1.057 7.971 12.169 1.00 0.00 C ATOM 225 OG SER A 18 -0.104 7.963 11.357 1.00 0.00 O ATOM 0 H SER A 18 1.691 6.330 9.929 1.00 0.00 H new ATOM 0 HA SER A 18 2.711 6.693 12.674 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.772 8.081 13.215 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.677 8.831 11.915 1.00 0.00 H new ATOM 0 HG SER A 18 -0.339 7.039 11.132 1.00 0.00 H new ATOM 231 N PHE A 19 1.315 4.799 13.412 1.00 0.00 N ATOM 232 CA PHE A 19 0.564 3.623 13.835 1.00 0.00 C ATOM 233 C PHE A 19 -0.256 3.923 15.087 1.00 0.00 C ATOM 234 O PHE A 19 0.096 4.798 15.879 1.00 0.00 O ATOM 235 CB PHE A 19 1.514 2.454 14.102 1.00 0.00 C ATOM 236 CG PHE A 19 2.325 2.055 12.902 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.412 2.816 12.501 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.002 0.920 12.177 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.159 2.452 11.397 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.746 0.551 11.072 1.00 0.00 C ATOM 241 CZ PHE A 19 3.827 1.317 10.682 1.00 0.00 C ATOM 0 H PHE A 19 2.091 5.047 14.026 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.119 3.350 13.031 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.189 2.723 14.914 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.934 1.595 14.441 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.678 3.703 13.057 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.159 0.316 12.479 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.002 3.054 11.093 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.482 -0.335 10.514 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.411 1.030 9.820 1.00 0.00 H new ATOM 251 N THR A 20 -1.352 3.190 15.259 1.00 0.00 N ATOM 252 CA THR A 20 -2.223 3.378 16.412 1.00 0.00 C ATOM 253 C THR A 20 -1.565 2.865 17.688 1.00 0.00 C ATOM 254 O THR A 20 -1.915 3.285 18.791 1.00 0.00 O ATOM 255 CB THR A 20 -3.572 2.659 16.219 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.231 3.160 15.051 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.467 2.852 17.434 1.00 0.00 C ATOM 0 H THR A 20 -1.657 2.461 14.614 1.00 0.00 H new ATOM 0 HA THR A 20 -2.400 4.450 16.503 1.00 0.00 H new ATOM 0 HB THR A 20 -3.377 1.594 16.097 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.087 2.697 14.934 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.413 2.336 17.274 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.975 2.444 18.317 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.655 3.915 17.583 1.00 0.00 H new ATOM 265 N HIS A 21 -0.609 1.955 17.530 1.00 0.00 N ATOM 266 CA HIS A 21 0.100 1.385 18.671 1.00 0.00 C ATOM 267 C HIS A 21 1.609 1.537 18.503 1.00 0.00 C ATOM 268 O HIS A 21 2.101 1.783 17.402 1.00 0.00 O ATOM 269 CB HIS A 21 -0.260 -0.091 18.836 1.00 0.00 C ATOM 270 CG HIS A 21 -1.571 -0.314 19.527 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.984 0.427 20.614 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.563 -1.201 19.279 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.173 0.005 21.005 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.547 -0.982 20.211 1.00 0.00 N ATOM 0 H HIS A 21 -0.307 1.597 16.624 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.205 1.928 19.566 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.292 -0.561 17.853 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.529 -0.588 19.401 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.578 -1.943 18.494 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.743 0.400 21.833 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.424 -1.498 20.279 1.00 0.00 H new ATOM 282 N LYS A 22 2.339 1.390 19.604 1.00 0.00 N ATOM 283 CA LYS A 22 3.792 1.510 19.580 1.00 0.00 C ATOM 284 C LYS A 22 4.434 0.239 19.033 1.00 0.00 C ATOM 285 O LYS A 22 5.396 0.298 18.268 1.00 0.00 O ATOM 286 CB LYS A 22 4.323 1.798 20.986 1.00 0.00 C ATOM 287 CG LYS A 22 3.460 1.219 22.093 1.00 0.00 C ATOM 288 CD LYS A 22 2.416 2.217 22.567 1.00 0.00 C ATOM 289 CE LYS A 22 1.465 1.592 23.576 1.00 0.00 C ATOM 290 NZ LYS A 22 0.536 2.599 24.159 1.00 0.00 N ATOM 0 H LYS A 22 1.948 1.188 20.524 1.00 0.00 H new ATOM 0 HA LYS A 22 4.053 2.339 18.922 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.331 1.394 21.074 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.399 2.877 21.123 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.965 0.316 21.735 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.091 0.926 22.932 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.911 3.077 23.017 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.850 2.586 21.712 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.889 0.803 23.092 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.040 1.123 24.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.793 2.775 25.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.604 3.487 23.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.439 2.240 24.112 1.00 0.00 H new ATOM 304 N SER A 23 3.895 -0.909 19.430 1.00 0.00 N ATOM 305 CA SER A 23 4.417 -2.194 18.981 1.00 0.00 C ATOM 306 C SER A 23 4.351 -2.306 17.461 1.00 0.00 C ATOM 307 O SER A 23 5.194 -2.953 16.839 1.00 0.00 O ATOM 308 CB SER A 23 3.632 -3.340 19.623 1.00 0.00 C ATOM 309 OG SER A 23 3.891 -3.420 21.013 1.00 0.00 O ATOM 0 H SER A 23 3.097 -0.975 20.062 1.00 0.00 H new ATOM 0 HA SER A 23 5.461 -2.262 19.288 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.565 -3.192 19.457 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.901 -4.282 19.145 1.00 0.00 H new ATOM 0 HG SER A 23 3.376 -4.159 21.400 1.00 0.00 H new ATOM 315 N GLN A 24 3.344 -1.672 16.870 1.00 0.00 N ATOM 316 CA GLN A 24 3.167 -1.701 15.423 1.00 0.00 C ATOM 317 C GLN A 24 4.180 -0.793 14.733 1.00 0.00 C ATOM 318 O GLN A 24 4.675 -1.109 13.651 1.00 0.00 O ATOM 319 CB GLN A 24 1.746 -1.273 15.053 1.00 0.00 C ATOM 320 CG GLN A 24 0.742 -2.414 15.075 1.00 0.00 C ATOM 321 CD GLN A 24 0.886 -3.341 13.884 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.268 -2.915 12.794 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.579 -4.617 14.086 1.00 0.00 N ATOM 0 H GLN A 24 2.638 -1.132 17.371 1.00 0.00 H new ATOM 0 HA GLN A 24 3.331 -2.723 15.082 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.417 -0.497 15.745 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.757 -0.829 14.058 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.869 -2.987 15.994 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.268 -2.004 15.092 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.266 -4.927 15.006 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.656 -5.287 13.321 1.00 0.00 H new ATOM 332 N ARG A 25 4.483 0.335 15.365 1.00 0.00 N ATOM 333 CA ARG A 25 5.436 1.289 14.811 1.00 0.00 C ATOM 334 C ARG A 25 6.867 0.787 14.977 1.00 0.00 C ATOM 335 O ARG A 25 7.738 1.082 14.158 1.00 0.00 O ATOM 336 CB ARG A 25 5.280 2.651 15.490 1.00 0.00 C ATOM 337 CG ARG A 25 6.365 3.647 15.113 1.00 0.00 C ATOM 338 CD ARG A 25 7.549 3.568 16.064 1.00 0.00 C ATOM 339 NE ARG A 25 7.140 3.702 17.460 1.00 0.00 N ATOM 340 CZ ARG A 25 7.964 3.528 18.487 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.235 3.215 18.276 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.517 3.667 19.729 1.00 0.00 N ATOM 0 H ARG A 25 4.082 0.611 16.261 1.00 0.00 H new ATOM 0 HA ARG A 25 5.228 1.395 13.746 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.308 3.069 15.228 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.286 2.512 16.571 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.701 3.452 14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.954 4.656 15.125 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.062 2.616 15.926 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.264 4.353 15.819 1.00 0.00 H new ATOM 0 HE ARG A 25 6.168 3.942 17.657 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.582 3.107 17.323 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.866 3.082 19.067 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.540 3.908 19.895 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.151 3.533 20.517 1.00 0.00 H new ATOM 356 N ASP A 26 7.103 0.028 16.042 1.00 0.00 N ATOM 357 CA ASP A 26 8.428 -0.515 16.315 1.00 0.00 C ATOM 358 C ASP A 26 8.808 -1.568 15.278 1.00 0.00 C ATOM 359 O ASP A 26 9.884 -1.506 14.682 1.00 0.00 O ATOM 360 CB ASP A 26 8.474 -1.124 17.718 1.00 0.00 C ATOM 361 CG ASP A 26 9.878 -1.157 18.289 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.442 -0.072 18.538 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.412 -2.269 18.486 1.00 0.00 O ATOM 0 H ASP A 26 6.394 -0.225 16.730 1.00 0.00 H new ATOM 0 HA ASP A 26 9.147 0.302 16.258 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.828 -0.549 18.382 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.075 -2.138 17.684 1.00 0.00 H new ATOM 368 N ARG A 27 7.919 -2.533 15.069 1.00 0.00 N ATOM 369 CA ARG A 27 8.162 -3.600 14.106 1.00 0.00 C ATOM 370 C ARG A 27 8.468 -3.027 12.725 1.00 0.00 C ATOM 371 O ARG A 27 9.212 -3.623 11.945 1.00 0.00 O ATOM 372 CB ARG A 27 6.951 -4.531 14.027 1.00 0.00 C ATOM 373 CG ARG A 27 5.742 -3.901 13.354 1.00 0.00 C ATOM 374 CD ARG A 27 4.761 -4.958 12.870 1.00 0.00 C ATOM 375 NE ARG A 27 3.831 -5.363 13.921 1.00 0.00 N ATOM 376 CZ ARG A 27 4.100 -6.307 14.816 1.00 0.00 C ATOM 377 NH1 ARG A 27 5.265 -6.940 14.788 1.00 0.00 N ATOM 378 NH2 ARG A 27 3.202 -6.620 15.742 1.00 0.00 N ATOM 0 H ARG A 27 7.024 -2.598 15.554 1.00 0.00 H new ATOM 0 HA ARG A 27 9.028 -4.170 14.444 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.231 -5.432 13.482 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.675 -4.841 15.035 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.242 -3.232 14.054 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.069 -3.293 12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.200 -4.570 12.019 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.312 -5.830 12.518 1.00 0.00 H new ATOM 0 HE ARG A 27 2.926 -4.896 13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.958 -6.702 14.078 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.469 -7.664 15.477 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.305 -6.136 15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.409 -7.345 16.429 1.00 0.00 H new ATOM 392 N HIS A 28 7.889 -1.868 12.430 1.00 0.00 N ATOM 393 CA HIS A 28 8.100 -1.214 11.143 1.00 0.00 C ATOM 394 C HIS A 28 9.416 -0.441 11.135 1.00 0.00 C ATOM 395 O HIS A 28 9.903 -0.037 10.080 1.00 0.00 O ATOM 396 CB HIS A 28 6.939 -0.270 10.831 1.00 0.00 C ATOM 397 CG HIS A 28 6.723 -0.050 9.365 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.818 1.189 8.767 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.417 -0.921 8.375 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.578 1.071 7.474 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.332 -0.200 7.210 1.00 0.00 N ATOM 0 H HIS A 28 7.270 -1.362 13.064 1.00 0.00 H new ATOM 0 HA HIS A 28 8.148 -1.986 10.375 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.026 -0.674 11.268 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.124 0.691 11.311 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.268 -1.985 8.482 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.582 1.876 6.755 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.114 -0.583 6.290 1.00 0.00 H new ATOM 409 N MET A 29 9.985 -0.239 12.319 1.00 0.00 N ATOM 410 CA MET A 29 11.244 0.485 12.448 1.00 0.00 C ATOM 411 C MET A 29 12.431 -0.444 12.215 1.00 0.00 C ATOM 412 O MET A 29 13.377 -0.094 11.509 1.00 0.00 O ATOM 413 CB MET A 29 11.348 1.129 13.832 1.00 0.00 C ATOM 414 CG MET A 29 10.850 2.564 13.873 1.00 0.00 C ATOM 415 SD MET A 29 11.618 3.528 15.189 1.00 0.00 S ATOM 416 CE MET A 29 13.301 3.643 14.586 1.00 0.00 C ATOM 0 H MET A 29 9.594 -0.566 13.202 1.00 0.00 H new ATOM 0 HA MET A 29 11.264 1.268 11.690 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.776 0.534 14.544 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.388 1.104 14.158 1.00 0.00 H new ATOM 0 HG2 MET A 29 11.050 3.042 12.914 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.769 2.566 14.010 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.974 3.157 15.292 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.375 3.150 13.616 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.579 4.692 14.482 1.00 0.00 H new ATOM 426 N SER A 30 12.376 -1.629 12.815 1.00 0.00 N ATOM 427 CA SER A 30 13.449 -2.607 12.676 1.00 0.00 C ATOM 428 C SER A 30 13.518 -3.139 11.248 1.00 0.00 C ATOM 429 O SER A 30 14.601 -3.326 10.696 1.00 0.00 O ATOM 430 CB SER A 30 13.243 -3.764 13.655 1.00 0.00 C ATOM 431 OG SER A 30 13.185 -3.297 14.992 1.00 0.00 O ATOM 0 H SER A 30 11.600 -1.935 13.402 1.00 0.00 H new ATOM 0 HA SER A 30 14.392 -2.110 12.905 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.321 -4.292 13.410 1.00 0.00 H new ATOM 0 HB3 SER A 30 14.057 -4.481 13.552 1.00 0.00 H new ATOM 0 HG SER A 30 13.051 -4.056 15.598 1.00 0.00 H new ATOM 437 N MET A 31 12.352 -3.382 10.658 1.00 0.00 N ATOM 438 CA MET A 31 12.279 -3.893 9.294 1.00 0.00 C ATOM 439 C MET A 31 13.011 -2.967 8.327 1.00 0.00 C ATOM 440 O MET A 31 13.574 -3.416 7.328 1.00 0.00 O ATOM 441 CB MET A 31 10.820 -4.049 8.862 1.00 0.00 C ATOM 442 CG MET A 31 10.059 -2.734 8.805 1.00 0.00 C ATOM 443 SD MET A 31 10.430 -1.780 7.321 1.00 0.00 S ATOM 444 CE MET A 31 9.174 -2.394 6.201 1.00 0.00 C ATOM 0 H MET A 31 11.446 -3.234 11.102 1.00 0.00 H new ATOM 0 HA MET A 31 12.763 -4.869 9.272 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.789 -4.520 7.880 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.315 -4.722 9.554 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.989 -2.936 8.844 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.303 -2.139 9.685 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.598 -2.501 5.202 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.818 -3.364 6.550 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.341 -1.692 6.169 1.00 0.00 H new ATOM 454 N HIS A 32 12.999 -1.673 8.630 1.00 0.00 N ATOM 455 CA HIS A 32 13.662 -0.684 7.787 1.00 0.00 C ATOM 456 C HIS A 32 15.145 -1.006 7.636 1.00 0.00 C ATOM 457 O HIS A 32 15.665 -1.077 6.521 1.00 0.00 O ATOM 458 CB HIS A 32 13.490 0.717 8.376 1.00 0.00 C ATOM 459 CG HIS A 32 12.097 1.251 8.254 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.287 0.999 7.167 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.370 2.028 9.090 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.122 1.599 7.339 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.147 2.230 8.499 1.00 0.00 N ATOM 0 H HIS A 32 12.538 -1.285 9.453 1.00 0.00 H new ATOM 0 HA HIS A 32 13.199 -0.715 6.801 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.771 0.697 9.429 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.177 1.399 7.876 1.00 0.00 H new ATOM 0 HD1 HIS A 32 11.546 0.437 6.356 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.692 2.417 10.045 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.292 1.577 6.649 1.00 0.00 H new ATOM 471 N LEU A 33 15.822 -1.201 8.762 1.00 0.00 N ATOM 472 CA LEU A 33 17.246 -1.516 8.755 1.00 0.00 C ATOM 473 C LEU A 33 17.506 -2.848 8.060 1.00 0.00 C ATOM 474 O LEU A 33 18.421 -2.968 7.247 1.00 0.00 O ATOM 475 CB LEU A 33 17.786 -1.560 10.186 1.00 0.00 C ATOM 476 CG LEU A 33 17.390 -0.391 11.089 1.00 0.00 C ATOM 477 CD1 LEU A 33 17.625 -0.743 12.550 1.00 0.00 C ATOM 478 CD2 LEU A 33 18.164 0.862 10.709 1.00 0.00 C ATOM 0 H LEU A 33 15.407 -1.146 9.692 1.00 0.00 H new ATOM 0 HA LEU A 33 17.763 -0.732 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.447 -2.485 10.653 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.874 -1.606 10.141 1.00 0.00 H new ATOM 0 HG LEU A 33 16.327 -0.193 10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.338 0.100 13.178 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.026 -1.614 12.815 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.680 -0.968 12.705 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.869 1.684 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.233 0.677 10.818 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.945 1.125 9.674 1.00 0.00 H new ATOM 490 N GLY A 34 16.692 -3.848 8.384 1.00 0.00 N ATOM 491 CA GLY A 34 16.849 -5.158 7.780 1.00 0.00 C ATOM 492 C GLY A 34 17.857 -6.018 8.516 1.00 0.00 C ATOM 493 O GLY A 34 19.066 -5.818 8.387 1.00 0.00 O ATOM 0 H GLY A 34 15.927 -3.774 9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.885 -5.666 7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.164 -5.041 6.743 1.00 0.00 H new ATOM 497 N LEU A 35 17.361 -6.978 9.290 1.00 0.00 N ATOM 498 CA LEU A 35 18.228 -7.871 10.050 1.00 0.00 C ATOM 499 C LEU A 35 17.646 -9.281 10.101 1.00 0.00 C ATOM 500 O LEU A 35 16.560 -9.495 10.639 1.00 0.00 O ATOM 501 CB LEU A 35 18.424 -7.337 11.470 1.00 0.00 C ATOM 502 CG LEU A 35 19.379 -6.151 11.614 1.00 0.00 C ATOM 503 CD1 LEU A 35 18.711 -4.867 11.149 1.00 0.00 C ATOM 504 CD2 LEU A 35 19.850 -6.018 13.056 1.00 0.00 C ATOM 0 H LEU A 35 16.364 -7.157 9.407 1.00 0.00 H new ATOM 0 HA LEU A 35 19.194 -7.914 9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 35 17.451 -7.044 11.864 1.00 0.00 H new ATOM 0 HB3 LEU A 35 18.790 -8.151 12.096 1.00 0.00 H new ATOM 0 HG LEU A 35 20.249 -6.332 10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.406 -4.035 11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 35 18.425 -4.964 10.102 1.00 0.00 H new ATOM 0 HD13 LEU A 35 17.823 -4.680 11.752 1.00 0.00 H new ATOM 0 HD21 LEU A 35 20.529 -5.169 13.140 1.00 0.00 H new ATOM 0 HD22 LEU A 35 18.990 -5.861 13.707 1.00 0.00 H new ATOM 0 HD23 LEU A 35 20.369 -6.929 13.355 1.00 0.00 H new ATOM 516 N ARG A 36 18.378 -10.237 9.540 1.00 0.00 N ATOM 517 CA ARG A 36 17.935 -11.627 9.522 1.00 0.00 C ATOM 518 C ARG A 36 19.126 -12.578 9.604 1.00 0.00 C ATOM 519 O ARG A 36 20.040 -12.540 8.780 1.00 0.00 O ATOM 520 CB ARG A 36 17.128 -11.911 8.254 1.00 0.00 C ATOM 521 CG ARG A 36 15.810 -11.157 8.190 1.00 0.00 C ATOM 522 CD ARG A 36 15.967 -9.818 7.487 1.00 0.00 C ATOM 523 NE ARG A 36 14.729 -9.387 6.845 1.00 0.00 N ATOM 524 CZ ARG A 36 13.766 -8.723 7.474 1.00 0.00 C ATOM 525 NH1 ARG A 36 13.899 -8.414 8.757 1.00 0.00 N ATOM 526 NH2 ARG A 36 12.668 -8.366 6.821 1.00 0.00 N ATOM 0 H ARG A 36 19.280 -10.076 9.092 1.00 0.00 H new ATOM 0 HA ARG A 36 17.300 -11.791 10.393 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.730 -11.648 7.384 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.928 -12.981 8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 36 15.070 -11.760 7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.432 -10.997 9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.282 -9.065 8.209 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.756 -9.892 6.739 1.00 0.00 H new ATOM 0 HE ARG A 36 14.596 -9.608 5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.742 -8.686 9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.158 -7.904 9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.562 -8.601 5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.929 -7.856 7.306 1.00 0.00 H new ATOM 540 N PRO A 37 19.117 -13.451 10.622 1.00 0.00 N ATOM 541 CA PRO A 37 20.188 -14.429 10.835 1.00 0.00 C ATOM 542 C PRO A 37 20.199 -15.520 9.770 1.00 0.00 C ATOM 543 O PRO A 37 21.194 -16.223 9.598 1.00 0.00 O ATOM 544 CB PRO A 37 19.857 -15.024 12.206 1.00 0.00 C ATOM 545 CG PRO A 37 18.387 -14.834 12.357 1.00 0.00 C ATOM 546 CD PRO A 37 18.059 -13.553 11.641 1.00 0.00 C ATOM 0 HA PRO A 37 21.175 -13.970 10.781 1.00 0.00 H new ATOM 0 HB2 PRO A 37 20.127 -16.079 12.255 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.405 -14.517 13.000 1.00 0.00 H new ATOM 0 HG2 PRO A 37 17.839 -15.673 11.927 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.107 -14.776 13.409 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.068 -13.588 11.189 1.00 0.00 H new ATOM 0 HD3 PRO A 37 18.070 -12.700 12.319 1.00 0.00 H new ATOM 554 N TYR A 38 19.086 -15.655 9.058 1.00 0.00 N ATOM 555 CA TYR A 38 18.966 -16.662 8.010 1.00 0.00 C ATOM 556 C TYR A 38 19.166 -16.040 6.631 1.00 0.00 C ATOM 557 O TYR A 38 18.381 -15.197 6.199 1.00 0.00 O ATOM 558 CB TYR A 38 17.599 -17.344 8.082 1.00 0.00 C ATOM 559 CG TYR A 38 17.314 -17.991 9.418 1.00 0.00 C ATOM 560 CD1 TYR A 38 17.681 -19.308 9.667 1.00 0.00 C ATOM 561 CD2 TYR A 38 16.680 -17.285 10.433 1.00 0.00 C ATOM 562 CE1 TYR A 38 17.422 -19.903 10.886 1.00 0.00 C ATOM 563 CE2 TYR A 38 16.418 -17.872 11.656 1.00 0.00 C ATOM 564 CZ TYR A 38 16.791 -19.181 11.877 1.00 0.00 C ATOM 565 OH TYR A 38 16.532 -19.770 13.094 1.00 0.00 O ATOM 0 H TYR A 38 18.254 -15.080 9.187 1.00 0.00 H new ATOM 0 HA TYR A 38 19.745 -17.408 8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 38 16.824 -16.607 7.872 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.539 -18.102 7.301 1.00 0.00 H new ATOM 0 HD1 TYR A 38 18.177 -19.876 8.894 1.00 0.00 H new ATOM 0 HD2 TYR A 38 16.387 -16.260 10.263 1.00 0.00 H new ATOM 0 HE1 TYR A 38 17.712 -20.928 11.062 1.00 0.00 H new ATOM 0 HE2 TYR A 38 15.924 -17.309 12.434 1.00 0.00 H new ATOM 0 HH TYR A 38 16.084 -19.125 13.681 1.00 0.00 H new ATOM 575 N GLY A 39 20.222 -16.464 5.945 1.00 0.00 N ATOM 576 CA GLY A 39 20.507 -15.940 4.622 1.00 0.00 C ATOM 577 C GLY A 39 20.679 -17.035 3.588 1.00 0.00 C ATOM 578 O GLY A 39 21.449 -17.975 3.791 1.00 0.00 O ATOM 0 H GLY A 39 20.886 -17.161 6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 39 19.697 -15.279 4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 39 21.414 -15.336 4.661 1.00 0.00 H new ATOM 582 N CYS A 40 19.960 -16.917 2.477 1.00 0.00 N ATOM 583 CA CYS A 40 20.035 -17.906 1.409 1.00 0.00 C ATOM 584 C CYS A 40 21.291 -17.703 0.567 1.00 0.00 C ATOM 585 O CYS A 40 21.367 -16.778 -0.242 1.00 0.00 O ATOM 586 CB CYS A 40 18.793 -17.821 0.520 1.00 0.00 C ATOM 587 SG CYS A 40 18.831 -18.937 -0.920 1.00 0.00 S ATOM 0 H CYS A 40 19.318 -16.146 2.293 1.00 0.00 H new ATOM 0 HA CYS A 40 20.081 -18.895 1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 40 17.913 -18.050 1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 40 18.680 -16.795 0.168 1.00 0.00 H new ATOM 592 N GLY A 41 22.276 -18.575 0.763 1.00 0.00 N ATOM 593 CA GLY A 41 23.516 -18.474 0.015 1.00 0.00 C ATOM 594 C GLY A 41 23.401 -19.059 -1.379 1.00 0.00 C ATOM 595 O GLY A 41 24.338 -19.682 -1.878 1.00 0.00 O ATOM 0 H GLY A 41 22.237 -19.349 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 41 23.809 -17.427 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 41 24.308 -18.990 0.558 1.00 0.00 H new ATOM 599 N VAL A 42 22.247 -18.860 -2.009 1.00 0.00 N ATOM 600 CA VAL A 42 22.013 -19.372 -3.354 1.00 0.00 C ATOM 601 C VAL A 42 21.499 -18.274 -4.279 1.00 0.00 C ATOM 602 O VAL A 42 21.955 -18.140 -5.415 1.00 0.00 O ATOM 603 CB VAL A 42 21.001 -20.534 -3.343 1.00 0.00 C ATOM 604 CG1 VAL A 42 20.826 -21.102 -4.743 1.00 0.00 C ATOM 605 CG2 VAL A 42 21.444 -21.616 -2.370 1.00 0.00 C ATOM 0 H VAL A 42 21.460 -18.348 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 42 22.971 -19.736 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 42 20.036 -20.151 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 42 20.108 -21.922 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 42 20.460 -20.321 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 42 21.784 -21.471 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.718 -22.429 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.419 -21.999 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.513 -21.197 -1.366 1.00 0.00 H new ATOM 615 N CYS A 43 20.548 -17.489 -3.785 1.00 0.00 N ATOM 616 CA CYS A 43 19.971 -16.402 -4.566 1.00 0.00 C ATOM 617 C CYS A 43 20.293 -15.049 -3.936 1.00 0.00 C ATOM 618 O CYS A 43 20.532 -14.067 -4.637 1.00 0.00 O ATOM 619 CB CYS A 43 18.455 -16.576 -4.679 1.00 0.00 C ATOM 620 SG CYS A 43 17.549 -16.228 -3.138 1.00 0.00 S ATOM 0 H CYS A 43 20.160 -17.586 -2.846 1.00 0.00 H new ATOM 0 HA CYS A 43 20.409 -16.432 -5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 43 18.082 -15.918 -5.464 1.00 0.00 H new ATOM 0 HB3 CYS A 43 18.240 -17.598 -4.991 1.00 0.00 H new ATOM 625 N GLY A 44 20.296 -15.008 -2.607 1.00 0.00 N ATOM 626 CA GLY A 44 20.590 -13.772 -1.904 1.00 0.00 C ATOM 627 C GLY A 44 19.417 -13.282 -1.078 1.00 0.00 C ATOM 628 O GLY A 44 19.244 -12.078 -0.885 1.00 0.00 O ATOM 0 H GLY A 44 20.100 -15.808 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.451 -13.924 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 44 20.868 -13.004 -2.626 1.00 0.00 H new ATOM 632 N LYS A 45 18.608 -14.216 -0.590 1.00 0.00 N ATOM 633 CA LYS A 45 17.445 -13.874 0.220 1.00 0.00 C ATOM 634 C LYS A 45 17.764 -13.990 1.707 1.00 0.00 C ATOM 635 O LYS A 45 18.882 -14.337 2.087 1.00 0.00 O ATOM 636 CB LYS A 45 16.267 -14.785 -0.133 1.00 0.00 C ATOM 637 CG LYS A 45 15.394 -14.245 -1.253 1.00 0.00 C ATOM 638 CD LYS A 45 13.990 -14.822 -1.193 1.00 0.00 C ATOM 639 CE LYS A 45 12.999 -13.957 -1.958 1.00 0.00 C ATOM 640 NZ LYS A 45 13.264 -13.975 -3.423 1.00 0.00 N ATOM 0 H LYS A 45 18.737 -15.216 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 45 17.174 -12.840 0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.650 -15.764 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.653 -14.932 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.345 -13.158 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 45 15.846 -14.484 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.991 -15.830 -1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.674 -14.906 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.986 -14.311 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.053 -12.932 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.568 -13.374 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.222 -13.614 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.187 -14.950 -3.778 1.00 0.00 H new ATOM 654 N LYS A 46 16.774 -13.699 2.544 1.00 0.00 N ATOM 655 CA LYS A 46 16.947 -13.774 3.990 1.00 0.00 C ATOM 656 C LYS A 46 15.602 -13.929 4.692 1.00 0.00 C ATOM 657 O LYS A 46 14.561 -13.552 4.152 1.00 0.00 O ATOM 658 CB LYS A 46 17.661 -12.521 4.504 1.00 0.00 C ATOM 659 CG LYS A 46 19.037 -12.313 3.896 1.00 0.00 C ATOM 660 CD LYS A 46 19.803 -11.214 4.613 1.00 0.00 C ATOM 661 CE LYS A 46 20.800 -10.534 3.688 1.00 0.00 C ATOM 662 NZ LYS A 46 20.188 -9.393 2.954 1.00 0.00 N ATOM 0 H LYS A 46 15.843 -13.409 2.246 1.00 0.00 H new ATOM 0 HA LYS A 46 17.556 -14.650 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.043 -11.648 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.758 -12.587 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.602 -13.244 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.935 -12.058 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.102 -10.475 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.329 -11.635 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.650 -10.177 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.186 -11.261 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.900 -8.957 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.393 -9.737 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.843 -8.687 3.635 1.00 0.00 H new ATOM 676 N PHE A 47 15.630 -14.486 5.898 1.00 0.00 N ATOM 677 CA PHE A 47 14.413 -14.690 6.674 1.00 0.00 C ATOM 678 C PHE A 47 14.688 -14.540 8.168 1.00 0.00 C ATOM 679 O PHE A 47 15.792 -14.814 8.639 1.00 0.00 O ATOM 680 CB PHE A 47 13.827 -16.075 6.389 1.00 0.00 C ATOM 681 CG PHE A 47 13.702 -16.383 4.924 1.00 0.00 C ATOM 682 CD1 PHE A 47 14.828 -16.466 4.122 1.00 0.00 C ATOM 683 CD2 PHE A 47 12.458 -16.589 4.350 1.00 0.00 C ATOM 684 CE1 PHE A 47 14.716 -16.748 2.774 1.00 0.00 C ATOM 685 CE2 PHE A 47 12.339 -16.872 3.003 1.00 0.00 C ATOM 686 CZ PHE A 47 13.470 -16.953 2.213 1.00 0.00 C ATOM 0 H PHE A 47 16.482 -14.804 6.359 1.00 0.00 H new ATOM 0 HA PHE A 47 13.691 -13.929 6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 47 14.457 -16.831 6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 47 12.843 -16.147 6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 47 15.805 -16.309 4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.571 -16.528 4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 47 15.602 -16.808 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.363 -17.030 2.568 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.380 -17.176 1.160 1.00 0.00 H new ATOM 696 N LYS A 48 13.676 -14.101 8.908 1.00 0.00 N ATOM 697 CA LYS A 48 13.805 -13.913 10.348 1.00 0.00 C ATOM 698 C LYS A 48 13.703 -15.247 11.082 1.00 0.00 C ATOM 699 O LYS A 48 14.456 -15.509 12.019 1.00 0.00 O ATOM 700 CB LYS A 48 12.727 -12.955 10.858 1.00 0.00 C ATOM 701 CG LYS A 48 12.515 -11.746 9.963 1.00 0.00 C ATOM 702 CD LYS A 48 12.036 -10.542 10.756 1.00 0.00 C ATOM 703 CE LYS A 48 13.156 -9.946 11.595 1.00 0.00 C ATOM 704 NZ LYS A 48 12.630 -9.089 12.694 1.00 0.00 N ATOM 0 H LYS A 48 12.756 -13.868 8.534 1.00 0.00 H new ATOM 0 HA LYS A 48 14.787 -13.483 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.786 -13.497 10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.999 -12.614 11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.448 -11.500 9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.785 -11.988 9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.649 -9.786 10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.211 -10.837 11.405 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.760 -10.749 12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.813 -9.355 10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.424 -8.702 13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.075 -8.308 12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.023 -9.658 13.318 1.00 0.00 H new ATOM 718 N MET A 49 12.768 -16.086 10.648 1.00 0.00 N ATOM 719 CA MET A 49 12.571 -17.393 11.263 1.00 0.00 C ATOM 720 C MET A 49 13.324 -18.475 10.494 1.00 0.00 C ATOM 721 O MET A 49 13.758 -18.258 9.363 1.00 0.00 O ATOM 722 CB MET A 49 11.080 -17.735 11.318 1.00 0.00 C ATOM 723 CG MET A 49 10.210 -16.582 11.791 1.00 0.00 C ATOM 724 SD MET A 49 10.105 -16.484 13.589 1.00 0.00 S ATOM 725 CE MET A 49 9.537 -14.799 13.803 1.00 0.00 C ATOM 0 H MET A 49 12.136 -15.884 9.874 1.00 0.00 H new ATOM 0 HA MET A 49 12.965 -17.352 12.278 1.00 0.00 H new ATOM 0 HB2 MET A 49 10.750 -18.046 10.327 1.00 0.00 H new ATOM 0 HB3 MET A 49 10.935 -18.586 11.984 1.00 0.00 H new ATOM 0 HG2 MET A 49 10.611 -15.646 11.403 1.00 0.00 H new ATOM 0 HG3 MET A 49 9.208 -16.695 11.378 1.00 0.00 H new ATOM 0 HE1 MET A 49 9.423 -14.586 14.866 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.265 -14.112 13.371 1.00 0.00 H new ATOM 0 HE3 MET A 49 8.577 -14.672 13.303 1.00 0.00 H new ATOM 735 N LYS A 50 13.475 -19.639 11.116 1.00 0.00 N ATOM 736 CA LYS A 50 14.175 -20.755 10.491 1.00 0.00 C ATOM 737 C LYS A 50 13.277 -21.463 9.480 1.00 0.00 C ATOM 738 O LYS A 50 13.691 -21.737 8.353 1.00 0.00 O ATOM 739 CB LYS A 50 14.645 -21.750 11.555 1.00 0.00 C ATOM 740 CG LYS A 50 13.724 -21.831 12.760 1.00 0.00 C ATOM 741 CD LYS A 50 13.714 -23.227 13.361 1.00 0.00 C ATOM 742 CE LYS A 50 14.881 -23.433 14.313 1.00 0.00 C ATOM 743 NZ LYS A 50 14.690 -22.696 15.593 1.00 0.00 N ATOM 0 H LYS A 50 13.122 -19.834 12.053 1.00 0.00 H new ATOM 0 HA LYS A 50 15.043 -20.358 9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.728 -22.739 11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.643 -21.467 11.889 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.045 -21.112 13.513 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.712 -21.554 12.465 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.776 -23.388 13.893 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.759 -23.968 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.997 -24.497 14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.802 -23.099 13.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.350 -23.065 16.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.874 -21.684 15.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.713 -22.824 15.925 1.00 0.00 H new ATOM 757 N HIS A 51 12.047 -21.754 9.890 1.00 0.00 N ATOM 758 CA HIS A 51 11.091 -22.428 9.019 1.00 0.00 C ATOM 759 C HIS A 51 10.593 -21.486 7.927 1.00 0.00 C ATOM 760 O HIS A 51 9.818 -21.883 7.056 1.00 0.00 O ATOM 761 CB HIS A 51 9.908 -22.953 9.834 1.00 0.00 C ATOM 762 CG HIS A 51 9.672 -22.193 11.104 1.00 0.00 C ATOM 763 ND1 HIS A 51 9.467 -20.830 11.138 1.00 0.00 N ATOM 764 CD2 HIS A 51 9.606 -22.615 12.388 1.00 0.00 C ATOM 765 CE1 HIS A 51 9.288 -20.446 12.389 1.00 0.00 C ATOM 766 NE2 HIS A 51 9.367 -21.510 13.168 1.00 0.00 N ATOM 0 H HIS A 51 11.689 -21.534 10.819 1.00 0.00 H new ATOM 0 HA HIS A 51 11.598 -23.269 8.546 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.007 -22.910 9.221 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.080 -24.002 10.074 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.720 -23.631 12.735 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.108 -19.434 12.719 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.267 -21.511 14.183 1.00 0.00 H new ATOM 774 N HIS A 52 11.042 -20.236 7.981 1.00 0.00 N ATOM 775 CA HIS A 52 10.642 -19.237 6.996 1.00 0.00 C ATOM 776 C HIS A 52 11.566 -19.271 5.782 1.00 0.00 C ATOM 777 O HIS A 52 11.186 -18.849 4.688 1.00 0.00 O ATOM 778 CB HIS A 52 10.653 -17.842 7.621 1.00 0.00 C ATOM 779 CG HIS A 52 9.407 -17.518 8.385 1.00 0.00 C ATOM 780 ND1 HIS A 52 9.098 -16.246 8.817 1.00 0.00 N ATOM 781 CD2 HIS A 52 8.387 -18.310 8.793 1.00 0.00 C ATOM 782 CE1 HIS A 52 7.943 -16.269 9.459 1.00 0.00 C ATOM 783 NE2 HIS A 52 7.491 -17.510 9.458 1.00 0.00 N ATOM 0 H HIS A 52 11.683 -19.891 8.696 1.00 0.00 H new ATOM 0 HA HIS A 52 9.630 -19.472 6.667 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.511 -17.759 8.289 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.789 -17.101 6.833 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.295 -19.373 8.626 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.452 -15.418 9.908 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.618 -17.823 9.882 1.00 0.00 H new ATOM 791 N LEU A 53 12.779 -19.774 5.981 1.00 0.00 N ATOM 792 CA LEU A 53 13.757 -19.863 4.903 1.00 0.00 C ATOM 793 C LEU A 53 13.607 -21.173 4.137 1.00 0.00 C ATOM 794 O LEU A 53 13.680 -21.199 2.908 1.00 0.00 O ATOM 795 CB LEU A 53 15.176 -19.746 5.464 1.00 0.00 C ATOM 796 CG LEU A 53 16.311 -20.053 4.486 1.00 0.00 C ATOM 797 CD1 LEU A 53 16.349 -19.019 3.371 1.00 0.00 C ATOM 798 CD2 LEU A 53 17.645 -20.100 5.217 1.00 0.00 C ATOM 0 H LEU A 53 13.109 -20.127 6.879 1.00 0.00 H new ATOM 0 HA LEU A 53 13.576 -19.038 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.313 -18.733 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.265 -20.420 6.316 1.00 0.00 H new ATOM 0 HG LEU A 53 16.128 -21.031 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.163 -19.254 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.403 -19.032 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.509 -18.029 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.442 -20.320 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.835 -19.136 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.615 -20.878 5.980 1.00 0.00 H new ATOM 810 N VAL A 54 13.394 -22.261 4.871 1.00 0.00 N ATOM 811 CA VAL A 54 13.229 -23.575 4.262 1.00 0.00 C ATOM 812 C VAL A 54 12.190 -23.537 3.147 1.00 0.00 C ATOM 813 O VAL A 54 12.479 -23.885 2.003 1.00 0.00 O ATOM 814 CB VAL A 54 12.810 -24.629 5.304 1.00 0.00 C ATOM 815 CG1 VAL A 54 12.223 -25.853 4.619 1.00 0.00 C ATOM 816 CG2 VAL A 54 13.995 -25.013 6.178 1.00 0.00 C ATOM 0 H VAL A 54 13.332 -22.258 5.889 1.00 0.00 H new ATOM 0 HA VAL A 54 14.196 -23.854 3.844 1.00 0.00 H new ATOM 0 HB VAL A 54 12.040 -24.197 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 54 11.933 -26.587 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.347 -25.561 4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.968 -26.290 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.682 -25.759 6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.788 -25.427 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.366 -24.129 6.697 1.00 0.00 H new ATOM 826 N GLY A 55 10.978 -23.112 3.489 1.00 0.00 N ATOM 827 CA GLY A 55 9.913 -23.036 2.506 1.00 0.00 C ATOM 828 C GLY A 55 10.366 -22.396 1.209 1.00 0.00 C ATOM 829 O GLY A 55 9.743 -22.585 0.164 1.00 0.00 O ATOM 0 H GLY A 55 10.714 -22.819 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.539 -24.039 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.082 -22.464 2.919 1.00 0.00 H new ATOM 833 N HIS A 56 11.454 -21.635 1.274 1.00 0.00 N ATOM 834 CA HIS A 56 11.990 -20.964 0.095 1.00 0.00 C ATOM 835 C HIS A 56 13.131 -21.770 -0.517 1.00 0.00 C ATOM 836 O HIS A 56 13.203 -21.936 -1.734 1.00 0.00 O ATOM 837 CB HIS A 56 12.478 -19.561 0.459 1.00 0.00 C ATOM 838 CG HIS A 56 13.542 -19.041 -0.458 1.00 0.00 C ATOM 839 ND1 HIS A 56 13.268 -18.489 -1.692 1.00 0.00 N ATOM 840 CD2 HIS A 56 14.887 -18.989 -0.315 1.00 0.00 C ATOM 841 CE1 HIS A 56 14.398 -18.122 -2.269 1.00 0.00 C ATOM 842 NE2 HIS A 56 15.396 -18.414 -1.453 1.00 0.00 N ATOM 0 H HIS A 56 11.982 -21.468 2.131 1.00 0.00 H new ATOM 0 HA HIS A 56 11.191 -20.883 -0.642 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.631 -18.875 0.445 1.00 0.00 H new ATOM 0 HB3 HIS A 56 12.862 -19.572 1.479 1.00 0.00 H new ATOM 0 HD1 HIS A 56 12.338 -18.381 -2.096 1.00 0.00 H new ATOM 0 HD2 HIS A 56 15.454 -19.335 0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.491 -17.662 -3.242 1.00 0.00 H new ATOM 850 N MET A 57 14.022 -22.267 0.335 1.00 0.00 N ATOM 851 CA MET A 57 15.160 -23.056 -0.123 1.00 0.00 C ATOM 852 C MET A 57 14.701 -24.203 -1.018 1.00 0.00 C ATOM 853 O MET A 57 15.447 -24.669 -1.879 1.00 0.00 O ATOM 854 CB MET A 57 15.940 -23.607 1.072 1.00 0.00 C ATOM 855 CG MET A 57 16.405 -22.533 2.042 1.00 0.00 C ATOM 856 SD MET A 57 18.099 -22.000 1.727 1.00 0.00 S ATOM 857 CE MET A 57 18.075 -21.831 -0.056 1.00 0.00 C ATOM 0 H MET A 57 13.978 -22.137 1.346 1.00 0.00 H new ATOM 0 HA MET A 57 15.812 -22.404 -0.704 1.00 0.00 H new ATOM 0 HB2 MET A 57 15.313 -24.321 1.606 1.00 0.00 H new ATOM 0 HB3 MET A 57 16.808 -24.156 0.707 1.00 0.00 H new ATOM 0 HG2 MET A 57 15.739 -21.673 1.973 1.00 0.00 H new ATOM 0 HG3 MET A 57 16.331 -22.912 3.061 1.00 0.00 H new ATOM 0 HE1 MET A 57 19.045 -21.472 -0.401 1.00 0.00 H new ATOM 0 HE2 MET A 57 17.864 -22.799 -0.510 1.00 0.00 H new ATOM 0 HE3 MET A 57 17.302 -21.119 -0.344 1.00 0.00 H new ATOM 867 N LYS A 58 13.469 -24.654 -0.808 1.00 0.00 N ATOM 868 CA LYS A 58 12.909 -25.746 -1.596 1.00 0.00 C ATOM 869 C LYS A 58 12.938 -25.414 -3.085 1.00 0.00 C ATOM 870 O LYS A 58 12.926 -26.308 -3.930 1.00 0.00 O ATOM 871 CB LYS A 58 11.473 -26.037 -1.156 1.00 0.00 C ATOM 872 CG LYS A 58 10.515 -24.885 -1.407 1.00 0.00 C ATOM 873 CD LYS A 58 9.226 -25.050 -0.619 1.00 0.00 C ATOM 874 CE LYS A 58 8.486 -26.316 -1.021 1.00 0.00 C ATOM 875 NZ LYS A 58 7.958 -26.233 -2.411 1.00 0.00 N ATOM 0 H LYS A 58 12.839 -24.280 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 58 13.521 -26.632 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.112 -26.920 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.469 -26.277 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.994 -23.946 -1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.287 -24.825 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.451 -25.082 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.584 -24.184 -0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.157 -27.171 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.662 -26.490 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.348 -27.053 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.406 -25.358 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.751 -26.229 -3.084 1.00 0.00 H new ATOM 889 N ILE A 59 12.979 -24.123 -3.397 1.00 0.00 N ATOM 890 CA ILE A 59 13.012 -23.673 -4.783 1.00 0.00 C ATOM 891 C ILE A 59 14.373 -23.945 -5.416 1.00 0.00 C ATOM 892 O ILE A 59 14.473 -24.182 -6.621 1.00 0.00 O ATOM 893 CB ILE A 59 12.697 -22.170 -4.895 1.00 0.00 C ATOM 894 CG1 ILE A 59 13.952 -21.341 -4.613 1.00 0.00 C ATOM 895 CG2 ILE A 59 11.578 -21.791 -3.937 1.00 0.00 C ATOM 896 CD1 ILE A 59 13.745 -19.853 -4.787 1.00 0.00 C ATOM 0 H ILE A 59 12.990 -23.370 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 59 12.246 -24.236 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 59 12.366 -21.958 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.285 -21.536 -3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 59 14.751 -21.669 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.367 -20.726 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.681 -22.361 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.883 -22.015 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.676 -19.328 -4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.441 -19.645 -5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.968 -19.511 -4.103 1.00 0.00 H new ATOM 908 N HIS A 60 15.418 -23.910 -4.596 1.00 0.00 N ATOM 909 CA HIS A 60 16.774 -24.155 -5.076 1.00 0.00 C ATOM 910 C HIS A 60 17.102 -25.645 -5.040 1.00 0.00 C ATOM 911 O HIS A 60 17.379 -26.256 -6.073 1.00 0.00 O ATOM 912 CB HIS A 60 17.784 -23.378 -4.231 1.00 0.00 C ATOM 913 CG HIS A 60 17.646 -21.891 -4.349 1.00 0.00 C ATOM 914 ND1 HIS A 60 17.675 -21.226 -5.557 1.00 0.00 N ATOM 915 CD2 HIS A 60 17.475 -20.940 -3.402 1.00 0.00 C ATOM 916 CE1 HIS A 60 17.530 -19.930 -5.347 1.00 0.00 C ATOM 917 NE2 HIS A 60 17.406 -19.730 -4.047 1.00 0.00 N ATOM 0 H HIS A 60 15.353 -23.715 -3.597 1.00 0.00 H new ATOM 0 HA HIS A 60 16.835 -23.812 -6.109 1.00 0.00 H new ATOM 0 HB2 HIS A 60 17.667 -23.664 -3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 60 18.792 -23.666 -4.529 1.00 0.00 H new ATOM 0 HD1 HIS A 60 17.790 -21.666 -6.470 1.00 0.00 H new ATOM 0 HD2 HIS A 60 17.406 -21.103 -2.337 1.00 0.00 H new ATOM 0 HE1 HIS A 60 17.515 -19.164 -6.108 1.00 0.00 H new ATOM 925 N THR A 61 17.070 -26.224 -3.844 1.00 0.00 N ATOM 926 CA THR A 61 17.366 -27.641 -3.673 1.00 0.00 C ATOM 927 C THR A 61 16.162 -28.502 -4.038 1.00 0.00 C ATOM 928 O THR A 61 15.016 -28.097 -3.848 1.00 0.00 O ATOM 929 CB THR A 61 17.788 -27.956 -2.226 1.00 0.00 C ATOM 930 OG1 THR A 61 17.839 -29.374 -2.028 1.00 0.00 O ATOM 931 CG2 THR A 61 16.819 -27.335 -1.232 1.00 0.00 C ATOM 0 H THR A 61 16.842 -25.733 -2.979 1.00 0.00 H new ATOM 0 HA THR A 61 18.193 -27.874 -4.344 1.00 0.00 H new ATOM 0 HB THR A 61 18.777 -27.530 -2.059 1.00 0.00 H new ATOM 0 HG1 THR A 61 18.110 -29.566 -1.106 1.00 0.00 H new ATOM 0 HG21 THR A 61 17.138 -27.571 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.804 -26.253 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.819 -27.735 -1.400 1.00 0.00 H new ATOM 939 N GLY A 62 16.430 -29.694 -4.563 1.00 0.00 N ATOM 940 CA GLY A 62 15.357 -30.594 -4.945 1.00 0.00 C ATOM 941 C GLY A 62 15.155 -30.649 -6.447 1.00 0.00 C ATOM 942 O GLY A 62 15.741 -29.860 -7.188 1.00 0.00 O ATOM 0 H GLY A 62 17.370 -30.052 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.577 -31.595 -4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.431 -30.274 -4.468 1.00 0.00 H new ATOM 946 N ILE A 63 14.324 -31.584 -6.896 1.00 0.00 N ATOM 947 CA ILE A 63 14.047 -31.740 -8.319 1.00 0.00 C ATOM 948 C ILE A 63 12.708 -31.113 -8.689 1.00 0.00 C ATOM 949 O ILE A 63 11.858 -30.881 -7.828 1.00 0.00 O ATOM 950 CB ILE A 63 14.040 -33.223 -8.732 1.00 0.00 C ATOM 951 CG1 ILE A 63 15.018 -34.021 -7.867 1.00 0.00 C ATOM 952 CG2 ILE A 63 14.390 -33.364 -10.206 1.00 0.00 C ATOM 953 CD1 ILE A 63 16.459 -33.596 -8.036 1.00 0.00 C ATOM 0 H ILE A 63 13.831 -32.245 -6.295 1.00 0.00 H new ATOM 0 HA ILE A 63 14.846 -31.227 -8.855 1.00 0.00 H new ATOM 0 HB ILE A 63 13.038 -33.623 -8.577 1.00 0.00 H new ATOM 0 HG12 ILE A 63 14.736 -33.912 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 63 14.928 -35.079 -8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 63 14.381 -34.418 -10.483 1.00 0.00 H new ATOM 0 HG22 ILE A 63 13.658 -32.825 -10.807 1.00 0.00 H new ATOM 0 HG23 ILE A 63 15.382 -32.950 -10.386 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.095 -34.204 -7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 63 16.759 -33.731 -9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 63 16.563 -32.546 -7.762 1.00 0.00 H new ATOM 965 N LYS A 64 12.523 -30.842 -9.977 1.00 0.00 N ATOM 966 CA LYS A 64 11.286 -30.245 -10.464 1.00 0.00 C ATOM 967 C LYS A 64 10.741 -31.021 -11.660 1.00 0.00 C ATOM 968 O LYS A 64 10.826 -30.581 -12.806 1.00 0.00 O ATOM 969 CB LYS A 64 11.519 -28.784 -10.855 1.00 0.00 C ATOM 970 CG LYS A 64 12.940 -28.495 -11.307 1.00 0.00 C ATOM 971 CD LYS A 64 13.116 -28.759 -12.793 1.00 0.00 C ATOM 972 CE LYS A 64 14.555 -28.532 -13.233 1.00 0.00 C ATOM 973 NZ LYS A 64 14.808 -29.066 -14.600 1.00 0.00 N ATOM 0 H LYS A 64 13.216 -31.027 -10.703 1.00 0.00 H new ATOM 0 HA LYS A 64 10.551 -30.287 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.830 -28.517 -11.656 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.281 -28.146 -10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.188 -27.456 -11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.636 -29.114 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.823 -29.784 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.453 -28.106 -13.361 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.777 -27.465 -13.213 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.231 -29.011 -12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.799 -28.892 -14.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.621 -30.089 -14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.181 -28.591 -15.280 1.00 0.00 H new ATOM 987 N PRO A 65 10.167 -32.202 -11.388 1.00 0.00 N ATOM 988 CA PRO A 65 9.596 -33.063 -12.428 1.00 0.00 C ATOM 989 C PRO A 65 8.326 -32.475 -13.034 1.00 0.00 C ATOM 990 O PRO A 65 7.961 -32.796 -14.165 1.00 0.00 O ATOM 991 CB PRO A 65 9.280 -34.361 -11.680 1.00 0.00 C ATOM 992 CG PRO A 65 9.096 -33.946 -10.262 1.00 0.00 C ATOM 993 CD PRO A 65 10.031 -32.789 -10.044 1.00 0.00 C ATOM 0 HA PRO A 65 10.278 -33.194 -13.268 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.381 -34.836 -12.073 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.091 -35.083 -11.779 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.063 -33.654 -10.072 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.326 -34.767 -9.582 1.00 0.00 H new ATOM 0 HD2 PRO A 65 9.623 -32.072 -9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.993 -33.118 -9.650 1.00 0.00 H new ATOM 1001 N TYR A 66 7.659 -31.613 -12.276 1.00 0.00 N ATOM 1002 CA TYR A 66 6.429 -30.981 -12.738 1.00 0.00 C ATOM 1003 C TYR A 66 6.488 -29.468 -12.548 1.00 0.00 C ATOM 1004 O TYR A 66 7.008 -28.978 -11.547 1.00 0.00 O ATOM 1005 CB TYR A 66 5.224 -31.553 -11.988 1.00 0.00 C ATOM 1006 CG TYR A 66 5.243 -33.060 -11.873 1.00 0.00 C ATOM 1007 CD1 TYR A 66 5.463 -33.860 -12.987 1.00 0.00 C ATOM 1008 CD2 TYR A 66 5.041 -33.685 -10.648 1.00 0.00 C ATOM 1009 CE1 TYR A 66 5.480 -35.237 -12.886 1.00 0.00 C ATOM 1010 CE2 TYR A 66 5.058 -35.062 -10.537 1.00 0.00 C ATOM 1011 CZ TYR A 66 5.278 -35.834 -11.659 1.00 0.00 C ATOM 1012 OH TYR A 66 5.295 -37.206 -11.554 1.00 0.00 O ATOM 0 H TYR A 66 7.949 -31.335 -11.338 1.00 0.00 H new ATOM 0 HA TYR A 66 6.321 -31.191 -13.802 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.191 -31.121 -10.988 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.310 -31.247 -12.498 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.624 -33.397 -13.949 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.868 -33.084 -9.768 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.651 -35.843 -13.763 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.900 -35.531 -9.577 1.00 0.00 H new ATOM 0 HH TYR A 66 5.613 -37.462 -10.663 1.00 0.00 H new ATOM 1022 N GLU A 67 5.951 -28.735 -13.518 1.00 0.00 N ATOM 1023 CA GLU A 67 5.943 -27.278 -13.459 1.00 0.00 C ATOM 1024 C GLU A 67 4.708 -26.712 -14.154 1.00 0.00 C ATOM 1025 O GLU A 67 4.439 -27.021 -15.315 1.00 0.00 O ATOM 1026 CB GLU A 67 7.209 -26.712 -14.104 1.00 0.00 C ATOM 1027 CG GLU A 67 7.083 -25.256 -14.518 1.00 0.00 C ATOM 1028 CD GLU A 67 6.639 -25.095 -15.959 1.00 0.00 C ATOM 1029 OE1 GLU A 67 6.407 -26.125 -16.626 1.00 0.00 O ATOM 1030 OE2 GLU A 67 6.523 -23.940 -16.419 1.00 0.00 O ATOM 0 H GLU A 67 5.516 -29.126 -14.354 1.00 0.00 H new ATOM 0 HA GLU A 67 5.916 -26.983 -12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.039 -26.811 -13.404 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.458 -27.310 -14.981 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.368 -24.757 -13.864 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.043 -24.759 -14.380 1.00 0.00 H new ATOM 1037 N CYS A 68 3.960 -25.883 -13.434 1.00 0.00 N ATOM 1038 CA CYS A 68 2.752 -25.273 -13.979 1.00 0.00 C ATOM 1039 C CYS A 68 3.051 -24.555 -15.292 1.00 0.00 C ATOM 1040 O CYS A 68 4.208 -24.420 -15.689 1.00 0.00 O ATOM 1041 CB CYS A 68 2.153 -24.290 -12.972 1.00 0.00 C ATOM 1042 SG CYS A 68 0.368 -23.996 -13.191 1.00 0.00 S ATOM 0 H CYS A 68 4.169 -25.618 -12.471 1.00 0.00 H new ATOM 0 HA CYS A 68 2.030 -26.066 -14.175 1.00 0.00 H new ATOM 0 HB2 CYS A 68 2.327 -24.667 -11.964 1.00 0.00 H new ATOM 0 HB3 CYS A 68 2.679 -23.339 -13.052 1.00 0.00 H new ATOM 1047 N ASN A 69 1.998 -24.095 -15.961 1.00 0.00 N ATOM 1048 CA ASN A 69 2.147 -23.390 -17.229 1.00 0.00 C ATOM 1049 C ASN A 69 1.810 -21.910 -17.072 1.00 0.00 C ATOM 1050 O ASN A 69 2.479 -21.047 -17.641 1.00 0.00 O ATOM 1051 CB ASN A 69 1.247 -24.019 -18.295 1.00 0.00 C ATOM 1052 CG ASN A 69 0.792 -23.013 -19.334 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -0.405 -22.829 -19.553 1.00 0.00 O ATOM 1054 ND2 ASN A 69 1.748 -22.358 -19.981 1.00 0.00 N ATOM 0 H ASN A 69 1.033 -24.198 -15.646 1.00 0.00 H new ATOM 0 HA ASN A 69 3.187 -23.476 -17.544 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.784 -24.829 -18.788 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.374 -24.461 -17.815 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.503 -21.670 -20.693 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.728 -22.543 -19.767 1.00 0.00 H new ATOM 1061 N ILE A 70 0.769 -21.625 -16.297 1.00 0.00 N ATOM 1062 CA ILE A 70 0.345 -20.250 -16.063 1.00 0.00 C ATOM 1063 C ILE A 70 1.343 -19.510 -15.180 1.00 0.00 C ATOM 1064 O ILE A 70 2.009 -18.575 -15.625 1.00 0.00 O ATOM 1065 CB ILE A 70 -1.047 -20.195 -15.406 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -2.083 -20.885 -16.295 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -1.448 -18.752 -15.137 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -2.194 -22.374 -16.050 1.00 0.00 C ATOM 0 H ILE A 70 0.204 -22.328 -15.821 1.00 0.00 H new ATOM 0 HA ILE A 70 0.297 -19.764 -17.037 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.005 -20.724 -14.454 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.057 -20.424 -16.129 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.824 -20.715 -17.340 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.434 -18.729 -14.673 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.721 -18.291 -14.468 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.477 -18.201 -16.077 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.947 -22.797 -16.715 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.232 -22.847 -16.244 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.484 -22.552 -15.014 1.00 0.00 H new ATOM 1080 N CYS A 71 1.442 -19.934 -13.925 1.00 0.00 N ATOM 1081 CA CYS A 71 2.359 -19.313 -12.977 1.00 0.00 C ATOM 1082 C CYS A 71 3.759 -19.907 -13.106 1.00 0.00 C ATOM 1083 O CYS A 71 4.720 -19.385 -12.541 1.00 0.00 O ATOM 1084 CB CYS A 71 1.847 -19.492 -11.546 1.00 0.00 C ATOM 1085 SG CYS A 71 1.560 -21.228 -11.072 1.00 0.00 S ATOM 0 H CYS A 71 0.898 -20.706 -13.540 1.00 0.00 H new ATOM 0 HA CYS A 71 2.412 -18.249 -13.206 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.567 -19.052 -10.856 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.916 -18.937 -11.432 1.00 0.00 H new ATOM 1090 N ALA A 72 3.865 -21.000 -13.853 1.00 0.00 N ATOM 1091 CA ALA A 72 5.147 -21.664 -14.059 1.00 0.00 C ATOM 1092 C ALA A 72 5.733 -22.147 -12.737 1.00 0.00 C ATOM 1093 O ALA A 72 6.949 -22.285 -12.598 1.00 0.00 O ATOM 1094 CB ALA A 72 6.120 -20.727 -14.759 1.00 0.00 C ATOM 0 H ALA A 72 3.079 -21.445 -14.326 1.00 0.00 H new ATOM 0 HA ALA A 72 4.980 -22.535 -14.692 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.073 -21.236 -14.906 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.711 -20.435 -15.726 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.274 -19.839 -14.147 1.00 0.00 H new ATOM 1100 N LYS A 73 4.862 -22.402 -11.767 1.00 0.00 N ATOM 1101 CA LYS A 73 5.292 -22.870 -10.454 1.00 0.00 C ATOM 1102 C LYS A 73 5.901 -24.266 -10.548 1.00 0.00 C ATOM 1103 O LYS A 73 5.624 -25.012 -11.487 1.00 0.00 O ATOM 1104 CB LYS A 73 4.111 -22.881 -9.481 1.00 0.00 C ATOM 1105 CG LYS A 73 3.914 -21.565 -8.749 1.00 0.00 C ATOM 1106 CD LYS A 73 2.689 -21.605 -7.851 1.00 0.00 C ATOM 1107 CE LYS A 73 2.430 -20.254 -7.202 1.00 0.00 C ATOM 1108 NZ LYS A 73 1.106 -20.210 -6.521 1.00 0.00 N ATOM 0 H LYS A 73 3.853 -22.292 -11.865 1.00 0.00 H new ATOM 0 HA LYS A 73 6.053 -22.184 -10.082 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.201 -23.121 -10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.261 -23.675 -8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.798 -21.344 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.809 -20.757 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.818 -21.902 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.828 -22.361 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.217 -20.042 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.474 -19.472 -7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.967 -19.273 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.352 -20.387 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.072 -20.939 -5.780 1.00 0.00 H new ATOM 1122 N ARG A 74 6.729 -24.612 -9.568 1.00 0.00 N ATOM 1123 CA ARG A 74 7.377 -25.918 -9.540 1.00 0.00 C ATOM 1124 C ARG A 74 6.881 -26.745 -8.357 1.00 0.00 C ATOM 1125 O ARG A 74 6.783 -26.247 -7.235 1.00 0.00 O ATOM 1126 CB ARG A 74 8.896 -25.756 -9.462 1.00 0.00 C ATOM 1127 CG ARG A 74 9.488 -24.995 -10.636 1.00 0.00 C ATOM 1128 CD ARG A 74 10.915 -24.554 -10.351 1.00 0.00 C ATOM 1129 NE ARG A 74 10.962 -23.372 -9.495 1.00 0.00 N ATOM 1130 CZ ARG A 74 12.019 -22.572 -9.403 1.00 0.00 C ATOM 1131 NH1 ARG A 74 13.110 -22.825 -10.113 1.00 0.00 N ATOM 1132 NH2 ARG A 74 11.985 -21.515 -8.602 1.00 0.00 N ATOM 0 H ARG A 74 6.967 -24.006 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 74 7.122 -26.443 -10.461 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.151 -25.237 -8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.356 -26.743 -9.410 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.471 -25.625 -11.525 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.873 -24.122 -10.853 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.458 -25.369 -9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 74 11.423 -24.341 -11.291 1.00 0.00 H new ATOM 0 HE ARG A 74 10.138 -23.148 -8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.139 -23.635 -10.732 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.920 -22.209 -10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.147 -21.316 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.797 -20.902 -8.532 1.00 0.00 H new ATOM 1146 N PHE A 75 6.569 -28.010 -8.616 1.00 0.00 N ATOM 1147 CA PHE A 75 6.082 -28.906 -7.574 1.00 0.00 C ATOM 1148 C PHE A 75 6.906 -30.190 -7.531 1.00 0.00 C ATOM 1149 O PHE A 75 7.543 -30.564 -8.515 1.00 0.00 O ATOM 1150 CB PHE A 75 4.607 -29.241 -7.808 1.00 0.00 C ATOM 1151 CG PHE A 75 3.723 -28.030 -7.889 1.00 0.00 C ATOM 1152 CD1 PHE A 75 3.678 -27.266 -9.044 1.00 0.00 C ATOM 1153 CD2 PHE A 75 2.938 -27.656 -6.811 1.00 0.00 C ATOM 1154 CE1 PHE A 75 2.865 -26.151 -9.123 1.00 0.00 C ATOM 1155 CE2 PHE A 75 2.122 -26.542 -6.884 1.00 0.00 C ATOM 1156 CZ PHE A 75 2.087 -25.788 -8.041 1.00 0.00 C ATOM 0 H PHE A 75 6.645 -28.438 -9.539 1.00 0.00 H new ATOM 0 HA PHE A 75 6.185 -28.397 -6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.514 -29.811 -8.732 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.256 -29.884 -7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.285 -27.545 -9.892 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.963 -28.241 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.838 -25.564 -10.029 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.513 -26.262 -6.037 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.452 -24.916 -8.099 1.00 0.00 H new ATOM 1166 N MET A 76 6.889 -30.859 -6.383 1.00 0.00 N ATOM 1167 CA MET A 76 7.634 -32.100 -6.211 1.00 0.00 C ATOM 1168 C MET A 76 6.723 -33.311 -6.390 1.00 0.00 C ATOM 1169 O MET A 76 7.125 -34.322 -6.965 1.00 0.00 O ATOM 1170 CB MET A 76 8.289 -32.141 -4.829 1.00 0.00 C ATOM 1171 CG MET A 76 7.293 -32.273 -3.688 1.00 0.00 C ATOM 1172 SD MET A 76 8.054 -32.037 -2.071 1.00 0.00 S ATOM 1173 CE MET A 76 8.973 -33.565 -1.903 1.00 0.00 C ATOM 0 H MET A 76 6.367 -30.562 -5.558 1.00 0.00 H new ATOM 0 HA MET A 76 8.411 -32.135 -6.974 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.986 -32.978 -4.791 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.874 -31.233 -4.686 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.496 -31.541 -3.820 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.830 -33.259 -3.727 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.442 -33.601 -0.920 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.295 -34.411 -2.013 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.742 -33.614 -2.674 1.00 0.00 H new ATOM 1183 N TRP A 77 5.496 -33.199 -5.895 1.00 0.00 N ATOM 1184 CA TRP A 77 4.528 -34.286 -6.001 1.00 0.00 C ATOM 1185 C TRP A 77 3.665 -34.126 -7.247 1.00 0.00 C ATOM 1186 O TRP A 77 3.319 -33.010 -7.635 1.00 0.00 O ATOM 1187 CB TRP A 77 3.642 -34.330 -4.754 1.00 0.00 C ATOM 1188 CG TRP A 77 4.415 -34.512 -3.483 1.00 0.00 C ATOM 1189 CD1 TRP A 77 4.785 -33.536 -2.602 1.00 0.00 C ATOM 1190 CD2 TRP A 77 4.913 -35.745 -2.952 1.00 0.00 C ATOM 1191 NE1 TRP A 77 5.483 -34.089 -1.555 1.00 0.00 N ATOM 1192 CE2 TRP A 77 5.575 -35.442 -1.746 1.00 0.00 C ATOM 1193 CE3 TRP A 77 4.862 -37.075 -3.376 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 6.181 -36.421 -0.963 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 5.465 -38.046 -2.599 1.00 0.00 C ATOM 1196 CH2 TRP A 77 6.116 -37.715 -1.403 1.00 0.00 C ATOM 0 H TRP A 77 5.147 -32.368 -5.417 1.00 0.00 H new ATOM 0 HA TRP A 77 5.078 -35.224 -6.081 1.00 0.00 H new ATOM 0 HB2 TRP A 77 3.067 -33.406 -4.692 1.00 0.00 H new ATOM 0 HB3 TRP A 77 2.925 -35.145 -4.855 1.00 0.00 H new ATOM 0 HD1 TRP A 77 4.562 -32.485 -2.712 1.00 0.00 H new ATOM 0 HE1 TRP A 77 5.870 -33.575 -0.764 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.360 -37.340 -4.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 6.684 -36.168 -0.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.434 -39.077 -2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.576 -38.497 -0.817 1.00 0.00 H new ATOM 1207 N ARG A 78 3.321 -35.248 -7.871 1.00 0.00 N ATOM 1208 CA ARG A 78 2.499 -35.232 -9.075 1.00 0.00 C ATOM 1209 C ARG A 78 1.066 -34.821 -8.749 1.00 0.00 C ATOM 1210 O ARG A 78 0.450 -34.046 -9.480 1.00 0.00 O ATOM 1211 CB ARG A 78 2.507 -36.608 -9.743 1.00 0.00 C ATOM 1212 CG ARG A 78 1.492 -36.746 -10.866 1.00 0.00 C ATOM 1213 CD ARG A 78 2.052 -36.244 -12.187 1.00 0.00 C ATOM 1214 NE ARG A 78 1.295 -36.750 -13.330 1.00 0.00 N ATOM 1215 CZ ARG A 78 1.735 -36.701 -14.582 1.00 0.00 C ATOM 1216 NH1 ARG A 78 2.921 -36.173 -14.852 1.00 0.00 N ATOM 1217 NH2 ARG A 78 0.988 -37.181 -15.568 1.00 0.00 N ATOM 0 H ARG A 78 3.599 -36.180 -7.563 1.00 0.00 H new ATOM 0 HA ARG A 78 2.921 -34.500 -9.763 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.503 -36.804 -10.139 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.308 -37.370 -8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.199 -37.791 -10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.591 -36.186 -10.615 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.037 -35.154 -12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.094 -36.550 -12.278 1.00 0.00 H new ATOM 0 HE ARG A 78 0.379 -37.163 -13.157 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.498 -35.803 -14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.256 -36.137 -15.815 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.075 -37.588 -15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.327 -37.143 -16.529 1.00 0.00 H new ATOM 1231 N ASP A 79 0.541 -35.347 -7.648 1.00 0.00 N ATOM 1232 CA ASP A 79 -0.819 -35.035 -7.224 1.00 0.00 C ATOM 1233 C ASP A 79 -0.993 -33.534 -7.017 1.00 0.00 C ATOM 1234 O ASP A 79 -2.030 -32.966 -7.358 1.00 0.00 O ATOM 1235 CB ASP A 79 -1.158 -35.784 -5.934 1.00 0.00 C ATOM 1236 CG ASP A 79 -0.106 -35.593 -4.860 1.00 0.00 C ATOM 1237 OD1 ASP A 79 -0.232 -34.636 -4.068 1.00 0.00 O ATOM 1238 OD2 ASP A 79 0.845 -36.402 -4.811 1.00 0.00 O ATOM 0 H ASP A 79 1.037 -35.992 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.501 -35.356 -8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.122 -35.439 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.262 -36.847 -6.151 1.00 0.00 H new ATOM 1243 N SER A 80 0.029 -32.897 -6.454 1.00 0.00 N ATOM 1244 CA SER A 80 -0.012 -31.463 -6.196 1.00 0.00 C ATOM 1245 C SER A 80 0.017 -30.675 -7.503 1.00 0.00 C ATOM 1246 O SER A 80 -0.754 -29.734 -7.691 1.00 0.00 O ATOM 1247 CB SER A 80 1.164 -31.048 -5.311 1.00 0.00 C ATOM 1248 OG SER A 80 0.824 -29.938 -4.498 1.00 0.00 O ATOM 0 H SER A 80 0.896 -33.352 -6.168 1.00 0.00 H new ATOM 0 HA SER A 80 -0.944 -31.239 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.463 -31.886 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.022 -30.797 -5.935 1.00 0.00 H new ATOM 0 HG SER A 80 1.592 -29.693 -3.941 1.00 0.00 H new ATOM 1254 N PHE A 81 0.913 -31.067 -8.402 1.00 0.00 N ATOM 1255 CA PHE A 81 1.045 -30.398 -9.691 1.00 0.00 C ATOM 1256 C PHE A 81 -0.298 -30.334 -10.411 1.00 0.00 C ATOM 1257 O PHE A 81 -0.801 -29.253 -10.719 1.00 0.00 O ATOM 1258 CB PHE A 81 2.071 -31.124 -10.564 1.00 0.00 C ATOM 1259 CG PHE A 81 2.012 -30.730 -12.012 1.00 0.00 C ATOM 1260 CD1 PHE A 81 2.464 -29.487 -12.425 1.00 0.00 C ATOM 1261 CD2 PHE A 81 1.503 -31.603 -12.961 1.00 0.00 C ATOM 1262 CE1 PHE A 81 2.411 -29.122 -13.757 1.00 0.00 C ATOM 1263 CE2 PHE A 81 1.449 -31.243 -14.294 1.00 0.00 C ATOM 1264 CZ PHE A 81 1.902 -30.001 -14.692 1.00 0.00 C ATOM 0 H PHE A 81 1.558 -31.844 -8.262 1.00 0.00 H new ATOM 0 HA PHE A 81 1.389 -29.380 -9.510 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.071 -30.921 -10.181 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.911 -32.199 -10.481 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.862 -28.795 -11.698 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.145 -32.575 -12.655 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.767 -28.150 -14.066 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.053 -31.933 -15.024 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.858 -29.718 -15.733 1.00 0.00 H new ATOM 1274 N HIS A 82 -0.875 -31.502 -10.678 1.00 0.00 N ATOM 1275 CA HIS A 82 -2.161 -31.581 -11.362 1.00 0.00 C ATOM 1276 C HIS A 82 -3.267 -30.958 -10.515 1.00 0.00 C ATOM 1277 O HIS A 82 -4.091 -30.194 -11.017 1.00 0.00 O ATOM 1278 CB HIS A 82 -2.505 -33.036 -11.681 1.00 0.00 C ATOM 1279 CG HIS A 82 -2.003 -33.491 -13.017 1.00 0.00 C ATOM 1280 ND1 HIS A 82 -1.495 -34.753 -13.240 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -1.935 -32.845 -14.204 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -1.134 -34.863 -14.506 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -1.391 -33.719 -15.113 1.00 0.00 N ATOM 0 H HIS A 82 -0.472 -32.406 -10.431 1.00 0.00 H new ATOM 0 HA HIS A 82 -2.083 -31.021 -12.294 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -2.086 -33.678 -10.906 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.587 -33.161 -11.647 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -2.250 -31.831 -14.400 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.702 -35.739 -14.966 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.214 -33.517 -16.097 1.00 0.00 H new ATOM 1291 N ARG A 83 -3.278 -31.292 -9.228 1.00 0.00 N ATOM 1292 CA ARG A 83 -4.283 -30.767 -8.312 1.00 0.00 C ATOM 1293 C ARG A 83 -4.321 -29.242 -8.361 1.00 0.00 C ATOM 1294 O ARG A 83 -5.391 -28.635 -8.303 1.00 0.00 O ATOM 1295 CB ARG A 83 -3.996 -31.235 -6.884 1.00 0.00 C ATOM 1296 CG ARG A 83 -4.848 -30.542 -5.833 1.00 0.00 C ATOM 1297 CD ARG A 83 -4.344 -30.831 -4.428 1.00 0.00 C ATOM 1298 NE ARG A 83 -5.170 -30.191 -3.408 1.00 0.00 N ATOM 1299 CZ ARG A 83 -5.021 -28.927 -3.028 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -4.082 -28.171 -3.581 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -5.812 -28.416 -2.093 1.00 0.00 N ATOM 0 H ARG A 83 -2.603 -31.923 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.256 -31.147 -8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.162 -32.311 -6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.944 -31.062 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.841 -29.466 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.882 -30.874 -5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.332 -31.908 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.316 -30.482 -4.333 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.902 -30.745 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.472 -28.560 -4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.970 -27.201 -3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.535 -28.994 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.697 -27.445 -1.802 1.00 0.00 H new ATOM 1315 N HIS A 84 -3.147 -28.630 -8.469 1.00 0.00 N ATOM 1316 CA HIS A 84 -3.045 -27.176 -8.527 1.00 0.00 C ATOM 1317 C HIS A 84 -3.313 -26.668 -9.940 1.00 0.00 C ATOM 1318 O HIS A 84 -4.228 -25.875 -10.163 1.00 0.00 O ATOM 1319 CB HIS A 84 -1.661 -26.721 -8.063 1.00 0.00 C ATOM 1320 CG HIS A 84 -1.261 -25.381 -8.598 1.00 0.00 C ATOM 1321 ND1 HIS A 84 -1.250 -24.236 -7.829 1.00 0.00 N ATOM 1322 CD2 HIS A 84 -0.853 -25.006 -9.833 1.00 0.00 C ATOM 1323 CE1 HIS A 84 -0.855 -23.215 -8.569 1.00 0.00 C ATOM 1324 NE2 HIS A 84 -0.607 -23.656 -9.789 1.00 0.00 N ATOM 0 H HIS A 84 -2.253 -29.118 -8.518 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.799 -26.757 -7.860 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.645 -26.688 -6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.922 -27.461 -8.370 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.507 -24.185 -6.843 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.742 -25.649 -10.693 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.752 -22.194 -8.233 1.00 0.00 H new ATOM 1332 N VAL A 85 -2.508 -27.129 -10.892 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.659 -26.722 -12.284 1.00 0.00 C ATOM 1334 C VAL A 85 -4.116 -26.799 -12.725 1.00 0.00 C ATOM 1335 O VAL A 85 -4.662 -25.842 -13.275 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.803 -27.597 -13.220 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.912 -27.107 -14.656 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.353 -27.609 -12.760 1.00 0.00 C ATOM 0 H VAL A 85 -1.745 -27.785 -10.725 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.317 -25.689 -12.351 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.181 -28.619 -13.180 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.301 -27.737 -15.303 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.952 -27.156 -14.979 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.561 -26.077 -14.716 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.237 -28.232 -13.432 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.040 -26.592 -12.769 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.295 -28.012 -11.749 1.00 0.00 H new ATOM 1348 N THR A 86 -4.743 -27.945 -12.479 1.00 0.00 N ATOM 1349 CA THR A 86 -6.137 -28.148 -12.851 1.00 0.00 C ATOM 1350 C THR A 86 -6.982 -26.928 -12.506 1.00 0.00 C ATOM 1351 O THR A 86 -8.009 -26.673 -13.135 1.00 0.00 O ATOM 1352 CB THR A 86 -6.731 -29.385 -12.150 1.00 0.00 C ATOM 1353 OG1 THR A 86 -7.873 -29.858 -12.875 1.00 0.00 O ATOM 1354 CG2 THR A 86 -7.133 -29.055 -10.720 1.00 0.00 C ATOM 0 H THR A 86 -4.307 -28.747 -12.024 1.00 0.00 H new ATOM 0 HA THR A 86 -6.156 -28.306 -13.929 1.00 0.00 H new ATOM 0 HB THR A 86 -5.968 -30.163 -12.126 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.244 -30.645 -12.424 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.550 -29.943 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.257 -28.723 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.881 -28.262 -10.726 1.00 0.00 H new ATOM 1362 N SER A 87 -6.543 -26.175 -11.502 1.00 0.00 N ATOM 1363 CA SER A 87 -7.262 -24.981 -11.071 1.00 0.00 C ATOM 1364 C SER A 87 -6.590 -23.720 -11.605 1.00 0.00 C ATOM 1365 O SER A 87 -7.260 -22.780 -12.035 1.00 0.00 O ATOM 1366 CB SER A 87 -7.332 -24.927 -9.543 1.00 0.00 C ATOM 1367 OG SER A 87 -8.117 -25.989 -9.031 1.00 0.00 O ATOM 0 H SER A 87 -5.694 -26.370 -10.972 1.00 0.00 H new ATOM 0 HA SER A 87 -8.274 -25.031 -11.473 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.326 -24.981 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.756 -23.973 -9.229 1.00 0.00 H new ATOM 0 HG SER A 87 -8.145 -25.933 -8.053 1.00 0.00 H new ATOM 1373 N CYS A 88 -5.262 -23.707 -11.576 1.00 0.00 N ATOM 1374 CA CYS A 88 -4.497 -22.563 -12.056 1.00 0.00 C ATOM 1375 C CYS A 88 -4.899 -22.200 -13.483 1.00 0.00 C ATOM 1376 O CYS A 88 -4.692 -21.071 -13.931 1.00 0.00 O ATOM 1377 CB CYS A 88 -2.998 -22.864 -11.999 1.00 0.00 C ATOM 1378 SG CYS A 88 -1.938 -21.385 -12.091 1.00 0.00 S ATOM 0 H CYS A 88 -4.693 -24.477 -11.225 1.00 0.00 H new ATOM 0 HA CYS A 88 -4.715 -21.714 -11.408 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -2.780 -23.397 -11.073 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -2.741 -23.533 -12.820 1.00 0.00 H new ATOM 1383 N THR A 89 -5.477 -23.164 -14.193 1.00 0.00 N ATOM 1384 CA THR A 89 -5.908 -22.948 -15.568 1.00 0.00 C ATOM 1385 C THR A 89 -7.316 -22.367 -15.617 1.00 0.00 C ATOM 1386 O THR A 89 -7.560 -21.358 -16.280 1.00 0.00 O ATOM 1387 CB THR A 89 -5.876 -24.256 -16.379 1.00 0.00 C ATOM 1388 OG1 THR A 89 -4.591 -24.877 -16.258 1.00 0.00 O ATOM 1389 CG2 THR A 89 -6.179 -23.991 -17.846 1.00 0.00 C ATOM 0 H THR A 89 -5.657 -24.103 -13.838 1.00 0.00 H new ATOM 0 HA THR A 89 -5.209 -22.238 -16.011 1.00 0.00 H new ATOM 0 HB THR A 89 -6.641 -24.923 -15.980 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.494 -25.256 -15.359 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.151 -24.930 -18.399 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.169 -23.545 -17.938 1.00 0.00 H new ATOM 0 HG23 THR A 89 -5.434 -23.307 -18.254 1.00 0.00 H new ATOM 1397 N LYS A 90 -8.241 -23.009 -14.912 1.00 0.00 N ATOM 1398 CA LYS A 90 -9.627 -22.556 -14.874 1.00 0.00 C ATOM 1399 C LYS A 90 -9.703 -21.033 -14.932 1.00 0.00 C ATOM 1400 O LYS A 90 -10.351 -20.468 -15.812 1.00 0.00 O ATOM 1401 CB LYS A 90 -10.316 -23.064 -13.605 1.00 0.00 C ATOM 1402 CG LYS A 90 -10.792 -24.502 -13.706 1.00 0.00 C ATOM 1403 CD LYS A 90 -11.187 -25.056 -12.347 1.00 0.00 C ATOM 1404 CE LYS A 90 -12.609 -24.662 -11.977 1.00 0.00 C ATOM 1405 NZ LYS A 90 -13.617 -25.535 -12.639 1.00 0.00 N ATOM 0 H LYS A 90 -8.056 -23.846 -14.359 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.140 -22.961 -15.746 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.625 -22.977 -12.767 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.169 -22.423 -13.383 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.644 -24.557 -14.384 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.002 -25.118 -14.135 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.100 -26.142 -12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.497 -24.688 -11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.732 -24.721 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.784 -23.625 -12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.573 -25.234 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.517 -25.460 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.467 -26.522 -12.347 1.00 0.00 H new ATOM 1419 N SER A 91 -9.035 -20.376 -13.989 1.00 0.00 N ATOM 1420 CA SER A 91 -9.029 -18.919 -13.932 1.00 0.00 C ATOM 1421 C SER A 91 -8.400 -18.328 -15.191 1.00 0.00 C ATOM 1422 O SER A 91 -8.908 -17.359 -15.755 1.00 0.00 O ATOM 1423 CB SER A 91 -8.268 -18.439 -12.695 1.00 0.00 C ATOM 1424 OG SER A 91 -9.027 -18.646 -11.516 1.00 0.00 O ATOM 0 H SER A 91 -8.491 -20.829 -13.255 1.00 0.00 H new ATOM 0 HA SER A 91 -10.063 -18.579 -13.869 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.320 -18.971 -12.619 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.032 -17.380 -12.798 1.00 0.00 H new ATOM 0 HG SER A 91 -8.518 -18.332 -10.740 1.00 0.00 H new ATOM 1430 N TYR A 92 -7.293 -18.920 -15.624 1.00 0.00 N ATOM 1431 CA TYR A 92 -6.592 -18.452 -16.814 1.00 0.00 C ATOM 1432 C TYR A 92 -7.520 -18.445 -18.025 1.00 0.00 C ATOM 1433 O TYR A 92 -7.689 -17.420 -18.686 1.00 0.00 O ATOM 1434 CB TYR A 92 -5.375 -19.335 -17.096 1.00 0.00 C ATOM 1435 CG TYR A 92 -4.790 -19.138 -18.476 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -5.378 -19.724 -19.590 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -3.650 -18.368 -18.665 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -4.847 -19.548 -20.854 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -3.113 -18.185 -19.925 1.00 0.00 C ATOM 1440 CZ TYR A 92 -3.715 -18.777 -21.016 1.00 0.00 C ATOM 1441 OH TYR A 92 -3.182 -18.598 -22.272 1.00 0.00 O ATOM 0 H TYR A 92 -6.862 -19.725 -15.169 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.257 -17.431 -16.629 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.606 -19.128 -16.352 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.660 -20.380 -16.977 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.265 -20.327 -19.466 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -3.175 -17.904 -17.813 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -5.316 -20.011 -21.710 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.227 -17.582 -20.055 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.387 -18.028 -22.212 1.00 0.00 H new ATOM 1451 N GLU A 93 -8.120 -19.597 -18.310 1.00 0.00 N ATOM 1452 CA GLU A 93 -9.031 -19.724 -19.441 1.00 0.00 C ATOM 1453 C GLU A 93 -10.126 -18.663 -19.380 1.00 0.00 C ATOM 1454 O GLU A 93 -10.438 -18.019 -20.382 1.00 0.00 O ATOM 1455 CB GLU A 93 -9.660 -21.119 -19.464 1.00 0.00 C ATOM 1456 CG GLU A 93 -8.700 -22.211 -19.906 1.00 0.00 C ATOM 1457 CD GLU A 93 -9.414 -23.415 -20.488 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -10.516 -23.237 -21.049 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -8.873 -24.536 -20.383 1.00 0.00 O ATOM 0 H GLU A 93 -7.991 -20.455 -17.773 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.456 -19.577 -20.355 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.034 -21.357 -18.468 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.520 -21.110 -20.134 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.013 -21.806 -20.649 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.098 -22.527 -19.054 1.00 0.00 H new ATOM 1466 N ALA A 94 -10.706 -18.486 -18.197 1.00 0.00 N ATOM 1467 CA ALA A 94 -11.764 -17.503 -18.004 1.00 0.00 C ATOM 1468 C ALA A 94 -11.417 -16.182 -18.685 1.00 0.00 C ATOM 1469 O ALA A 94 -12.218 -15.634 -19.442 1.00 0.00 O ATOM 1470 CB ALA A 94 -12.017 -17.283 -16.520 1.00 0.00 C ATOM 0 H ALA A 94 -10.460 -19.011 -17.358 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.674 -17.891 -18.462 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -12.810 -16.546 -16.391 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -12.318 -18.224 -16.059 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.105 -16.921 -16.045 1.00 0.00 H new ATOM 1476 N ALA A 95 -10.220 -15.677 -18.409 1.00 0.00 N ATOM 1477 CA ALA A 95 -9.767 -14.422 -18.995 1.00 0.00 C ATOM 1478 C ALA A 95 -9.331 -14.618 -20.443 1.00 0.00 C ATOM 1479 O ALA A 95 -9.678 -13.825 -21.320 1.00 0.00 O ATOM 1480 CB ALA A 95 -8.628 -13.836 -18.174 1.00 0.00 C ATOM 0 H ALA A 95 -9.546 -16.118 -17.783 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.603 -13.723 -18.986 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.300 -12.899 -18.624 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.971 -13.650 -17.156 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.795 -14.539 -18.153 1.00 0.00 H new ATOM 1486 N LYS A 96 -8.569 -15.678 -20.689 1.00 0.00 N ATOM 1487 CA LYS A 96 -8.086 -15.980 -22.031 1.00 0.00 C ATOM 1488 C LYS A 96 -9.209 -15.850 -23.055 1.00 0.00 C ATOM 1489 O LYS A 96 -10.378 -16.068 -22.739 1.00 0.00 O ATOM 1490 CB LYS A 96 -7.499 -17.392 -22.078 1.00 0.00 C ATOM 1491 CG LYS A 96 -7.130 -17.851 -23.478 1.00 0.00 C ATOM 1492 CD LYS A 96 -8.291 -18.558 -24.157 1.00 0.00 C ATOM 1493 CE LYS A 96 -8.428 -19.994 -23.675 1.00 0.00 C ATOM 1494 NZ LYS A 96 -7.291 -20.843 -24.129 1.00 0.00 N ATOM 0 H LYS A 96 -8.272 -16.343 -19.975 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.306 -15.261 -22.280 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.611 -17.428 -21.447 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.220 -18.091 -21.654 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.827 -16.991 -24.076 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.273 -18.523 -23.428 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.215 -18.016 -23.957 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.143 -18.548 -25.237 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.480 -20.008 -22.586 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.364 -20.413 -24.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.567 -21.845 -24.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.041 -20.594 -25.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.470 -20.684 -23.511 1.00 0.00 H new ATOM 1508 N ALA A 97 -8.845 -15.495 -24.283 1.00 0.00 N ATOM 1509 CA ALA A 97 -9.821 -15.340 -25.354 1.00 0.00 C ATOM 1510 C ALA A 97 -10.862 -14.283 -25.000 1.00 0.00 C ATOM 1511 O ALA A 97 -12.054 -14.468 -25.241 1.00 0.00 O ATOM 1512 CB ALA A 97 -10.497 -16.671 -25.648 1.00 0.00 C ATOM 0 H ALA A 97 -7.881 -15.309 -24.560 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.293 -15.007 -26.248 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.224 -16.541 -26.450 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.747 -17.401 -25.953 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -11.006 -17.027 -24.752 1.00 0.00 H new ATOM 1518 N GLU A 98 -10.402 -13.175 -24.427 1.00 0.00 N ATOM 1519 CA GLU A 98 -11.294 -12.089 -24.039 1.00 0.00 C ATOM 1520 C GLU A 98 -11.686 -11.248 -25.250 1.00 0.00 C ATOM 1521 O GLU A 98 -12.854 -10.902 -25.426 1.00 0.00 O ATOM 1522 CB GLU A 98 -10.628 -11.204 -22.983 1.00 0.00 C ATOM 1523 CG GLU A 98 -11.454 -9.988 -22.599 1.00 0.00 C ATOM 1524 CD GLU A 98 -11.192 -9.530 -21.178 1.00 0.00 C ATOM 1525 OE1 GLU A 98 -10.008 -9.428 -20.795 1.00 0.00 O ATOM 1526 OE2 GLU A 98 -12.173 -9.273 -20.448 1.00 0.00 O ATOM 0 H GLU A 98 -9.417 -13.006 -24.221 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.197 -12.529 -23.616 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.437 -11.799 -22.090 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.660 -10.872 -23.358 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.233 -9.172 -23.286 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.513 -10.222 -22.712 1.00 0.00 H new ATOM 1533 N GLN A 99 -10.701 -10.922 -26.080 1.00 0.00 N ATOM 1534 CA GLN A 99 -10.943 -10.120 -27.274 1.00 0.00 C ATOM 1535 C GLN A 99 -11.439 -10.990 -28.424 1.00 0.00 C ATOM 1536 O GLN A 99 -12.130 -10.513 -29.323 1.00 0.00 O ATOM 1537 CB GLN A 99 -9.666 -9.386 -27.688 1.00 0.00 C ATOM 1538 CG GLN A 99 -8.498 -10.314 -27.977 1.00 0.00 C ATOM 1539 CD GLN A 99 -7.369 -9.619 -28.714 1.00 0.00 C ATOM 1540 OE1 GLN A 99 -7.300 -9.654 -29.942 1.00 0.00 O ATOM 1541 NE2 GLN A 99 -6.476 -8.983 -27.964 1.00 0.00 N ATOM 0 H GLN A 99 -9.729 -11.200 -25.948 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.715 -9.388 -27.038 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.872 -8.788 -28.575 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.382 -8.693 -26.896 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.119 -10.719 -27.038 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.848 -11.159 -28.570 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.572 -8.980 -26.949 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.694 -8.498 -28.404 1.00 0.00 H new ATOM 1550 N ASN A 100 -11.080 -12.270 -28.388 1.00 0.00 N ATOM 1551 CA ASN A 100 -11.488 -13.207 -29.428 1.00 0.00 C ATOM 1552 C ASN A 100 -13.002 -13.189 -29.613 1.00 0.00 C ATOM 1553 O ASN A 100 -13.502 -13.204 -30.739 1.00 0.00 O ATOM 1554 CB ASN A 100 -11.023 -14.622 -29.079 1.00 0.00 C ATOM 1555 CG ASN A 100 -9.520 -14.785 -29.205 1.00 0.00 C ATOM 1556 OD1 ASN A 100 -8.861 -14.030 -29.921 1.00 0.00 O ATOM 1557 ND2 ASN A 100 -8.971 -15.773 -28.509 1.00 0.00 N ATOM 0 H ASN A 100 -10.508 -12.681 -27.650 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.022 -12.898 -30.364 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.327 -14.860 -28.060 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.519 -15.337 -29.735 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.964 -15.931 -28.555 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -9.556 -16.374 -27.929 1.00 0.00 H new ATOM 1564 N THR A 101 -13.729 -13.155 -28.500 1.00 0.00 N ATOM 1565 CA THR A 101 -15.186 -13.135 -28.539 1.00 0.00 C ATOM 1566 C THR A 101 -15.709 -11.733 -28.828 1.00 0.00 C ATOM 1567 O THR A 101 -15.153 -10.741 -28.355 1.00 0.00 O ATOM 1568 CB THR A 101 -15.790 -13.633 -27.212 1.00 0.00 C ATOM 1569 OG1 THR A 101 -15.239 -12.894 -26.116 1.00 0.00 O ATOM 1570 CG2 THR A 101 -15.519 -15.117 -27.018 1.00 0.00 C ATOM 0 H THR A 101 -13.332 -13.141 -27.560 1.00 0.00 H new ATOM 0 HA THR A 101 -15.490 -13.806 -29.343 1.00 0.00 H new ATOM 0 HB THR A 101 -16.868 -13.479 -27.248 1.00 0.00 H new ATOM 0 HG1 THR A 101 -15.629 -13.215 -25.276 1.00 0.00 H new ATOM 0 HG21 THR A 101 -15.955 -15.446 -26.075 1.00 0.00 H new ATOM 0 HG22 THR A 101 -15.965 -15.679 -27.839 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.443 -15.291 -27.001 1.00 0.00 H new ATOM 1578 N THR A 102 -16.782 -11.656 -29.609 1.00 0.00 N ATOM 1579 CA THR A 102 -17.380 -10.375 -29.962 1.00 0.00 C ATOM 1580 C THR A 102 -17.452 -9.450 -28.752 1.00 0.00 C ATOM 1581 O THR A 102 -18.011 -9.809 -27.717 1.00 0.00 O ATOM 1582 CB THR A 102 -18.797 -10.556 -30.539 1.00 0.00 C ATOM 1583 OG1 THR A 102 -19.647 -11.175 -29.568 1.00 0.00 O ATOM 1584 CG2 THR A 102 -18.762 -11.403 -31.803 1.00 0.00 C ATOM 0 H THR A 102 -17.255 -12.466 -30.009 1.00 0.00 H new ATOM 0 HA THR A 102 -16.740 -9.927 -30.722 1.00 0.00 H new ATOM 0 HB THR A 102 -19.191 -9.571 -30.790 1.00 0.00 H new ATOM 0 HG1 THR A 102 -19.305 -10.990 -28.668 1.00 0.00 H new ATOM 0 HG21 THR A 102 -19.774 -11.517 -32.193 1.00 0.00 H new ATOM 0 HG22 THR A 102 -18.138 -10.914 -32.551 1.00 0.00 H new ATOM 0 HG23 THR A 102 -18.349 -12.385 -31.572 1.00 0.00 H new ATOM 1592 N GLU A 103 -16.882 -8.257 -28.891 1.00 0.00 N ATOM 1593 CA GLU A 103 -16.882 -7.280 -27.808 1.00 0.00 C ATOM 1594 C GLU A 103 -18.237 -6.585 -27.701 1.00 0.00 C ATOM 1595 O GLU A 103 -18.828 -6.199 -28.709 1.00 0.00 O ATOM 1596 CB GLU A 103 -15.780 -6.242 -28.027 1.00 0.00 C ATOM 1597 CG GLU A 103 -14.379 -6.832 -28.027 1.00 0.00 C ATOM 1598 CD GLU A 103 -14.036 -7.521 -29.333 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -13.790 -6.811 -30.331 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -14.014 -8.769 -29.358 1.00 0.00 O ATOM 0 H GLU A 103 -16.415 -7.944 -29.742 1.00 0.00 H new ATOM 0 HA GLU A 103 -16.691 -7.811 -26.875 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -15.952 -5.737 -28.977 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.846 -5.484 -27.246 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.655 -6.039 -27.838 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.290 -7.547 -27.209 1.00 0.00 H new ATOM 1607 N ALA A 104 -18.721 -6.431 -26.474 1.00 0.00 N ATOM 1608 CA ALA A 104 -20.004 -5.782 -26.235 1.00 0.00 C ATOM 1609 C ALA A 104 -19.845 -4.269 -26.143 1.00 0.00 C ATOM 1610 O ALA A 104 -18.728 -3.751 -26.138 1.00 0.00 O ATOM 1611 CB ALA A 104 -20.642 -6.326 -24.964 1.00 0.00 C ATOM 0 H ALA A 104 -18.244 -6.747 -25.629 1.00 0.00 H new ATOM 0 HA ALA A 104 -20.657 -6.002 -27.079 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -21.600 -5.833 -24.798 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -20.800 -7.400 -25.067 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -19.984 -6.136 -24.116 1.00 0.00 H new ATOM 1617 N SER A 105 -20.970 -3.563 -26.073 1.00 0.00 N ATOM 1618 CA SER A 105 -20.955 -2.108 -25.986 1.00 0.00 C ATOM 1619 C SER A 105 -20.383 -1.649 -24.648 1.00 0.00 C ATOM 1620 O SER A 105 -21.115 -1.475 -23.675 1.00 0.00 O ATOM 1621 CB SER A 105 -22.368 -1.551 -26.168 1.00 0.00 C ATOM 1622 OG SER A 105 -22.333 -0.202 -26.603 1.00 0.00 O ATOM 0 H SER A 105 -21.903 -3.976 -26.075 1.00 0.00 H new ATOM 0 HA SER A 105 -20.317 -1.728 -26.783 1.00 0.00 H new ATOM 0 HB2 SER A 105 -22.910 -2.157 -26.894 1.00 0.00 H new ATOM 0 HB3 SER A 105 -22.913 -1.619 -25.226 1.00 0.00 H new ATOM 0 HG SER A 105 -23.248 0.130 -26.713 1.00 0.00 H new ATOM 1628 N GLY A 106 -19.069 -1.454 -24.609 1.00 0.00 N ATOM 1629 CA GLY A 106 -18.420 -1.017 -23.386 1.00 0.00 C ATOM 1630 C GLY A 106 -18.424 0.491 -23.235 1.00 0.00 C ATOM 1631 O GLY A 106 -17.780 1.214 -23.995 1.00 0.00 O ATOM 0 H GLY A 106 -18.442 -1.591 -25.402 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -18.924 -1.466 -22.530 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -17.391 -1.377 -23.375 1.00 0.00 H new ATOM 1635 N PRO A 107 -19.165 0.987 -22.233 1.00 0.00 N ATOM 1636 CA PRO A 107 -19.269 2.424 -21.962 1.00 0.00 C ATOM 1637 C PRO A 107 -17.969 3.007 -21.419 1.00 0.00 C ATOM 1638 O PRO A 107 -17.217 2.327 -20.721 1.00 0.00 O ATOM 1639 CB PRO A 107 -20.374 2.506 -20.906 1.00 0.00 C ATOM 1640 CG PRO A 107 -20.354 1.178 -20.232 1.00 0.00 C ATOM 1641 CD PRO A 107 -19.958 0.183 -21.288 1.00 0.00 C ATOM 0 HA PRO A 107 -19.481 2.995 -22.866 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -20.185 3.312 -20.197 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -21.344 2.704 -21.363 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -19.645 1.171 -19.404 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -21.332 0.937 -19.816 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -19.374 -0.637 -20.869 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -20.830 -0.260 -21.770 1.00 0.00 H new ATOM 1649 N SER A 108 -17.711 4.270 -21.744 1.00 0.00 N ATOM 1650 CA SER A 108 -16.499 4.943 -21.291 1.00 0.00 C ATOM 1651 C SER A 108 -16.406 4.927 -19.768 1.00 0.00 C ATOM 1652 O SER A 108 -17.345 4.526 -19.081 1.00 0.00 O ATOM 1653 CB SER A 108 -16.472 6.386 -21.799 1.00 0.00 C ATOM 1654 OG SER A 108 -17.582 7.119 -21.312 1.00 0.00 O ATOM 0 H SER A 108 -18.325 4.847 -22.319 1.00 0.00 H new ATOM 0 HA SER A 108 -15.641 4.406 -21.696 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.547 6.869 -21.484 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.479 6.391 -22.889 1.00 0.00 H new ATOM 0 HG SER A 108 -17.541 8.038 -21.649 1.00 0.00 H new ATOM 1660 N SER A 109 -15.264 5.366 -19.247 1.00 0.00 N ATOM 1661 CA SER A 109 -15.044 5.399 -17.806 1.00 0.00 C ATOM 1662 C SER A 109 -13.946 6.395 -17.447 1.00 0.00 C ATOM 1663 O SER A 109 -13.296 6.962 -18.323 1.00 0.00 O ATOM 1664 CB SER A 109 -14.673 4.006 -17.293 1.00 0.00 C ATOM 1665 OG SER A 109 -15.830 3.216 -17.080 1.00 0.00 O ATOM 0 H SER A 109 -14.477 5.704 -19.802 1.00 0.00 H new ATOM 0 HA SER A 109 -15.971 5.719 -17.329 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.019 3.512 -18.012 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.113 4.095 -16.362 1.00 0.00 H new ATOM 0 HG SER A 109 -16.576 3.581 -17.601 1.00 0.00 H new ATOM 1671 N GLY A 110 -13.746 6.603 -16.149 1.00 0.00 N ATOM 1672 CA GLY A 110 -12.726 7.530 -15.695 1.00 0.00 C ATOM 1673 C GLY A 110 -13.238 8.953 -15.598 1.00 0.00 C ATOM 1674 O GLY A 110 -14.062 9.351 -16.421 1.00 0.00 O ATOM 0 H GLY A 110 -14.272 6.146 -15.404 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.359 7.212 -14.719 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.879 7.498 -16.380 1.00 0.00 H new TER 1678 GLY A 110 HETATM 1679 ZN ZN A 200 8.213 2.630 9.060 1.00 0.00 ZN HETATM 1680 ZN ZN A 300 17.163 -18.452 -2.497 1.00 0.00 ZN HETATM 1681 ZN ZN A 400 -0.348 -22.538 -11.491 1.00 0.00 ZN