USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1076 hydrogens (28 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 GLN : amide:sc= 0.0961 K(o=0.97,f=-6.3!) USER MOD Set 1.2: A 111 SER OG : rot -159:sc= 0.874 USER MOD Set 2.1: A 65 GLN : amide:sc= -0.392 X(o=-1.3,f=-1.8) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= -0.903 USER MOD Set 3.1: A 29 TYR OH : rot 152:sc= -0.443! USER MOD Set 3.2: A 97 THR OG1 : rot 59:sc= -0.154 USER MOD Set 4.1: A 28 GLN : amide:sc= -0.79 K(o=-0.83,f=-3.1!) USER MOD Set 4.2: A 30 LYS NZ :NH3+ 172:sc= -0.0404 (180deg=-0.141) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.968 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= -0.475 (180deg=-1.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.264 K(o=-0.26,f=-7.1!) USER MOD Single : A 38 SER OG : rot -33:sc= 0.906 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00957 USER MOD Single : A 57 CYS SG : rot -140:sc= -0.801 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -45:sc= 0.017 USER MOD Single : A 69 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.01) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.015 USER MOD Single : A 77 SER OG : rot 57:sc= 0.127 USER MOD Single : A 80 ASN : amide:sc= -1.35 K(o=-1.4,f=-5.2!) USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.859 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 150:sc= -2.56! USER MOD Single : A 89 HIS : no HE2:sc= -0.398 K(o=-0.35,f=-4.3!) USER MOD Single : A 90 GLN : amide:sc= -0.0478 K(o=-0.048,f=-1.2) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= -0.104 (180deg=-0.459) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.7) USER MOD Single : A 117 GLN : amide:sc= -0.0576 K(o=-0.058,f=-3.9!) USER MOD Single : A 122 THR OG1 : rot 33:sc= 0.375 USER MOD Single : A 124 ASN : amide:sc= -0.188 K(o=-0.19,f=-0.94) USER MOD Single : A 125 ASN : amide:sc= 0.405 K(o=0.41,f=-1.3) USER MOD Single : A 126 SER OG : rot 180:sc= -0.102 USER MOD Single : A 127 GLN : amide:sc= -0.0974 K(o=-0.097,f=-1.8!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -157:sc= 0.0655 USER MOD Single : A 300 PBU O3 : rot 160:sc= 0.064 USER MOD Single : A 300 PBU O6 : rot 130:sc= 0.00159 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 10.219 3.512 -4.388 1.00 13.00 N ATOM 2 CA GLY A 2 9.526 3.518 -3.114 1.00 45.03 C ATOM 3 C GLY A 2 8.816 4.830 -2.846 1.00 42.32 C ATOM 4 O GLY A 2 9.170 5.863 -3.414 1.00 31.01 O ATOM 0 HA2 GLY A 2 8.800 2.705 -3.095 1.00 45.03 H new ATOM 0 HA3 GLY A 2 10.241 3.325 -2.314 1.00 45.03 H new ATOM 8 N ALA A 3 7.808 4.791 -1.979 1.00 15.12 N ATOM 9 CA ALA A 3 7.047 5.986 -1.638 1.00 54.34 C ATOM 10 C ALA A 3 6.440 5.871 -0.243 1.00 21.24 C ATOM 11 O ALA A 3 6.637 4.871 0.448 1.00 11.30 O ATOM 12 CB ALA A 3 5.958 6.232 -2.671 1.00 62.23 C ATOM 0 H ALA A 3 7.500 3.944 -1.501 1.00 15.12 H new ATOM 0 HA ALA A 3 7.731 6.835 -1.639 1.00 54.34 H new ATOM 0 HB1 ALA A 3 5.398 7.128 -2.403 1.00 62.23 H new ATOM 0 HB2 ALA A 3 6.412 6.368 -3.653 1.00 62.23 H new ATOM 0 HB3 ALA A 3 5.283 5.377 -2.699 1.00 62.23 H new ATOM 18 N ARG A 4 5.703 6.898 0.163 1.00 3.34 N ATOM 19 CA ARG A 4 5.069 6.913 1.475 1.00 60.42 C ATOM 20 C ARG A 4 3.698 6.245 1.424 1.00 31.10 C ATOM 21 O ARG A 4 3.261 5.781 0.371 1.00 11.42 O ATOM 22 CB ARG A 4 4.930 8.349 1.983 1.00 42.33 C ATOM 23 CG ARG A 4 5.750 8.636 3.231 1.00 11.24 C ATOM 24 CD ARG A 4 5.616 10.087 3.663 1.00 51.35 C ATOM 25 NE ARG A 4 6.690 10.919 3.128 1.00 1.53 N ATOM 26 CZ ARG A 4 6.777 12.229 3.333 1.00 24.21 C ATOM 27 NH1 ARG A 4 5.859 12.852 4.059 1.00 43.02 N ATOM 28 NH2 ARG A 4 7.783 12.918 2.812 1.00 15.33 N ATOM 0 H ARG A 4 5.530 7.732 -0.398 1.00 3.34 H new ATOM 0 HA ARG A 4 5.702 6.352 2.162 1.00 60.42 H new ATOM 0 HB2 ARG A 4 5.234 9.036 1.193 1.00 42.33 H new ATOM 0 HB3 ARG A 4 3.880 8.551 2.194 1.00 42.33 H new ATOM 0 HG2 ARG A 4 5.424 7.983 4.040 1.00 11.24 H new ATOM 0 HG3 ARG A 4 6.798 8.407 3.039 1.00 11.24 H new ATOM 0 HD2 ARG A 4 4.655 10.477 3.329 1.00 51.35 H new ATOM 0 HD3 ARG A 4 5.622 10.143 4.752 1.00 51.35 H new ATOM 0 HE ARG A 4 7.413 10.470 2.566 1.00 1.53 H new ATOM 0 HH11 ARG A 4 5.084 12.326 4.462 1.00 43.02 H new ATOM 0 HH12 ARG A 4 5.928 13.858 4.215 1.00 43.02 H new ATOM 0 HH21 ARG A 4 8.491 12.442 2.253 1.00 15.33 H new ATOM 0 HH22 ARG A 4 7.848 13.924 2.970 1.00 15.33 H new ATOM 42 N ALA A 5 3.024 6.199 2.569 1.00 41.21 N ATOM 43 CA ALA A 5 1.703 5.590 2.654 1.00 60.24 C ATOM 44 C ALA A 5 0.648 6.620 3.042 1.00 41.31 C ATOM 45 O ALA A 5 -0.270 6.325 3.808 1.00 22.22 O ATOM 46 CB ALA A 5 1.715 4.441 3.652 1.00 44.33 C ATOM 0 H ALA A 5 3.372 6.577 3.450 1.00 41.21 H new ATOM 0 HA ALA A 5 1.446 5.199 1.670 1.00 60.24 H new ATOM 0 HB1 ALA A 5 0.722 3.995 3.706 1.00 44.33 H new ATOM 0 HB2 ALA A 5 2.434 3.688 3.331 1.00 44.33 H new ATOM 0 HB3 ALA A 5 1.998 4.816 4.636 1.00 44.33 H new ATOM 52 N SER A 6 0.784 7.830 2.510 1.00 53.33 N ATOM 53 CA SER A 6 -0.155 8.906 2.805 1.00 62.10 C ATOM 54 C SER A 6 -0.645 9.567 1.520 1.00 62.41 C ATOM 55 O SER A 6 -0.161 9.265 0.429 1.00 63.34 O ATOM 56 CB SER A 6 0.501 9.951 3.711 1.00 61.32 C ATOM 57 OG SER A 6 -0.451 10.542 4.579 1.00 72.52 O ATOM 0 H SER A 6 1.536 8.090 1.872 1.00 53.33 H new ATOM 0 HA SER A 6 -1.012 8.475 3.321 1.00 62.10 H new ATOM 0 HB2 SER A 6 1.292 9.484 4.298 1.00 61.32 H new ATOM 0 HB3 SER A 6 0.970 10.723 3.101 1.00 61.32 H new ATOM 0 HG SER A 6 -0.007 11.205 5.149 1.00 72.52 H new ATOM 63 N VAL A 7 -1.609 10.471 1.658 1.00 50.14 N ATOM 64 CA VAL A 7 -2.166 11.177 0.510 1.00 60.32 C ATOM 65 C VAL A 7 -1.319 12.392 0.149 1.00 1.32 C ATOM 66 O VAL A 7 -1.043 12.643 -1.025 1.00 3.34 O ATOM 67 CB VAL A 7 -3.611 11.634 0.779 1.00 4.11 C ATOM 68 CG1 VAL A 7 -4.156 12.410 -0.411 1.00 63.44 C ATOM 69 CG2 VAL A 7 -4.497 10.439 1.097 1.00 40.51 C ATOM 0 H VAL A 7 -2.021 10.732 2.554 1.00 50.14 H new ATOM 0 HA VAL A 7 -2.165 10.476 -0.324 1.00 60.32 H new ATOM 0 HB VAL A 7 -3.609 12.297 1.644 1.00 4.11 H new ATOM 0 HG11 VAL A 7 -5.178 12.725 -0.203 1.00 63.44 H new ATOM 0 HG12 VAL A 7 -3.535 13.288 -0.588 1.00 63.44 H new ATOM 0 HG13 VAL A 7 -4.146 11.774 -1.296 1.00 63.44 H new ATOM 0 HG21 VAL A 7 -5.515 10.780 1.285 1.00 40.51 H new ATOM 0 HG22 VAL A 7 -4.495 9.750 0.253 1.00 40.51 H new ATOM 0 HG23 VAL A 7 -4.117 9.929 1.982 1.00 40.51 H new ATOM 79 N LEU A 8 -0.908 13.143 1.164 1.00 52.25 N ATOM 80 CA LEU A 8 -0.091 14.334 0.954 1.00 21.21 C ATOM 81 C LEU A 8 1.315 14.135 1.513 1.00 3.04 C ATOM 82 O LEU A 8 1.486 13.622 2.619 1.00 13.03 O ATOM 83 CB LEU A 8 -0.746 15.549 1.612 1.00 42.21 C ATOM 84 CG LEU A 8 -2.170 15.873 1.156 1.00 21.13 C ATOM 85 CD1 LEU A 8 -2.638 17.185 1.764 1.00 5.44 C ATOM 86 CD2 LEU A 8 -2.243 15.930 -0.362 1.00 12.24 C ATOM 0 H LEU A 8 -1.127 12.949 2.141 1.00 52.25 H new ATOM 0 HA LEU A 8 -0.015 14.507 -0.119 1.00 21.21 H new ATOM 0 HB2 LEU A 8 -0.758 15.391 2.690 1.00 42.21 H new ATOM 0 HB3 LEU A 8 -0.119 16.421 1.425 1.00 42.21 H new ATOM 0 HG LEU A 8 -2.832 15.079 1.502 1.00 21.13 H new ATOM 0 HD11 LEU A 8 -3.653 17.400 1.429 1.00 5.44 H new ATOM 0 HD12 LEU A 8 -2.624 17.108 2.851 1.00 5.44 H new ATOM 0 HD13 LEU A 8 -1.974 17.990 1.449 1.00 5.44 H new ATOM 0 HD21 LEU A 8 -3.263 16.162 -0.669 1.00 12.24 H new ATOM 0 HD22 LEU A 8 -1.569 16.704 -0.730 1.00 12.24 H new ATOM 0 HD23 LEU A 8 -1.949 14.966 -0.777 1.00 12.24 H new ATOM 98 N SER A 9 2.316 14.545 0.741 1.00 51.23 N ATOM 99 CA SER A 9 3.707 14.411 1.158 1.00 64.11 C ATOM 100 C SER A 9 4.062 15.460 2.207 1.00 74.34 C ATOM 101 O SER A 9 3.187 16.125 2.757 1.00 44.55 O ATOM 102 CB SER A 9 4.638 14.544 -0.048 1.00 31.41 C ATOM 103 OG SER A 9 5.091 15.877 -0.199 1.00 50.33 O ATOM 0 H SER A 9 2.190 14.973 -0.176 1.00 51.23 H new ATOM 0 HA SER A 9 3.835 13.423 1.599 1.00 64.11 H new ATOM 0 HB2 SER A 9 5.492 13.878 0.073 1.00 31.41 H new ATOM 0 HB3 SER A 9 4.115 14.230 -0.951 1.00 31.41 H new ATOM 0 HG SER A 9 5.686 15.934 -0.976 1.00 50.33 H new ATOM 109 N GLY A 10 5.356 15.599 2.479 1.00 52.45 N ATOM 110 CA GLY A 10 5.808 16.568 3.462 1.00 21.32 C ATOM 111 C GLY A 10 5.452 17.991 3.080 1.00 1.14 C ATOM 112 O GLY A 10 4.700 18.662 3.785 1.00 54.03 O ATOM 0 H GLY A 10 6.099 15.058 2.037 1.00 52.45 H new ATOM 0 HA2 GLY A 10 5.365 16.333 4.430 1.00 21.32 H new ATOM 0 HA3 GLY A 10 6.889 16.486 3.578 1.00 21.32 H new ATOM 116 N GLY A 11 5.994 18.454 1.957 1.00 11.14 N ATOM 117 CA GLY A 11 5.720 19.804 1.502 1.00 42.21 C ATOM 118 C GLY A 11 4.242 20.046 1.265 1.00 1.50 C ATOM 119 O GLY A 11 3.753 21.161 1.447 1.00 42.54 O ATOM 0 H GLY A 11 6.618 17.917 1.355 1.00 11.14 H new ATOM 0 HA2 GLY A 11 6.088 20.515 2.242 1.00 42.21 H new ATOM 0 HA3 GLY A 11 6.269 19.992 0.579 1.00 42.21 H new ATOM 123 N GLU A 12 3.530 19.001 0.857 1.00 30.03 N ATOM 124 CA GLU A 12 2.100 19.108 0.592 1.00 62.41 C ATOM 125 C GLU A 12 1.311 19.202 1.896 1.00 31.33 C ATOM 126 O GLU A 12 0.337 19.949 1.992 1.00 71.41 O ATOM 127 CB GLU A 12 1.619 17.905 -0.223 1.00 45.14 C ATOM 128 CG GLU A 12 2.500 17.587 -1.418 1.00 32.00 C ATOM 129 CD GLU A 12 1.842 16.628 -2.390 1.00 72.45 C ATOM 130 OE1 GLU A 12 1.602 15.465 -2.002 1.00 22.15 O ATOM 131 OE2 GLU A 12 1.568 17.038 -3.537 1.00 74.25 O ATOM 0 H GLU A 12 3.919 18.071 0.703 1.00 30.03 H new ATOM 0 HA GLU A 12 1.929 20.019 0.018 1.00 62.41 H new ATOM 0 HB2 GLU A 12 1.574 17.031 0.427 1.00 45.14 H new ATOM 0 HB3 GLU A 12 0.604 18.096 -0.571 1.00 45.14 H new ATOM 0 HG2 GLU A 12 2.748 18.512 -1.938 1.00 32.00 H new ATOM 0 HG3 GLU A 12 3.438 17.157 -1.068 1.00 32.00 H new ATOM 138 N LEU A 13 1.739 18.439 2.895 1.00 41.15 N ATOM 139 CA LEU A 13 1.074 18.435 4.194 1.00 22.41 C ATOM 140 C LEU A 13 1.044 19.836 4.795 1.00 21.32 C ATOM 141 O LEU A 13 -0.009 20.323 5.207 1.00 63.21 O ATOM 142 CB LEU A 13 1.782 17.472 5.149 1.00 32.12 C ATOM 143 CG LEU A 13 0.982 17.036 6.377 1.00 33.12 C ATOM 144 CD1 LEU A 13 1.722 15.946 7.136 1.00 74.30 C ATOM 145 CD2 LEU A 13 0.707 18.227 7.285 1.00 32.15 C ATOM 0 H LEU A 13 2.543 17.815 2.831 1.00 41.15 H new ATOM 0 HA LEU A 13 0.047 18.101 4.047 1.00 22.41 H new ATOM 0 HB2 LEU A 13 2.066 16.581 4.590 1.00 32.12 H new ATOM 0 HB3 LEU A 13 2.705 17.942 5.489 1.00 32.12 H new ATOM 0 HG LEU A 13 0.027 16.632 6.040 1.00 33.12 H new ATOM 0 HD11 LEU A 13 1.138 15.648 8.007 1.00 74.30 H new ATOM 0 HD12 LEU A 13 1.868 15.084 6.485 1.00 74.30 H new ATOM 0 HD13 LEU A 13 2.692 16.323 7.461 1.00 74.30 H new ATOM 0 HD21 LEU A 13 0.137 17.898 8.154 1.00 32.15 H new ATOM 0 HD22 LEU A 13 1.652 18.660 7.614 1.00 32.15 H new ATOM 0 HD23 LEU A 13 0.135 18.977 6.738 1.00 32.15 H new ATOM 157 N ASP A 14 2.204 20.480 4.839 1.00 35.02 N ATOM 158 CA ASP A 14 2.312 21.827 5.386 1.00 43.11 C ATOM 159 C ASP A 14 1.385 22.789 4.648 1.00 1.01 C ATOM 160 O ASP A 14 0.545 23.450 5.258 1.00 53.11 O ATOM 161 CB ASP A 14 3.756 22.323 5.298 1.00 51.10 C ATOM 162 CG ASP A 14 3.950 23.664 5.979 1.00 10.30 C ATOM 163 OD1 ASP A 14 3.638 24.698 5.353 1.00 11.41 O ATOM 164 OD2 ASP A 14 4.413 23.679 7.139 1.00 53.34 O ATOM 0 H ASP A 14 3.084 20.091 4.502 1.00 35.02 H new ATOM 0 HA ASP A 14 2.012 21.792 6.433 1.00 43.11 H new ATOM 0 HB2 ASP A 14 4.418 21.588 5.755 1.00 51.10 H new ATOM 0 HB3 ASP A 14 4.046 22.405 4.250 1.00 51.10 H new ATOM 169 N LYS A 15 1.544 22.862 3.331 1.00 21.14 N ATOM 170 CA LYS A 15 0.723 23.742 2.508 1.00 51.11 C ATOM 171 C LYS A 15 -0.754 23.376 2.626 1.00 31.32 C ATOM 172 O LYS A 15 -1.629 24.222 2.442 1.00 52.33 O ATOM 173 CB LYS A 15 1.163 23.663 1.044 1.00 11.10 C ATOM 174 CG LYS A 15 2.126 24.765 0.639 1.00 34.12 C ATOM 175 CD LYS A 15 3.493 24.571 1.273 1.00 40.44 C ATOM 176 CE LYS A 15 4.413 25.748 0.984 1.00 73.43 C ATOM 177 NZ LYS A 15 5.339 25.462 -0.147 1.00 55.14 N ATOM 0 H LYS A 15 2.235 22.322 2.810 1.00 21.14 H new ATOM 0 HA LYS A 15 0.857 24.763 2.867 1.00 51.11 H new ATOM 0 HB2 LYS A 15 1.635 22.696 0.867 1.00 11.10 H new ATOM 0 HB3 LYS A 15 0.281 23.710 0.405 1.00 11.10 H new ATOM 0 HG2 LYS A 15 2.226 24.781 -0.446 1.00 34.12 H new ATOM 0 HG3 LYS A 15 1.720 25.732 0.936 1.00 34.12 H new ATOM 0 HD2 LYS A 15 3.382 24.451 2.351 1.00 40.44 H new ATOM 0 HD3 LYS A 15 3.944 23.654 0.895 1.00 40.44 H new ATOM 0 HE2 LYS A 15 3.814 26.628 0.750 1.00 73.43 H new ATOM 0 HE3 LYS A 15 4.992 25.985 1.877 1.00 73.43 H new ATOM 0 HZ1 LYS A 15 5.949 26.288 -0.313 1.00 55.14 H new ATOM 0 HZ2 LYS A 15 5.928 24.637 0.087 1.00 55.14 H new ATOM 0 HZ3 LYS A 15 4.787 25.261 -1.005 1.00 55.14 H new ATOM 191 N TRP A 16 -1.022 22.113 2.935 1.00 75.44 N ATOM 192 CA TRP A 16 -2.393 21.636 3.080 1.00 15.12 C ATOM 193 C TRP A 16 -3.044 22.222 4.328 1.00 23.04 C ATOM 194 O TRP A 16 -4.186 22.679 4.285 1.00 54.53 O ATOM 195 CB TRP A 16 -2.419 20.109 3.145 1.00 62.41 C ATOM 196 CG TRP A 16 -3.744 19.556 3.578 1.00 35.52 C ATOM 197 CD1 TRP A 16 -4.082 19.125 4.829 1.00 22.51 C ATOM 198 CD2 TRP A 16 -4.904 19.371 2.760 1.00 3.33 C ATOM 199 NE1 TRP A 16 -5.384 18.685 4.837 1.00 73.23 N ATOM 200 CE2 TRP A 16 -5.910 18.827 3.581 1.00 20.43 C ATOM 201 CE3 TRP A 16 -5.192 19.617 1.415 1.00 3.43 C ATOM 202 CZ2 TRP A 16 -7.180 18.522 3.098 1.00 44.33 C ATOM 203 CZ3 TRP A 16 -6.454 19.314 0.938 1.00 13.22 C ATOM 204 CH2 TRP A 16 -7.435 18.772 1.778 1.00 34.12 C ATOM 0 H TRP A 16 -0.309 21.400 3.090 1.00 75.44 H new ATOM 0 HA TRP A 16 -2.960 21.965 2.209 1.00 15.12 H new ATOM 0 HB2 TRP A 16 -2.168 19.706 2.164 1.00 62.41 H new ATOM 0 HB3 TRP A 16 -1.648 19.769 3.836 1.00 62.41 H new ATOM 0 HD1 TRP A 16 -3.424 19.129 5.685 1.00 22.51 H new ATOM 0 HE1 TRP A 16 -5.879 18.313 5.648 1.00 73.23 H new ATOM 0 HE3 TRP A 16 -4.443 20.036 0.760 1.00 3.43 H new ATOM 0 HZ2 TRP A 16 -7.937 18.103 3.744 1.00 44.33 H new ATOM 0 HZ3 TRP A 16 -6.687 19.498 -0.100 1.00 13.22 H new ATOM 0 HH2 TRP A 16 -8.412 18.547 1.375 1.00 34.12 H new ATOM 215 N GLU A 17 -2.311 22.205 5.436 1.00 1.42 N ATOM 216 CA GLU A 17 -2.819 22.735 6.696 1.00 25.03 C ATOM 217 C GLU A 17 -3.048 24.241 6.600 1.00 0.13 C ATOM 218 O GLU A 17 -3.748 24.829 7.426 1.00 34.12 O ATOM 219 CB GLU A 17 -1.845 22.427 7.834 1.00 45.54 C ATOM 220 CG GLU A 17 -2.070 21.070 8.478 1.00 13.10 C ATOM 221 CD GLU A 17 -1.692 21.051 9.946 1.00 62.21 C ATOM 222 OE1 GLU A 17 -0.827 21.856 10.346 1.00 54.52 O ATOM 223 OE2 GLU A 17 -2.262 20.229 10.695 1.00 12.12 O ATOM 0 H GLU A 17 -1.364 21.830 5.487 1.00 1.42 H new ATOM 0 HA GLU A 17 -3.774 22.253 6.905 1.00 25.03 H new ATOM 0 HB2 GLU A 17 -0.826 22.473 7.451 1.00 45.54 H new ATOM 0 HB3 GLU A 17 -1.934 23.201 8.597 1.00 45.54 H new ATOM 0 HG2 GLU A 17 -3.119 20.792 8.373 1.00 13.10 H new ATOM 0 HG3 GLU A 17 -1.486 20.319 7.947 1.00 13.10 H new ATOM 230 N LYS A 18 -2.452 24.861 5.586 1.00 61.15 N ATOM 231 CA LYS A 18 -2.590 26.298 5.380 1.00 64.31 C ATOM 232 C LYS A 18 -4.000 26.647 4.916 1.00 5.41 C ATOM 233 O LYS A 18 -4.746 27.326 5.623 1.00 42.22 O ATOM 234 CB LYS A 18 -1.568 26.786 4.352 1.00 14.21 C ATOM 235 CG LYS A 18 -0.787 28.008 4.804 1.00 73.42 C ATOM 236 CD LYS A 18 -1.365 29.286 4.222 1.00 51.01 C ATOM 237 CE LYS A 18 -0.893 30.512 4.990 1.00 24.42 C ATOM 238 NZ LYS A 18 -1.962 31.061 5.870 1.00 1.14 N ATOM 0 H LYS A 18 -1.869 24.390 4.894 1.00 61.15 H new ATOM 0 HA LYS A 18 -2.406 26.797 6.332 1.00 64.31 H new ATOM 0 HB2 LYS A 18 -0.869 25.978 4.135 1.00 14.21 H new ATOM 0 HB3 LYS A 18 -2.085 27.019 3.421 1.00 14.21 H new ATOM 0 HG2 LYS A 18 -0.798 28.066 5.892 1.00 73.42 H new ATOM 0 HG3 LYS A 18 0.255 27.908 4.500 1.00 73.42 H new ATOM 0 HD2 LYS A 18 -1.072 29.376 3.176 1.00 51.01 H new ATOM 0 HD3 LYS A 18 -2.454 29.238 4.245 1.00 51.01 H new ATOM 0 HE2 LYS A 18 -0.024 30.250 5.594 1.00 24.42 H new ATOM 0 HE3 LYS A 18 -0.572 31.280 4.286 1.00 24.42 H new ATOM 0 HZ1 LYS A 18 -1.601 31.895 6.376 1.00 1.14 H new ATOM 0 HZ2 LYS A 18 -2.782 31.335 5.291 1.00 1.14 H new ATOM 0 HZ3 LYS A 18 -2.251 30.337 6.558 1.00 1.14 H new ATOM 252 N ILE A 19 -4.359 26.181 3.725 1.00 31.41 N ATOM 253 CA ILE A 19 -5.681 26.444 3.169 1.00 64.43 C ATOM 254 C ILE A 19 -6.772 26.203 4.207 1.00 54.52 C ATOM 255 O ILE A 19 -6.648 25.324 5.061 1.00 1.43 O ATOM 256 CB ILE A 19 -5.959 25.563 1.937 1.00 32.53 C ATOM 257 CG1 ILE A 19 -4.845 25.731 0.901 1.00 1.14 C ATOM 258 CG2 ILE A 19 -7.310 25.909 1.331 1.00 21.11 C ATOM 259 CD1 ILE A 19 -4.335 24.421 0.342 1.00 42.24 C ATOM 0 H ILE A 19 -3.753 25.620 3.126 1.00 31.41 H new ATOM 0 HA ILE A 19 -5.693 27.491 2.868 1.00 64.43 H new ATOM 0 HB ILE A 19 -5.982 24.520 2.253 1.00 32.53 H new ATOM 0 HG12 ILE A 19 -5.213 26.348 0.081 1.00 1.14 H new ATOM 0 HG13 ILE A 19 -4.014 26.270 1.357 1.00 1.14 H new ATOM 0 HG21 ILE A 19 -7.491 25.277 0.461 1.00 21.11 H new ATOM 0 HG22 ILE A 19 -8.094 25.742 2.070 1.00 21.11 H new ATOM 0 HG23 ILE A 19 -7.315 26.956 1.027 1.00 21.11 H new ATOM 0 HD11 ILE A 19 -3.548 24.618 -0.386 1.00 42.24 H new ATOM 0 HD12 ILE A 19 -3.936 23.810 1.152 1.00 42.24 H new ATOM 0 HD13 ILE A 19 -5.153 23.890 -0.144 1.00 42.24 H new ATOM 271 N ARG A 20 -7.841 26.990 4.127 1.00 75.55 N ATOM 272 CA ARG A 20 -8.954 26.863 5.060 1.00 23.30 C ATOM 273 C ARG A 20 -10.272 26.686 4.312 1.00 31.43 C ATOM 274 O ARG A 20 -10.404 27.099 3.158 1.00 50.32 O ATOM 275 CB ARG A 20 -9.030 28.092 5.966 1.00 5.41 C ATOM 276 CG ARG A 20 -7.709 28.443 6.631 1.00 34.30 C ATOM 277 CD ARG A 20 -7.099 29.699 6.029 1.00 41.33 C ATOM 278 NE ARG A 20 -6.296 30.436 7.002 1.00 20.24 N ATOM 279 CZ ARG A 20 -6.811 31.262 7.905 1.00 70.33 C ATOM 280 NH1 ARG A 20 -8.121 31.453 7.962 1.00 41.40 N ATOM 281 NH2 ARG A 20 -6.014 31.896 8.756 1.00 51.53 N ATOM 0 H ARG A 20 -7.959 27.722 3.426 1.00 75.55 H new ATOM 0 HA ARG A 20 -8.783 25.978 5.674 1.00 23.30 H new ATOM 0 HB2 ARG A 20 -9.369 28.945 5.378 1.00 5.41 H new ATOM 0 HB3 ARG A 20 -9.780 27.918 6.737 1.00 5.41 H new ATOM 0 HG2 ARG A 20 -7.866 28.590 7.700 1.00 34.30 H new ATOM 0 HG3 ARG A 20 -7.013 27.611 6.522 1.00 34.30 H new ATOM 0 HD2 ARG A 20 -6.477 29.427 5.176 1.00 41.33 H new ATOM 0 HD3 ARG A 20 -7.893 30.343 5.652 1.00 41.33 H new ATOM 0 HE ARG A 20 -5.284 30.309 6.987 1.00 20.24 H new ATOM 0 HH11 ARG A 20 -8.736 30.965 7.311 1.00 41.40 H new ATOM 0 HH12 ARG A 20 -8.514 32.088 8.657 1.00 41.40 H new ATOM 0 HH21 ARG A 20 -5.005 31.749 8.716 1.00 51.53 H new ATOM 0 HH22 ARG A 20 -6.410 32.530 9.450 1.00 51.53 H new ATOM 295 N LEU A 21 -11.245 26.069 4.974 1.00 54.13 N ATOM 296 CA LEU A 21 -12.553 25.837 4.372 1.00 54.53 C ATOM 297 C LEU A 21 -13.191 27.151 3.933 1.00 21.03 C ATOM 298 O LEU A 21 -13.848 27.217 2.894 1.00 70.32 O ATOM 299 CB LEU A 21 -13.470 25.117 5.361 1.00 44.41 C ATOM 300 CG LEU A 21 -12.896 23.862 6.019 1.00 22.33 C ATOM 301 CD1 LEU A 21 -13.837 23.344 7.095 1.00 51.53 C ATOM 302 CD2 LEU A 21 -12.635 22.786 4.975 1.00 0.32 C ATOM 0 H LEU A 21 -11.152 25.720 5.928 1.00 54.13 H new ATOM 0 HA LEU A 21 -12.415 25.210 3.491 1.00 54.53 H new ATOM 0 HB2 LEU A 21 -13.747 25.820 6.146 1.00 44.41 H new ATOM 0 HB3 LEU A 21 -14.388 24.843 4.841 1.00 44.41 H new ATOM 0 HG LEU A 21 -11.948 24.123 6.490 1.00 22.33 H new ATOM 0 HD11 LEU A 21 -13.411 22.451 7.552 1.00 51.53 H new ATOM 0 HD12 LEU A 21 -13.975 24.111 7.858 1.00 51.53 H new ATOM 0 HD13 LEU A 21 -14.801 23.099 6.648 1.00 51.53 H new ATOM 0 HD21 LEU A 21 -12.227 21.900 5.460 1.00 0.32 H new ATOM 0 HD22 LEU A 21 -13.569 22.529 4.476 1.00 0.32 H new ATOM 0 HD23 LEU A 21 -11.922 23.158 4.240 1.00 0.32 H new ATOM 314 N ARG A 22 -12.990 28.196 4.729 1.00 42.15 N ATOM 315 CA ARG A 22 -13.545 29.509 4.422 1.00 32.50 C ATOM 316 C ARG A 22 -12.436 30.547 4.276 1.00 64.13 C ATOM 317 O ARG A 22 -11.371 30.443 4.884 1.00 43.40 O ATOM 318 CB ARG A 22 -14.523 29.941 5.517 1.00 12.54 C ATOM 319 CG ARG A 22 -15.983 29.771 5.131 1.00 62.23 C ATOM 320 CD ARG A 22 -16.323 28.311 4.870 1.00 3.13 C ATOM 321 NE ARG A 22 -17.590 28.163 4.160 1.00 42.32 N ATOM 322 CZ ARG A 22 -17.886 27.120 3.392 1.00 51.45 C ATOM 323 NH1 ARG A 22 -17.009 26.138 3.238 1.00 53.21 N ATOM 324 NH2 ARG A 22 -19.061 27.057 2.780 1.00 14.44 N ATOM 0 H ARG A 22 -12.447 28.159 5.592 1.00 42.15 H new ATOM 0 HA ARG A 22 -14.079 29.438 3.475 1.00 32.50 H new ATOM 0 HB2 ARG A 22 -14.325 29.362 6.419 1.00 12.54 H new ATOM 0 HB3 ARG A 22 -14.340 30.987 5.763 1.00 12.54 H new ATOM 0 HG2 ARG A 22 -16.619 30.157 5.928 1.00 62.23 H new ATOM 0 HG3 ARG A 22 -16.196 30.361 4.239 1.00 62.23 H new ATOM 0 HD2 ARG A 22 -15.525 27.852 4.287 1.00 3.13 H new ATOM 0 HD3 ARG A 22 -16.374 27.776 5.818 1.00 3.13 H new ATOM 0 HE ARG A 22 -18.287 28.901 4.259 1.00 42.32 H new ATOM 0 HH11 ARG A 22 -16.106 26.182 3.709 1.00 53.21 H new ATOM 0 HH12 ARG A 22 -17.238 25.338 2.648 1.00 53.21 H new ATOM 0 HH21 ARG A 22 -19.739 27.810 2.899 1.00 14.44 H new ATOM 0 HH22 ARG A 22 -19.287 26.256 2.191 1.00 14.44 H new ATOM 338 N PRO A 23 -12.691 31.573 3.450 1.00 51.13 N ATOM 339 CA PRO A 23 -11.727 32.650 3.205 1.00 22.03 C ATOM 340 C PRO A 23 -11.540 33.549 4.422 1.00 74.33 C ATOM 341 O PRO A 23 -10.451 34.069 4.659 1.00 51.45 O ATOM 342 CB PRO A 23 -12.359 33.435 2.052 1.00 73.42 C ATOM 343 CG PRO A 23 -13.819 33.163 2.164 1.00 23.14 C ATOM 344 CD PRO A 23 -13.940 31.761 2.693 1.00 70.50 C ATOM 0 HA PRO A 23 -10.732 32.264 2.982 1.00 22.03 H new ATOM 0 HB2 PRO A 23 -12.147 34.501 2.136 1.00 73.42 H new ATOM 0 HB3 PRO A 23 -11.968 33.107 1.089 1.00 73.42 H new ATOM 0 HG2 PRO A 23 -14.298 33.876 2.835 1.00 23.14 H new ATOM 0 HG3 PRO A 23 -14.309 33.258 1.195 1.00 23.14 H new ATOM 0 HD2 PRO A 23 -14.817 31.646 3.330 1.00 70.50 H new ATOM 0 HD3 PRO A 23 -14.034 31.034 1.886 1.00 70.50 H new ATOM 352 N GLY A 24 -12.610 33.726 5.192 1.00 40.11 N ATOM 353 CA GLY A 24 -12.541 34.562 6.376 1.00 12.35 C ATOM 354 C GLY A 24 -12.461 33.751 7.654 1.00 40.54 C ATOM 355 O GLY A 24 -11.790 34.147 8.607 1.00 33.05 O ATOM 0 H GLY A 24 -13.523 33.305 5.017 1.00 40.11 H new ATOM 0 HA2 GLY A 24 -11.669 35.213 6.307 1.00 12.35 H new ATOM 0 HA3 GLY A 24 -13.419 35.207 6.413 1.00 12.35 H new ATOM 359 N GLY A 25 -13.149 32.615 7.676 1.00 64.54 N ATOM 360 CA GLY A 25 -13.141 31.765 8.853 1.00 52.12 C ATOM 361 C GLY A 25 -11.737 31.466 9.342 1.00 22.42 C ATOM 362 O GLY A 25 -10.771 32.081 8.894 1.00 21.52 O ATOM 0 H GLY A 25 -13.712 32.267 6.900 1.00 64.54 H new ATOM 0 HA2 GLY A 25 -13.705 32.249 9.651 1.00 52.12 H new ATOM 0 HA3 GLY A 25 -13.650 30.829 8.625 1.00 52.12 H new ATOM 366 N LYS A 26 -11.625 30.517 10.266 1.00 40.11 N ATOM 367 CA LYS A 26 -10.330 30.136 10.818 1.00 4.23 C ATOM 368 C LYS A 26 -10.157 28.620 10.802 1.00 0.22 C ATOM 369 O LYS A 26 -9.153 28.094 11.284 1.00 4.32 O ATOM 370 CB LYS A 26 -10.187 30.661 12.248 1.00 35.14 C ATOM 371 CG LYS A 26 -9.926 32.156 12.324 1.00 24.35 C ATOM 372 CD LYS A 26 -8.523 32.452 12.825 1.00 12.22 C ATOM 373 CE LYS A 26 -8.375 32.114 14.300 1.00 70.25 C ATOM 374 NZ LYS A 26 -7.143 32.711 14.885 1.00 55.03 N ATOM 0 H LYS A 26 -12.415 29.998 10.648 1.00 40.11 H new ATOM 0 HA LYS A 26 -9.553 30.580 10.196 1.00 4.23 H new ATOM 0 HB2 LYS A 26 -11.096 30.431 12.803 1.00 35.14 H new ATOM 0 HB3 LYS A 26 -9.370 30.133 12.740 1.00 35.14 H new ATOM 0 HG2 LYS A 26 -10.063 32.601 11.338 1.00 24.35 H new ATOM 0 HG3 LYS A 26 -10.656 32.620 12.987 1.00 24.35 H new ATOM 0 HD2 LYS A 26 -7.800 31.879 12.245 1.00 12.22 H new ATOM 0 HD3 LYS A 26 -8.294 33.506 12.667 1.00 12.22 H new ATOM 0 HE2 LYS A 26 -9.247 32.475 14.845 1.00 70.25 H new ATOM 0 HE3 LYS A 26 -8.348 31.031 14.424 1.00 70.25 H new ATOM 0 HZ1 LYS A 26 -7.079 32.458 15.892 1.00 55.03 H new ATOM 0 HZ2 LYS A 26 -6.308 32.347 14.382 1.00 55.03 H new ATOM 0 HZ3 LYS A 26 -7.180 33.746 14.790 1.00 55.03 H new ATOM 388 N LYS A 27 -11.140 27.923 10.244 1.00 11.34 N ATOM 389 CA LYS A 27 -11.096 26.467 10.162 1.00 44.32 C ATOM 390 C LYS A 27 -10.201 26.014 9.013 1.00 41.05 C ATOM 391 O LYS A 27 -10.665 25.833 7.888 1.00 21.22 O ATOM 392 CB LYS A 27 -12.507 25.904 9.977 1.00 34.21 C ATOM 393 CG LYS A 27 -12.721 24.564 10.660 1.00 64.11 C ATOM 394 CD LYS A 27 -14.163 24.101 10.539 1.00 13.33 C ATOM 395 CE LYS A 27 -14.281 22.595 10.712 1.00 73.51 C ATOM 396 NZ LYS A 27 -15.456 22.222 11.548 1.00 34.11 N ATOM 0 H LYS A 27 -11.978 28.342 9.841 1.00 11.34 H new ATOM 0 HA LYS A 27 -10.679 26.087 11.095 1.00 44.32 H new ATOM 0 HB2 LYS A 27 -13.229 26.621 10.367 1.00 34.21 H new ATOM 0 HB3 LYS A 27 -12.709 25.796 8.911 1.00 34.21 H new ATOM 0 HG2 LYS A 27 -12.060 23.819 10.217 1.00 64.11 H new ATOM 0 HG3 LYS A 27 -12.451 24.644 11.713 1.00 64.11 H new ATOM 0 HD2 LYS A 27 -14.772 24.603 11.291 1.00 13.33 H new ATOM 0 HD3 LYS A 27 -14.558 24.388 9.565 1.00 13.33 H new ATOM 0 HE2 LYS A 27 -14.367 22.123 9.733 1.00 73.51 H new ATOM 0 HE3 LYS A 27 -13.371 22.210 11.172 1.00 73.51 H new ATOM 0 HZ1 LYS A 27 -15.768 21.262 11.299 1.00 34.11 H new ATOM 0 HZ2 LYS A 27 -15.190 22.250 12.553 1.00 34.11 H new ATOM 0 HZ3 LYS A 27 -16.231 22.894 11.376 1.00 34.11 H new ATOM 410 N GLN A 28 -8.917 25.832 9.306 1.00 63.31 N ATOM 411 CA GLN A 28 -7.958 25.398 8.296 1.00 43.14 C ATOM 412 C GLN A 28 -8.196 23.942 7.910 1.00 62.05 C ATOM 413 O GLN A 28 -9.042 23.264 8.494 1.00 60.11 O ATOM 414 CB GLN A 28 -6.530 25.575 8.812 1.00 75.31 C ATOM 415 CG GLN A 28 -6.311 26.877 9.565 1.00 35.22 C ATOM 416 CD GLN A 28 -6.407 26.706 11.067 1.00 63.43 C ATOM 417 OE1 GLN A 28 -6.806 25.650 11.559 1.00 32.50 O ATOM 418 NE2 GLN A 28 -6.043 27.747 11.807 1.00 65.41 N ATOM 0 H GLN A 28 -8.517 25.978 10.233 1.00 63.31 H new ATOM 0 HA GLN A 28 -8.096 26.016 7.409 1.00 43.14 H new ATOM 0 HB2 GLN A 28 -6.284 24.740 9.468 1.00 75.31 H new ATOM 0 HB3 GLN A 28 -5.840 25.532 7.969 1.00 75.31 H new ATOM 0 HG2 GLN A 28 -5.330 27.278 9.311 1.00 35.22 H new ATOM 0 HG3 GLN A 28 -7.049 27.609 9.239 1.00 35.22 H new ATOM 0 HE21 GLN A 28 -5.718 28.603 11.358 1.00 65.41 H new ATOM 0 HE22 GLN A 28 -6.088 27.690 12.824 1.00 65.41 H new ATOM 427 N TYR A 29 -7.445 23.468 6.923 1.00 31.32 N ATOM 428 CA TYR A 29 -7.576 22.092 6.456 1.00 11.15 C ATOM 429 C TYR A 29 -6.726 21.148 7.299 1.00 73.35 C ATOM 430 O TYR A 29 -5.618 21.491 7.712 1.00 35.21 O ATOM 431 CB TYR A 29 -7.167 21.989 4.985 1.00 41.21 C ATOM 432 CG TYR A 29 -8.332 22.066 4.025 1.00 64.14 C ATOM 433 CD1 TYR A 29 -9.252 21.028 3.935 1.00 12.34 C ATOM 434 CD2 TYR A 29 -8.514 23.175 3.209 1.00 52.30 C ATOM 435 CE1 TYR A 29 -10.318 21.094 3.059 1.00 43.11 C ATOM 436 CE2 TYR A 29 -9.578 23.250 2.331 1.00 52.31 C ATOM 437 CZ TYR A 29 -10.478 22.206 2.260 1.00 52.22 C ATOM 438 OH TYR A 29 -11.538 22.276 1.386 1.00 5.31 O ATOM 0 H TYR A 29 -6.739 24.015 6.430 1.00 31.32 H new ATOM 0 HA TYR A 29 -8.621 21.799 6.557 1.00 11.15 H new ATOM 0 HB2 TYR A 29 -6.464 22.790 4.755 1.00 41.21 H new ATOM 0 HB3 TYR A 29 -6.640 21.048 4.828 1.00 41.21 H new ATOM 0 HD1 TYR A 29 -9.131 20.156 4.560 1.00 12.34 H new ATOM 0 HD2 TYR A 29 -7.811 23.993 3.262 1.00 52.30 H new ATOM 0 HE1 TYR A 29 -11.023 20.278 3.000 1.00 43.11 H new ATOM 0 HE2 TYR A 29 -9.705 24.120 1.704 1.00 52.31 H new ATOM 0 HH TYR A 29 -11.779 23.214 1.239 1.00 5.31 H new ATOM 448 N LYS A 30 -7.252 19.954 7.551 1.00 62.22 N ATOM 449 CA LYS A 30 -6.544 18.956 8.343 1.00 52.55 C ATOM 450 C LYS A 30 -6.729 17.561 7.754 1.00 50.23 C ATOM 451 O LYS A 30 -7.561 17.356 6.870 1.00 31.30 O ATOM 452 CB LYS A 30 -7.038 18.980 9.792 1.00 22.42 C ATOM 453 CG LYS A 30 -5.920 19.087 10.814 1.00 44.55 C ATOM 454 CD LYS A 30 -6.389 19.786 12.080 1.00 74.32 C ATOM 455 CE LYS A 30 -6.039 21.267 12.061 1.00 64.21 C ATOM 456 NZ LYS A 30 -6.944 22.037 11.164 1.00 30.03 N ATOM 0 H LYS A 30 -8.168 19.654 7.217 1.00 62.22 H new ATOM 0 HA LYS A 30 -5.482 19.201 8.324 1.00 52.55 H new ATOM 0 HB2 LYS A 30 -7.719 19.822 9.921 1.00 22.42 H new ATOM 0 HB3 LYS A 30 -7.611 18.074 9.987 1.00 22.42 H new ATOM 0 HG2 LYS A 30 -5.555 18.090 11.061 1.00 44.55 H new ATOM 0 HG3 LYS A 30 -5.083 19.636 10.383 1.00 44.55 H new ATOM 0 HD2 LYS A 30 -7.467 19.667 12.184 1.00 74.32 H new ATOM 0 HD3 LYS A 30 -5.931 19.314 12.949 1.00 74.32 H new ATOM 0 HE2 LYS A 30 -6.102 21.668 13.072 1.00 64.21 H new ATOM 0 HE3 LYS A 30 -5.008 21.393 11.732 1.00 64.21 H new ATOM 0 HZ1 LYS A 30 -6.764 23.055 11.280 1.00 30.03 H new ATOM 0 HZ2 LYS A 30 -6.768 21.764 10.176 1.00 30.03 H new ATOM 0 HZ3 LYS A 30 -7.933 21.830 11.409 1.00 30.03 H new ATOM 470 N LEU A 31 -5.949 16.606 8.250 1.00 11.52 N ATOM 471 CA LEU A 31 -6.028 15.230 7.774 1.00 2.23 C ATOM 472 C LEU A 31 -7.471 14.733 7.781 1.00 14.33 C ATOM 473 O LEU A 31 -7.884 13.981 6.898 1.00 61.53 O ATOM 474 CB LEU A 31 -5.159 14.318 8.641 1.00 61.10 C ATOM 475 CG LEU A 31 -3.789 13.954 8.067 1.00 44.15 C ATOM 476 CD1 LEU A 31 -3.943 13.120 6.806 1.00 22.51 C ATOM 477 CD2 LEU A 31 -2.979 15.210 7.783 1.00 55.24 C ATOM 0 H LEU A 31 -5.255 16.760 8.981 1.00 11.52 H new ATOM 0 HA LEU A 31 -5.659 15.205 6.749 1.00 2.23 H new ATOM 0 HB2 LEU A 31 -5.010 14.802 9.606 1.00 61.10 H new ATOM 0 HB3 LEU A 31 -5.709 13.396 8.828 1.00 61.10 H new ATOM 0 HG LEU A 31 -3.253 13.360 8.807 1.00 44.15 H new ATOM 0 HD11 LEU A 31 -2.958 12.871 6.412 1.00 22.51 H new ATOM 0 HD12 LEU A 31 -4.483 12.203 7.040 1.00 22.51 H new ATOM 0 HD13 LEU A 31 -4.499 13.688 6.060 1.00 22.51 H new ATOM 0 HD21 LEU A 31 -2.007 14.932 7.375 1.00 55.24 H new ATOM 0 HD22 LEU A 31 -3.511 15.831 7.062 1.00 55.24 H new ATOM 0 HD23 LEU A 31 -2.838 15.769 8.708 1.00 55.24 H new ATOM 489 N LYS A 32 -8.233 15.162 8.781 1.00 4.23 N ATOM 490 CA LYS A 32 -9.631 14.765 8.902 1.00 1.05 C ATOM 491 C LYS A 32 -10.363 14.938 7.575 1.00 61.33 C ATOM 492 O LYS A 32 -11.018 14.013 7.091 1.00 45.44 O ATOM 493 CB LYS A 32 -10.324 15.589 9.990 1.00 20.34 C ATOM 494 CG LYS A 32 -10.402 14.881 11.332 1.00 12.12 C ATOM 495 CD LYS A 32 -11.052 15.758 12.388 1.00 51.32 C ATOM 496 CE LYS A 32 -10.077 16.794 12.929 1.00 4.21 C ATOM 497 NZ LYS A 32 -10.516 18.183 12.619 1.00 64.24 N ATOM 0 H LYS A 32 -7.906 15.785 9.520 1.00 4.23 H new ATOM 0 HA LYS A 32 -9.661 13.711 9.178 1.00 1.05 H new ATOM 0 HB2 LYS A 32 -9.790 16.531 10.116 1.00 20.34 H new ATOM 0 HB3 LYS A 32 -11.333 15.836 9.660 1.00 20.34 H new ATOM 0 HG2 LYS A 32 -10.971 13.957 11.225 1.00 12.12 H new ATOM 0 HG3 LYS A 32 -9.399 14.602 11.656 1.00 12.12 H new ATOM 0 HD2 LYS A 32 -11.920 16.261 11.961 1.00 51.32 H new ATOM 0 HD3 LYS A 32 -11.415 15.136 13.206 1.00 51.32 H new ATOM 0 HE2 LYS A 32 -9.983 16.675 14.008 1.00 4.21 H new ATOM 0 HE3 LYS A 32 -9.089 16.621 12.502 1.00 4.21 H new ATOM 0 HZ1 LYS A 32 -9.826 18.859 13.004 1.00 64.24 H new ATOM 0 HZ2 LYS A 32 -10.582 18.304 11.588 1.00 64.24 H new ATOM 0 HZ3 LYS A 32 -11.447 18.357 13.048 1.00 64.24 H new ATOM 511 N HIS A 33 -10.246 16.125 6.989 1.00 71.32 N ATOM 512 CA HIS A 33 -10.895 16.419 5.716 1.00 61.52 C ATOM 513 C HIS A 33 -10.410 15.464 4.628 1.00 42.14 C ATOM 514 O HIS A 33 -11.219 15.142 3.758 1.00 1.53 O ATOM 515 CB HIS A 33 -10.621 17.864 5.301 1.00 22.23 C ATOM 516 CG HIS A 33 -10.947 18.865 6.366 1.00 72.03 C ATOM 517 ND1 HIS A 33 -10.037 19.788 6.836 1.00 14.13 N ATOM 518 CD2 HIS A 33 -12.092 19.086 7.054 1.00 71.43 C ATOM 519 CE1 HIS A 33 -10.608 20.532 7.767 1.00 14.41 C ATOM 520 NE2 HIS A 33 -11.856 20.125 7.918 1.00 11.42 N ATOM 0 H HIS A 33 -9.707 16.900 7.376 1.00 71.32 H new ATOM 0 HA HIS A 33 -11.969 16.284 5.843 1.00 61.52 H new ATOM 0 HB2 HIS A 33 -9.570 17.963 5.031 1.00 22.23 H new ATOM 0 HB3 HIS A 33 -11.202 18.093 4.408 1.00 22.23 H new ATOM 0 HD2 HIS A 33 -13.020 18.544 6.943 1.00 71.43 H new ATOM 0 HE1 HIS A 33 -10.135 21.336 8.312 1.00 14.41 H new ATOM 0 HE2 HIS A 33 -12.534 20.519 8.571 1.00 11.42 H new ATOM 528 N ILE A 34 -9.159 15.019 4.653 1.00 70.34 N ATOM 529 CA ILE A 34 -8.653 14.105 3.637 1.00 52.51 C ATOM 530 C ILE A 34 -9.228 12.706 3.820 1.00 35.52 C ATOM 531 O ILE A 34 -10.040 12.246 3.017 1.00 61.40 O ATOM 532 CB ILE A 34 -7.115 14.025 3.668 1.00 42.22 C ATOM 533 CG1 ILE A 34 -6.508 15.430 3.670 1.00 5.25 C ATOM 534 CG2 ILE A 34 -6.602 13.223 2.481 1.00 24.31 C ATOM 535 CD1 ILE A 34 -5.004 15.439 3.824 1.00 21.41 C ATOM 0 H ILE A 34 -8.477 15.277 5.366 1.00 70.34 H new ATOM 0 HA ILE A 34 -8.969 14.500 2.672 1.00 52.51 H new ATOM 0 HB ILE A 34 -6.812 13.517 4.584 1.00 42.22 H new ATOM 0 HG12 ILE A 34 -6.773 15.932 2.740 1.00 5.25 H new ATOM 0 HG13 ILE A 34 -6.951 16.007 4.481 1.00 5.25 H new ATOM 0 HG21 ILE A 34 -5.514 13.176 2.517 1.00 24.31 H new ATOM 0 HG22 ILE A 34 -7.011 12.213 2.520 1.00 24.31 H new ATOM 0 HG23 ILE A 34 -6.914 13.705 1.554 1.00 24.31 H new ATOM 0 HD11 ILE A 34 -4.644 16.468 3.817 1.00 21.41 H new ATOM 0 HD12 ILE A 34 -4.732 14.966 4.768 1.00 21.41 H new ATOM 0 HD13 ILE A 34 -4.550 14.890 2.999 1.00 21.41 H new ATOM 547 N VAL A 35 -8.802 12.031 4.884 1.00 42.52 N ATOM 548 CA VAL A 35 -9.277 10.683 5.175 1.00 4.52 C ATOM 549 C VAL A 35 -10.789 10.584 4.999 1.00 35.21 C ATOM 550 O VAL A 35 -11.306 9.553 4.568 1.00 31.31 O ATOM 551 CB VAL A 35 -8.909 10.257 6.608 1.00 72.21 C ATOM 552 CG1 VAL A 35 -9.470 8.876 6.915 1.00 54.22 C ATOM 553 CG2 VAL A 35 -7.400 10.283 6.800 1.00 64.14 C ATOM 0 H VAL A 35 -8.129 12.396 5.558 1.00 42.52 H new ATOM 0 HA VAL A 35 -8.787 10.014 4.468 1.00 4.52 H new ATOM 0 HB VAL A 35 -9.354 10.967 7.305 1.00 72.21 H new ATOM 0 HG11 VAL A 35 -9.200 8.591 7.932 1.00 54.22 H new ATOM 0 HG12 VAL A 35 -10.556 8.895 6.820 1.00 54.22 H new ATOM 0 HG13 VAL A 35 -9.057 8.151 6.214 1.00 54.22 H new ATOM 0 HG21 VAL A 35 -7.158 9.979 7.818 1.00 64.14 H new ATOM 0 HG22 VAL A 35 -6.932 9.596 6.095 1.00 64.14 H new ATOM 0 HG23 VAL A 35 -7.028 11.292 6.624 1.00 64.14 H new ATOM 563 N TRP A 36 -11.490 11.660 5.334 1.00 21.21 N ATOM 564 CA TRP A 36 -12.943 11.693 5.212 1.00 50.24 C ATOM 565 C TRP A 36 -13.376 11.387 3.783 1.00 1.34 C ATOM 566 O TRP A 36 -14.162 10.470 3.545 1.00 53.50 O ATOM 567 CB TRP A 36 -13.480 13.060 5.640 1.00 14.10 C ATOM 568 CG TRP A 36 -14.971 13.171 5.536 1.00 60.14 C ATOM 569 CD1 TRP A 36 -15.882 12.912 6.520 1.00 42.32 C ATOM 570 CD2 TRP A 36 -15.723 13.569 4.385 1.00 70.34 C ATOM 571 NE1 TRP A 36 -17.155 13.124 6.050 1.00 2.52 N ATOM 572 CE2 TRP A 36 -17.085 13.529 4.743 1.00 62.11 C ATOM 573 CE3 TRP A 36 -15.378 13.957 3.087 1.00 63.21 C ATOM 574 CZ2 TRP A 36 -18.099 13.861 3.849 1.00 13.52 C ATOM 575 CZ3 TRP A 36 -16.387 14.286 2.201 1.00 32.12 C ATOM 576 CH2 TRP A 36 -17.733 14.238 2.585 1.00 23.52 C ATOM 0 H TRP A 36 -11.077 12.521 5.692 1.00 21.21 H new ATOM 0 HA TRP A 36 -13.356 10.927 5.868 1.00 50.24 H new ATOM 0 HB2 TRP A 36 -13.179 13.255 6.669 1.00 14.10 H new ATOM 0 HB3 TRP A 36 -13.021 13.832 5.023 1.00 14.10 H new ATOM 0 HD1 TRP A 36 -15.637 12.588 7.521 1.00 42.32 H new ATOM 0 HE1 TRP A 36 -18.013 13.000 6.587 1.00 2.52 H new ATOM 0 HE3 TRP A 36 -14.343 13.999 2.782 1.00 63.21 H new ATOM 0 HZ2 TRP A 36 -19.138 13.823 4.142 1.00 13.52 H new ATOM 0 HZ3 TRP A 36 -16.133 14.585 1.195 1.00 32.12 H new ATOM 0 HH2 TRP A 36 -18.497 14.504 1.870 1.00 23.52 H new ATOM 587 N ALA A 37 -12.860 12.161 2.834 1.00 13.10 N ATOM 588 CA ALA A 37 -13.192 11.970 1.427 1.00 53.14 C ATOM 589 C ALA A 37 -12.747 10.596 0.939 1.00 1.30 C ATOM 590 O ALA A 37 -13.457 9.937 0.180 1.00 70.32 O ATOM 591 CB ALA A 37 -12.556 13.064 0.582 1.00 40.52 C ATOM 0 H ALA A 37 -12.210 12.926 3.014 1.00 13.10 H new ATOM 0 HA ALA A 37 -14.275 12.029 1.324 1.00 53.14 H new ATOM 0 HB1 ALA A 37 -12.812 12.909 -0.466 1.00 40.52 H new ATOM 0 HB2 ALA A 37 -12.927 14.036 0.906 1.00 40.52 H new ATOM 0 HB3 ALA A 37 -11.473 13.031 0.700 1.00 40.52 H new ATOM 597 N SER A 38 -11.567 10.170 1.379 1.00 3.00 N ATOM 598 CA SER A 38 -11.026 8.875 0.984 1.00 4.52 C ATOM 599 C SER A 38 -11.935 7.742 1.448 1.00 60.34 C ATOM 600 O SER A 38 -12.001 6.686 0.817 1.00 51.31 O ATOM 601 CB SER A 38 -9.622 8.688 1.561 1.00 61.23 C ATOM 602 OG SER A 38 -9.676 8.364 2.939 1.00 14.31 O ATOM 0 H SER A 38 -10.968 10.703 2.009 1.00 3.00 H new ATOM 0 HA SER A 38 -10.970 8.849 -0.104 1.00 4.52 H new ATOM 0 HB2 SER A 38 -9.105 7.897 1.018 1.00 61.23 H new ATOM 0 HB3 SER A 38 -9.043 9.601 1.421 1.00 61.23 H new ATOM 0 HG SER A 38 -10.443 8.814 3.351 1.00 14.31 H new ATOM 608 N ARG A 39 -12.633 7.968 2.556 1.00 61.24 N ATOM 609 CA ARG A 39 -13.537 6.965 3.107 1.00 71.11 C ATOM 610 C ARG A 39 -14.864 6.956 2.352 1.00 55.03 C ATOM 611 O ARG A 39 -15.586 5.960 2.362 1.00 60.11 O ATOM 612 CB ARG A 39 -13.785 7.233 4.593 1.00 41.32 C ATOM 613 CG ARG A 39 -12.891 6.423 5.516 1.00 72.42 C ATOM 614 CD ARG A 39 -13.684 5.793 6.650 1.00 32.15 C ATOM 615 NE ARG A 39 -12.824 5.084 7.593 1.00 35.15 N ATOM 616 CZ ARG A 39 -12.026 5.696 8.461 1.00 60.14 C ATOM 617 NH1 ARG A 39 -11.981 7.020 8.507 1.00 55.32 N ATOM 618 NH2 ARG A 39 -11.272 4.982 9.288 1.00 64.44 N ATOM 0 H ARG A 39 -12.590 8.836 3.090 1.00 61.24 H new ATOM 0 HA ARG A 39 -13.068 5.988 2.994 1.00 71.11 H new ATOM 0 HB2 ARG A 39 -13.632 8.294 4.792 1.00 41.32 H new ATOM 0 HB3 ARG A 39 -14.827 7.012 4.824 1.00 41.32 H new ATOM 0 HG2 ARG A 39 -12.389 5.642 4.945 1.00 72.42 H new ATOM 0 HG3 ARG A 39 -12.114 7.067 5.928 1.00 72.42 H new ATOM 0 HD2 ARG A 39 -14.239 6.568 7.178 1.00 32.15 H new ATOM 0 HD3 ARG A 39 -14.418 5.100 6.238 1.00 32.15 H new ATOM 0 HE ARG A 39 -12.837 4.064 7.585 1.00 35.15 H new ATOM 0 HH11 ARG A 39 -12.560 7.572 7.875 1.00 55.32 H new ATOM 0 HH12 ARG A 39 -11.367 7.487 9.175 1.00 55.32 H new ATOM 0 HH21 ARG A 39 -11.305 3.963 9.257 1.00 64.44 H new ATOM 0 HH22 ARG A 39 -10.659 5.452 9.954 1.00 64.44 H new ATOM 632 N GLU A 40 -15.176 8.071 1.701 1.00 14.35 N ATOM 633 CA GLU A 40 -16.415 8.191 0.942 1.00 44.00 C ATOM 634 C GLU A 40 -16.251 7.617 -0.462 1.00 20.34 C ATOM 635 O GLU A 40 -17.175 7.014 -1.011 1.00 1.51 O ATOM 636 CB GLU A 40 -16.849 9.656 0.859 1.00 35.11 C ATOM 637 CG GLU A 40 -18.316 9.837 0.508 1.00 73.14 C ATOM 638 CD GLU A 40 -19.137 10.346 1.678 1.00 33.14 C ATOM 639 OE1 GLU A 40 -18.994 11.535 2.029 1.00 72.35 O ATOM 640 OE2 GLU A 40 -19.921 9.553 2.239 1.00 43.42 O ATOM 0 H GLU A 40 -14.588 8.904 1.684 1.00 14.35 H new ATOM 0 HA GLU A 40 -17.185 7.621 1.461 1.00 44.00 H new ATOM 0 HB2 GLU A 40 -16.651 10.140 1.815 1.00 35.11 H new ATOM 0 HB3 GLU A 40 -16.240 10.165 0.112 1.00 35.11 H new ATOM 0 HG2 GLU A 40 -18.403 10.536 -0.324 1.00 73.14 H new ATOM 0 HG3 GLU A 40 -18.725 8.885 0.169 1.00 73.14 H new ATOM 647 N LEU A 41 -15.069 7.808 -1.038 1.00 24.35 N ATOM 648 CA LEU A 41 -14.783 7.310 -2.379 1.00 20.04 C ATOM 649 C LEU A 41 -14.860 5.787 -2.424 1.00 42.10 C ATOM 650 O LEU A 41 -15.390 5.211 -3.373 1.00 4.02 O ATOM 651 CB LEU A 41 -13.398 7.774 -2.833 1.00 41.34 C ATOM 652 CG LEU A 41 -13.206 9.286 -2.959 1.00 13.15 C ATOM 653 CD1 LEU A 41 -11.726 9.639 -2.946 1.00 20.10 C ATOM 654 CD2 LEU A 41 -13.867 9.804 -4.229 1.00 24.21 C ATOM 0 H LEU A 41 -14.294 8.304 -0.598 1.00 24.35 H new ATOM 0 HA LEU A 41 -15.536 7.714 -3.056 1.00 20.04 H new ATOM 0 HB2 LEU A 41 -12.659 7.391 -2.129 1.00 41.34 H new ATOM 0 HB3 LEU A 41 -13.183 7.318 -3.800 1.00 41.34 H new ATOM 0 HG LEU A 41 -13.681 9.765 -2.103 1.00 13.15 H new ATOM 0 HD11 LEU A 41 -11.609 10.719 -3.037 1.00 20.10 H new ATOM 0 HD12 LEU A 41 -11.280 9.303 -2.010 1.00 20.10 H new ATOM 0 HD13 LEU A 41 -11.228 9.149 -3.782 1.00 20.10 H new ATOM 0 HD21 LEU A 41 -13.720 10.882 -4.302 1.00 24.21 H new ATOM 0 HD22 LEU A 41 -13.420 9.317 -5.096 1.00 24.21 H new ATOM 0 HD23 LEU A 41 -14.934 9.584 -4.199 1.00 24.21 H new ATOM 666 N GLU A 42 -14.330 5.143 -1.389 1.00 43.31 N ATOM 667 CA GLU A 42 -14.342 3.687 -1.310 1.00 60.04 C ATOM 668 C GLU A 42 -15.763 3.162 -1.126 1.00 41.44 C ATOM 669 O GLU A 42 -16.055 2.008 -1.434 1.00 31.53 O ATOM 670 CB GLU A 42 -13.457 3.211 -0.156 1.00 62.44 C ATOM 671 CG GLU A 42 -13.256 1.705 -0.125 1.00 35.43 C ATOM 672 CD GLU A 42 -12.480 1.244 1.094 1.00 13.50 C ATOM 673 OE1 GLU A 42 -12.688 1.819 2.182 1.00 43.31 O ATOM 674 OE2 GLU A 42 -11.664 0.308 0.959 1.00 44.41 O ATOM 0 H GLU A 42 -13.888 5.606 -0.595 1.00 43.31 H new ATOM 0 HA GLU A 42 -13.948 3.295 -2.248 1.00 60.04 H new ATOM 0 HB2 GLU A 42 -12.484 3.698 -0.230 1.00 62.44 H new ATOM 0 HB3 GLU A 42 -13.901 3.529 0.787 1.00 62.44 H new ATOM 0 HG2 GLU A 42 -14.228 1.212 -0.140 1.00 35.43 H new ATOM 0 HG3 GLU A 42 -12.727 1.394 -1.026 1.00 35.43 H new ATOM 681 N ARG A 43 -16.643 4.021 -0.620 1.00 44.01 N ATOM 682 CA ARG A 43 -18.033 3.645 -0.393 1.00 70.34 C ATOM 683 C ARG A 43 -18.854 3.799 -1.670 1.00 41.33 C ATOM 684 O ARG A 43 -19.795 3.043 -1.910 1.00 30.12 O ATOM 685 CB ARG A 43 -18.639 4.499 0.721 1.00 43.33 C ATOM 686 CG ARG A 43 -20.004 4.017 1.185 1.00 72.22 C ATOM 687 CD ARG A 43 -20.983 5.172 1.331 1.00 13.45 C ATOM 688 NE ARG A 43 -21.967 4.926 2.381 1.00 2.15 N ATOM 689 CZ ARG A 43 -22.860 5.827 2.776 1.00 74.54 C ATOM 690 NH1 ARG A 43 -22.892 7.026 2.213 1.00 21.25 N ATOM 691 NH2 ARG A 43 -23.723 5.528 3.739 1.00 24.21 N ATOM 0 H ARG A 43 -16.418 4.981 -0.360 1.00 44.01 H new ATOM 0 HA ARG A 43 -18.055 2.598 -0.092 1.00 70.34 H new ATOM 0 HB2 ARG A 43 -17.958 4.508 1.572 1.00 43.33 H new ATOM 0 HB3 ARG A 43 -18.726 5.528 0.372 1.00 43.33 H new ATOM 0 HG2 ARG A 43 -20.397 3.293 0.471 1.00 72.22 H new ATOM 0 HG3 ARG A 43 -19.904 3.501 2.140 1.00 72.22 H new ATOM 0 HD2 ARG A 43 -20.434 6.086 1.556 1.00 13.45 H new ATOM 0 HD3 ARG A 43 -21.497 5.334 0.383 1.00 13.45 H new ATOM 0 HE ARG A 43 -21.969 4.013 2.836 1.00 2.15 H new ATOM 0 HH11 ARG A 43 -22.230 7.260 1.474 1.00 21.25 H new ATOM 0 HH12 ARG A 43 -23.579 7.715 2.519 1.00 21.25 H new ATOM 0 HH21 ARG A 43 -23.701 4.607 4.176 1.00 24.21 H new ATOM 0 HH22 ARG A 43 -24.409 6.220 4.042 1.00 24.21 H new ATOM 705 N PHE A 44 -18.491 4.784 -2.486 1.00 75.54 N ATOM 706 CA PHE A 44 -19.194 5.038 -3.737 1.00 74.10 C ATOM 707 C PHE A 44 -18.855 3.973 -4.777 1.00 5.24 C ATOM 708 O PHE A 44 -19.729 3.233 -5.229 1.00 63.40 O ATOM 709 CB PHE A 44 -18.834 6.425 -4.276 1.00 21.21 C ATOM 710 CG PHE A 44 -19.934 7.435 -4.113 1.00 33.43 C ATOM 711 CD1 PHE A 44 -20.624 7.540 -2.917 1.00 64.43 C ATOM 712 CD2 PHE A 44 -20.278 8.277 -5.157 1.00 14.43 C ATOM 713 CE1 PHE A 44 -21.637 8.467 -2.765 1.00 1.21 C ATOM 714 CE2 PHE A 44 -21.290 9.207 -5.011 1.00 11.42 C ATOM 715 CZ PHE A 44 -21.970 9.303 -3.813 1.00 32.00 C ATOM 0 H PHE A 44 -17.714 5.419 -2.302 1.00 75.54 H new ATOM 0 HA PHE A 44 -20.265 4.999 -3.538 1.00 74.10 H new ATOM 0 HB2 PHE A 44 -17.942 6.785 -3.763 1.00 21.21 H new ATOM 0 HB3 PHE A 44 -18.582 6.341 -5.333 1.00 21.21 H new ATOM 0 HD1 PHE A 44 -20.367 6.890 -2.094 1.00 64.43 H new ATOM 0 HD2 PHE A 44 -19.749 8.206 -6.096 1.00 14.43 H new ATOM 0 HE1 PHE A 44 -22.168 8.538 -1.827 1.00 1.21 H new ATOM 0 HE2 PHE A 44 -21.549 9.858 -5.833 1.00 11.42 H new ATOM 0 HZ PHE A 44 -22.760 10.030 -3.696 1.00 32.00 H new ATOM 725 N ALA A 45 -17.583 3.903 -5.152 1.00 62.00 N ATOM 726 CA ALA A 45 -17.129 2.930 -6.137 1.00 23.43 C ATOM 727 C ALA A 45 -15.734 3.274 -6.647 1.00 73.41 C ATOM 728 O ALA A 45 -15.308 2.789 -7.696 1.00 1.51 O ATOM 729 CB ALA A 45 -18.112 2.852 -7.295 1.00 2.35 C ATOM 0 H ALA A 45 -16.848 4.509 -4.788 1.00 62.00 H new ATOM 0 HA ALA A 45 -17.079 1.956 -5.651 1.00 23.43 H new ATOM 0 HB1 ALA A 45 -17.760 2.121 -8.023 1.00 2.35 H new ATOM 0 HB2 ALA A 45 -19.091 2.550 -6.922 1.00 2.35 H new ATOM 0 HB3 ALA A 45 -18.191 3.829 -7.771 1.00 2.35 H new ATOM 735 N VAL A 46 -15.026 4.115 -5.900 1.00 74.42 N ATOM 736 CA VAL A 46 -13.679 4.523 -6.276 1.00 14.05 C ATOM 737 C VAL A 46 -12.677 4.197 -5.174 1.00 52.45 C ATOM 738 O VAL A 46 -12.967 4.361 -3.989 1.00 10.52 O ATOM 739 CB VAL A 46 -13.615 6.031 -6.583 1.00 2.24 C ATOM 740 CG1 VAL A 46 -12.190 6.450 -6.912 1.00 32.13 C ATOM 741 CG2 VAL A 46 -14.559 6.383 -7.723 1.00 72.31 C ATOM 0 H VAL A 46 -15.364 4.527 -5.030 1.00 74.42 H new ATOM 0 HA VAL A 46 -13.419 3.965 -7.175 1.00 14.05 H new ATOM 0 HB VAL A 46 -13.933 6.578 -5.695 1.00 2.24 H new ATOM 0 HG11 VAL A 46 -12.165 7.518 -7.126 1.00 32.13 H new ATOM 0 HG12 VAL A 46 -11.542 6.235 -6.062 1.00 32.13 H new ATOM 0 HG13 VAL A 46 -11.840 5.897 -7.784 1.00 32.13 H new ATOM 0 HG21 VAL A 46 -14.501 7.452 -7.926 1.00 72.31 H new ATOM 0 HG22 VAL A 46 -14.274 5.828 -8.616 1.00 72.31 H new ATOM 0 HG23 VAL A 46 -15.580 6.122 -7.444 1.00 72.31 H new ATOM 751 N ASN A 47 -11.496 3.736 -5.572 1.00 44.51 N ATOM 752 CA ASN A 47 -10.450 3.387 -4.617 1.00 2.04 C ATOM 753 C ASN A 47 -9.801 4.641 -4.039 1.00 22.22 C ATOM 754 O ASN A 47 -9.566 5.627 -4.737 1.00 3.21 O ATOM 755 CB ASN A 47 -9.389 2.513 -5.288 1.00 13.05 C ATOM 756 CG ASN A 47 -9.393 1.092 -4.763 1.00 64.51 C ATOM 757 OD1 ASN A 47 -8.414 0.632 -4.174 1.00 51.04 O ATOM 758 ND2 ASN A 47 -10.499 0.386 -4.974 1.00 35.22 N ATOM 0 H ASN A 47 -11.239 3.595 -6.549 1.00 44.51 H new ATOM 0 HA ASN A 47 -10.909 2.828 -3.801 1.00 2.04 H new ATOM 0 HB2 ASN A 47 -9.561 2.500 -6.364 1.00 13.05 H new ATOM 0 HB3 ASN A 47 -8.405 2.954 -5.128 1.00 13.05 H new ATOM 0 HD21 ASN A 47 -10.560 -0.577 -4.643 1.00 35.22 H new ATOM 0 HD22 ASN A 47 -11.287 0.807 -5.467 1.00 35.22 H new ATOM 765 N PRO A 48 -9.504 4.604 -2.731 1.00 11.24 N ATOM 766 CA PRO A 48 -8.877 5.728 -2.030 1.00 63.32 C ATOM 767 C PRO A 48 -7.427 5.940 -2.453 1.00 3.25 C ATOM 768 O PRO A 48 -6.790 6.912 -2.052 1.00 13.13 O ATOM 769 CB PRO A 48 -8.949 5.312 -0.559 1.00 61.11 C ATOM 770 CG PRO A 48 -9.003 3.823 -0.587 1.00 13.43 C ATOM 771 CD PRO A 48 -9.757 3.461 -1.837 1.00 12.21 C ATOM 0 HA PRO A 48 -9.376 6.673 -2.246 1.00 63.32 H new ATOM 0 HB2 PRO A 48 -8.080 5.666 -0.005 1.00 61.11 H new ATOM 0 HB3 PRO A 48 -9.830 5.731 -0.072 1.00 61.11 H new ATOM 0 HG2 PRO A 48 -8.000 3.396 -0.598 1.00 13.43 H new ATOM 0 HG3 PRO A 48 -9.505 3.434 0.299 1.00 13.43 H new ATOM 0 HD2 PRO A 48 -9.397 2.527 -2.267 1.00 12.21 H new ATOM 0 HD3 PRO A 48 -10.821 3.332 -1.641 1.00 12.21 H new ATOM 779 N GLY A 49 -6.913 5.023 -3.268 1.00 3.44 N ATOM 780 CA GLY A 49 -5.543 5.130 -3.733 1.00 23.52 C ATOM 781 C GLY A 49 -5.387 6.135 -4.856 1.00 1.10 C ATOM 782 O GLY A 49 -4.269 6.467 -5.252 1.00 12.31 O ATOM 0 H GLY A 49 -7.421 4.209 -3.614 1.00 3.44 H new ATOM 0 HA2 GLY A 49 -4.902 5.419 -2.900 1.00 23.52 H new ATOM 0 HA3 GLY A 49 -5.201 4.153 -4.075 1.00 23.52 H new ATOM 786 N LEU A 50 -6.511 6.621 -5.373 1.00 31.12 N ATOM 787 CA LEU A 50 -6.495 7.594 -6.459 1.00 14.23 C ATOM 788 C LEU A 50 -6.397 9.016 -5.915 1.00 34.22 C ATOM 789 O LEU A 50 -6.593 9.987 -6.647 1.00 2.00 O ATOM 790 CB LEU A 50 -7.753 7.450 -7.318 1.00 52.13 C ATOM 791 CG LEU A 50 -8.056 6.043 -7.834 1.00 51.35 C ATOM 792 CD1 LEU A 50 -9.416 6.006 -8.513 1.00 31.44 C ATOM 793 CD2 LEU A 50 -6.966 5.580 -8.790 1.00 63.04 C ATOM 0 H LEU A 50 -7.444 6.357 -5.057 1.00 31.12 H new ATOM 0 HA LEU A 50 -5.617 7.399 -7.075 1.00 14.23 H new ATOM 0 HB2 LEU A 50 -8.608 7.794 -6.735 1.00 52.13 H new ATOM 0 HB3 LEU A 50 -7.662 8.118 -8.175 1.00 52.13 H new ATOM 0 HG LEU A 50 -8.079 5.361 -6.984 1.00 51.35 H new ATOM 0 HD11 LEU A 50 -9.615 4.997 -8.874 1.00 31.44 H new ATOM 0 HD12 LEU A 50 -10.187 6.295 -7.799 1.00 31.44 H new ATOM 0 HD13 LEU A 50 -9.422 6.700 -9.354 1.00 31.44 H new ATOM 0 HD21 LEU A 50 -7.198 4.577 -9.148 1.00 63.04 H new ATOM 0 HD22 LEU A 50 -6.911 6.263 -9.637 1.00 63.04 H new ATOM 0 HD23 LEU A 50 -6.008 5.568 -8.271 1.00 63.04 H new ATOM 805 N LEU A 51 -6.089 9.131 -4.628 1.00 23.31 N ATOM 806 CA LEU A 51 -5.962 10.435 -3.986 1.00 75.50 C ATOM 807 C LEU A 51 -4.502 10.748 -3.673 1.00 32.44 C ATOM 808 O LEU A 51 -4.126 11.909 -3.517 1.00 23.21 O ATOM 809 CB LEU A 51 -6.790 10.475 -2.700 1.00 22.13 C ATOM 810 CG LEU A 51 -8.274 10.136 -2.846 1.00 31.41 C ATOM 811 CD1 LEU A 51 -8.825 9.578 -1.543 1.00 5.54 C ATOM 812 CD2 LEU A 51 -9.061 11.363 -3.280 1.00 42.53 C ATOM 0 H LEU A 51 -5.923 8.338 -4.009 1.00 23.31 H new ATOM 0 HA LEU A 51 -6.337 11.190 -4.677 1.00 75.50 H new ATOM 0 HB2 LEU A 51 -6.348 9.781 -1.985 1.00 22.13 H new ATOM 0 HB3 LEU A 51 -6.707 11.473 -2.269 1.00 22.13 H new ATOM 0 HG LEU A 51 -8.379 9.372 -3.616 1.00 31.41 H new ATOM 0 HD11 LEU A 51 -9.882 9.343 -1.666 1.00 5.54 H new ATOM 0 HD12 LEU A 51 -8.280 8.672 -1.276 1.00 5.54 H new ATOM 0 HD13 LEU A 51 -8.708 10.318 -0.752 1.00 5.54 H new ATOM 0 HD21 LEU A 51 -10.115 11.103 -3.379 1.00 42.53 H new ATOM 0 HD22 LEU A 51 -8.950 12.149 -2.534 1.00 42.53 H new ATOM 0 HD23 LEU A 51 -8.683 11.717 -4.239 1.00 42.53 H new ATOM 824 N GLU A 52 -3.684 9.704 -3.587 1.00 60.32 N ATOM 825 CA GLU A 52 -2.264 9.868 -3.295 1.00 42.21 C ATOM 826 C GLU A 52 -1.532 10.481 -4.486 1.00 50.34 C ATOM 827 O GLU A 52 -0.486 11.113 -4.328 1.00 63.10 O ATOM 828 CB GLU A 52 -1.635 8.521 -2.934 1.00 5.25 C ATOM 829 CG GLU A 52 -1.861 7.444 -3.981 1.00 32.22 C ATOM 830 CD GLU A 52 -0.607 6.642 -4.274 1.00 41.43 C ATOM 831 OE1 GLU A 52 0.468 7.258 -4.429 1.00 40.13 O ATOM 832 OE2 GLU A 52 -0.702 5.399 -4.347 1.00 0.11 O ATOM 0 H GLU A 52 -3.979 8.736 -3.715 1.00 60.32 H new ATOM 0 HA GLU A 52 -2.170 10.543 -2.445 1.00 42.21 H new ATOM 0 HB2 GLU A 52 -0.563 8.657 -2.790 1.00 5.25 H new ATOM 0 HB3 GLU A 52 -2.044 8.182 -1.982 1.00 5.25 H new ATOM 0 HG2 GLU A 52 -2.647 6.770 -3.640 1.00 32.22 H new ATOM 0 HG3 GLU A 52 -2.215 7.907 -4.902 1.00 32.22 H new ATOM 839 N THR A 53 -2.089 10.291 -5.678 1.00 70.12 N ATOM 840 CA THR A 53 -1.489 10.823 -6.895 1.00 25.24 C ATOM 841 C THR A 53 -2.431 11.797 -7.592 1.00 63.24 C ATOM 842 O THR A 53 -3.607 11.497 -7.800 1.00 54.13 O ATOM 843 CB THR A 53 -1.117 9.695 -7.877 1.00 71.41 C ATOM 844 OG1 THR A 53 -2.173 9.503 -8.825 1.00 31.24 O ATOM 845 CG2 THR A 53 -0.855 8.394 -7.133 1.00 53.10 C ATOM 0 H THR A 53 -2.955 9.773 -5.826 1.00 70.12 H new ATOM 0 HA THR A 53 -0.582 11.349 -6.597 1.00 25.24 H new ATOM 0 HB THR A 53 -0.206 9.985 -8.401 1.00 71.41 H new ATOM 0 HG1 THR A 53 -1.928 8.786 -9.446 1.00 31.24 H new ATOM 0 HG21 THR A 53 -0.594 7.613 -7.847 1.00 53.10 H new ATOM 0 HG22 THR A 53 -0.032 8.535 -6.433 1.00 53.10 H new ATOM 0 HG23 THR A 53 -1.751 8.101 -6.586 1.00 53.10 H new ATOM 853 N SER A 54 -1.908 12.965 -7.950 1.00 13.34 N ATOM 854 CA SER A 54 -2.704 13.986 -8.622 1.00 63.44 C ATOM 855 C SER A 54 -3.463 13.392 -9.804 1.00 11.23 C ATOM 856 O SER A 54 -4.608 13.759 -10.067 1.00 22.32 O ATOM 857 CB SER A 54 -1.807 15.130 -9.099 1.00 2.21 C ATOM 858 OG SER A 54 -1.602 15.066 -10.500 1.00 61.22 O ATOM 0 H SER A 54 -0.936 13.228 -7.786 1.00 13.34 H new ATOM 0 HA SER A 54 -3.428 14.376 -7.907 1.00 63.44 H new ATOM 0 HB2 SER A 54 -2.261 16.086 -8.838 1.00 2.21 H new ATOM 0 HB3 SER A 54 -0.847 15.082 -8.585 1.00 2.21 H new ATOM 0 HG SER A 54 -1.027 15.808 -10.781 1.00 61.22 H new ATOM 864 N GLU A 55 -2.816 12.473 -10.514 1.00 71.11 N ATOM 865 CA GLU A 55 -3.430 11.829 -11.670 1.00 75.53 C ATOM 866 C GLU A 55 -4.736 11.143 -11.280 1.00 74.14 C ATOM 867 O GLU A 55 -5.710 11.169 -12.031 1.00 43.30 O ATOM 868 CB GLU A 55 -2.468 10.807 -12.282 1.00 54.12 C ATOM 869 CG GLU A 55 -1.709 11.334 -13.489 1.00 65.04 C ATOM 870 CD GLU A 55 -0.390 11.980 -13.112 1.00 70.44 C ATOM 871 OE1 GLU A 55 0.574 11.239 -12.826 1.00 1.12 O ATOM 872 OE2 GLU A 55 -0.323 13.227 -13.102 1.00 31.12 O ATOM 0 H GLU A 55 -1.868 12.158 -10.309 1.00 71.11 H new ATOM 0 HA GLU A 55 -3.650 12.599 -12.409 1.00 75.53 H new ATOM 0 HB2 GLU A 55 -1.753 10.493 -11.522 1.00 54.12 H new ATOM 0 HB3 GLU A 55 -3.031 9.921 -12.575 1.00 54.12 H new ATOM 0 HG2 GLU A 55 -1.523 10.514 -14.183 1.00 65.04 H new ATOM 0 HG3 GLU A 55 -2.328 12.061 -14.014 1.00 65.04 H new ATOM 879 N GLY A 56 -4.747 10.530 -10.101 1.00 65.42 N ATOM 880 CA GLY A 56 -5.939 9.846 -9.632 1.00 52.22 C ATOM 881 C GLY A 56 -7.048 10.806 -9.254 1.00 12.31 C ATOM 882 O GLY A 56 -8.228 10.510 -9.446 1.00 12.02 O ATOM 0 H GLY A 56 -3.953 10.494 -9.462 1.00 65.42 H new ATOM 0 HA2 GLY A 56 -6.296 9.171 -10.410 1.00 52.22 H new ATOM 0 HA3 GLY A 56 -5.685 9.231 -8.769 1.00 52.22 H new ATOM 886 N CYS A 57 -6.672 11.960 -8.714 1.00 53.22 N ATOM 887 CA CYS A 57 -7.644 12.967 -8.305 1.00 11.14 C ATOM 888 C CYS A 57 -8.237 13.675 -9.520 1.00 52.02 C ATOM 889 O CYS A 57 -9.328 14.241 -9.450 1.00 53.13 O ATOM 890 CB CYS A 57 -6.991 13.989 -7.374 1.00 73.04 C ATOM 891 SG CYS A 57 -7.237 13.647 -5.615 1.00 15.32 S ATOM 0 H CYS A 57 -5.700 12.221 -8.549 1.00 53.22 H new ATOM 0 HA CYS A 57 -8.449 12.463 -7.771 1.00 11.14 H new ATOM 0 HB2 CYS A 57 -5.921 14.022 -7.581 1.00 73.04 H new ATOM 0 HB3 CYS A 57 -7.390 14.978 -7.600 1.00 73.04 H new ATOM 0 HG CYS A 57 -7.458 14.761 -4.983 1.00 15.32 H new ATOM 897 N ARG A 58 -7.510 13.640 -10.632 1.00 73.41 N ATOM 898 CA ARG A 58 -7.963 14.280 -11.861 1.00 32.32 C ATOM 899 C ARG A 58 -9.193 13.572 -12.421 1.00 23.34 C ATOM 900 O ARG A 58 -10.057 14.201 -13.032 1.00 73.35 O ATOM 901 CB ARG A 58 -6.843 14.280 -12.903 1.00 53.25 C ATOM 902 CG ARG A 58 -6.845 15.508 -13.799 1.00 60.33 C ATOM 903 CD ARG A 58 -7.661 15.275 -15.060 1.00 10.41 C ATOM 904 NE ARG A 58 -6.841 15.359 -16.266 1.00 41.44 N ATOM 905 CZ ARG A 58 -7.341 15.356 -17.496 1.00 22.32 C ATOM 906 NH1 ARG A 58 -8.652 15.274 -17.683 1.00 32.21 N ATOM 907 NH2 ARG A 58 -6.530 15.436 -18.544 1.00 65.50 N ATOM 0 H ARG A 58 -6.605 13.175 -10.707 1.00 73.41 H new ATOM 0 HA ARG A 58 -8.233 15.310 -11.627 1.00 32.32 H new ATOM 0 HB2 ARG A 58 -5.883 14.215 -12.392 1.00 53.25 H new ATOM 0 HB3 ARG A 58 -6.935 13.388 -13.523 1.00 53.25 H new ATOM 0 HG2 ARG A 58 -7.253 16.358 -13.252 1.00 60.33 H new ATOM 0 HG3 ARG A 58 -5.821 15.764 -14.069 1.00 60.33 H new ATOM 0 HD2 ARG A 58 -8.133 14.294 -15.010 1.00 10.41 H new ATOM 0 HD3 ARG A 58 -8.462 16.012 -15.114 1.00 10.41 H new ATOM 0 HE ARG A 58 -5.829 15.423 -16.157 1.00 41.44 H new ATOM 0 HH11 ARG A 58 -9.279 15.213 -16.881 1.00 32.21 H new ATOM 0 HH12 ARG A 58 -9.033 15.272 -18.629 1.00 32.21 H new ATOM 0 HH21 ARG A 58 -5.522 15.500 -18.405 1.00 65.50 H new ATOM 0 HH22 ARG A 58 -6.915 15.434 -19.488 1.00 65.50 H new ATOM 921 N GLN A 59 -9.264 12.261 -12.209 1.00 55.21 N ATOM 922 CA GLN A 59 -10.387 11.469 -12.695 1.00 73.13 C ATOM 923 C GLN A 59 -11.603 11.638 -11.790 1.00 72.04 C ATOM 924 O GLN A 59 -12.744 11.579 -12.250 1.00 40.41 O ATOM 925 CB GLN A 59 -9.999 9.992 -12.777 1.00 12.33 C ATOM 926 CG GLN A 59 -9.751 9.506 -14.196 1.00 15.34 C ATOM 927 CD GLN A 59 -8.631 8.487 -14.277 1.00 10.13 C ATOM 928 OE1 GLN A 59 -8.654 7.467 -13.589 1.00 62.33 O ATOM 929 NE2 GLN A 59 -7.643 8.759 -15.122 1.00 51.02 N ATOM 0 H GLN A 59 -8.557 11.726 -11.704 1.00 55.21 H new ATOM 0 HA GLN A 59 -10.646 11.825 -13.692 1.00 73.13 H new ATOM 0 HB2 GLN A 59 -9.100 9.828 -12.183 1.00 12.33 H new ATOM 0 HB3 GLN A 59 -10.791 9.391 -12.329 1.00 12.33 H new ATOM 0 HG2 GLN A 59 -10.667 9.066 -14.590 1.00 15.34 H new ATOM 0 HG3 GLN A 59 -9.508 10.358 -14.831 1.00 15.34 H new ATOM 0 HE21 GLN A 59 -7.665 9.617 -15.673 1.00 51.02 H new ATOM 0 HE22 GLN A 59 -6.862 8.110 -15.220 1.00 51.02 H new ATOM 938 N ILE A 60 -11.352 11.847 -10.502 1.00 33.31 N ATOM 939 CA ILE A 60 -12.427 12.024 -9.534 1.00 72.43 C ATOM 940 C ILE A 60 -13.184 13.323 -9.785 1.00 23.53 C ATOM 941 O ILE A 60 -14.414 13.332 -9.858 1.00 5.12 O ATOM 942 CB ILE A 60 -11.888 12.029 -8.090 1.00 21.34 C ATOM 943 CG1 ILE A 60 -11.130 10.731 -7.801 1.00 44.42 C ATOM 944 CG2 ILE A 60 -13.028 12.214 -7.100 1.00 24.13 C ATOM 945 CD1 ILE A 60 -10.138 10.852 -6.665 1.00 62.01 C ATOM 0 H ILE A 60 -10.414 11.898 -10.105 1.00 33.31 H new ATOM 0 HA ILE A 60 -13.106 11.180 -9.658 1.00 72.43 H new ATOM 0 HB ILE A 60 -11.197 12.864 -7.979 1.00 21.34 H new ATOM 0 HG12 ILE A 60 -11.848 9.945 -7.564 1.00 44.42 H new ATOM 0 HG13 ILE A 60 -10.602 10.419 -8.702 1.00 44.42 H new ATOM 0 HG21 ILE A 60 -12.632 12.215 -6.085 1.00 24.13 H new ATOM 0 HG22 ILE A 60 -13.529 13.162 -7.295 1.00 24.13 H new ATOM 0 HG23 ILE A 60 -13.741 11.397 -7.210 1.00 24.13 H new ATOM 0 HD11 ILE A 60 -9.637 9.895 -6.516 1.00 62.01 H new ATOM 0 HD12 ILE A 60 -9.398 11.615 -6.908 1.00 62.01 H new ATOM 0 HD13 ILE A 60 -10.663 11.133 -5.752 1.00 62.01 H new ATOM 957 N LEU A 61 -12.444 14.417 -9.921 1.00 44.21 N ATOM 958 CA LEU A 61 -13.046 15.723 -10.168 1.00 72.32 C ATOM 959 C LEU A 61 -13.826 15.724 -11.478 1.00 14.04 C ATOM 960 O LEU A 61 -14.972 16.169 -11.532 1.00 53.34 O ATOM 961 CB LEU A 61 -11.967 16.806 -10.202 1.00 74.32 C ATOM 962 CG LEU A 61 -11.255 17.086 -8.877 1.00 1.42 C ATOM 963 CD1 LEU A 61 -9.899 17.730 -9.126 1.00 45.14 C ATOM 964 CD2 LEU A 61 -12.113 17.972 -7.988 1.00 44.13 C ATOM 0 H LEU A 61 -11.426 14.426 -9.864 1.00 44.21 H new ATOM 0 HA LEU A 61 -13.739 15.936 -9.354 1.00 72.32 H new ATOM 0 HB2 LEU A 61 -11.218 16.521 -10.941 1.00 74.32 H new ATOM 0 HB3 LEU A 61 -12.422 17.733 -10.550 1.00 74.32 H new ATOM 0 HG LEU A 61 -11.095 16.137 -8.364 1.00 1.42 H new ATOM 0 HD11 LEU A 61 -9.407 17.922 -8.173 1.00 45.14 H new ATOM 0 HD12 LEU A 61 -9.282 17.059 -9.724 1.00 45.14 H new ATOM 0 HD13 LEU A 61 -10.035 18.670 -9.660 1.00 45.14 H new ATOM 0 HD21 LEU A 61 -11.591 18.161 -7.050 1.00 44.13 H new ATOM 0 HD22 LEU A 61 -12.304 18.918 -8.494 1.00 44.13 H new ATOM 0 HD23 LEU A 61 -13.060 17.473 -7.782 1.00 44.13 H new ATOM 976 N GLY A 62 -13.197 15.220 -12.536 1.00 52.00 N ATOM 977 CA GLY A 62 -13.847 15.171 -13.832 1.00 74.20 C ATOM 978 C GLY A 62 -15.100 14.318 -13.820 1.00 44.02 C ATOM 979 O GLY A 62 -15.947 14.437 -14.705 1.00 53.30 O ATOM 0 H GLY A 62 -12.249 14.845 -12.518 1.00 52.00 H new ATOM 0 HA2 GLY A 62 -14.103 16.183 -14.145 1.00 74.20 H new ATOM 0 HA3 GLY A 62 -13.149 14.776 -14.570 1.00 74.20 H new ATOM 983 N GLN A 63 -15.218 13.456 -12.815 1.00 4.40 N ATOM 984 CA GLN A 63 -16.376 12.579 -12.694 1.00 43.04 C ATOM 985 C GLN A 63 -17.501 13.266 -11.926 1.00 44.11 C ATOM 986 O GLN A 63 -18.653 13.271 -12.362 1.00 13.43 O ATOM 987 CB GLN A 63 -15.985 11.277 -11.993 1.00 23.13 C ATOM 988 CG GLN A 63 -15.992 10.066 -12.912 1.00 22.34 C ATOM 989 CD GLN A 63 -15.598 8.788 -12.198 1.00 1.21 C ATOM 990 OE1 GLN A 63 -16.412 8.170 -11.511 1.00 3.34 O ATOM 991 NE2 GLN A 63 -14.343 8.385 -12.354 1.00 21.34 N ATOM 0 H GLN A 63 -14.526 13.347 -12.073 1.00 4.40 H new ATOM 0 HA GLN A 63 -16.733 12.350 -13.698 1.00 43.04 H new ATOM 0 HB2 GLN A 63 -14.990 11.390 -11.563 1.00 23.13 H new ATOM 0 HB3 GLN A 63 -16.672 11.099 -11.166 1.00 23.13 H new ATOM 0 HG2 GLN A 63 -16.987 9.946 -13.341 1.00 22.34 H new ATOM 0 HG3 GLN A 63 -15.306 10.240 -13.741 1.00 22.34 H new ATOM 0 HE21 GLN A 63 -13.701 8.927 -12.932 1.00 21.34 H new ATOM 0 HE22 GLN A 63 -14.020 7.533 -11.896 1.00 21.34 H new ATOM 1000 N LEU A 64 -17.161 13.844 -10.779 1.00 75.24 N ATOM 1001 CA LEU A 64 -18.141 14.534 -9.948 1.00 32.14 C ATOM 1002 C LEU A 64 -18.600 15.829 -10.610 1.00 43.11 C ATOM 1003 O LEU A 64 -19.751 16.237 -10.464 1.00 3.44 O ATOM 1004 CB LEU A 64 -17.550 14.833 -8.569 1.00 3.52 C ATOM 1005 CG LEU A 64 -16.966 13.638 -7.816 1.00 45.34 C ATOM 1006 CD1 LEU A 64 -16.326 14.090 -6.512 1.00 44.51 C ATOM 1007 CD2 LEU A 64 -18.044 12.597 -7.549 1.00 23.32 C ATOM 0 H LEU A 64 -16.213 13.848 -10.403 1.00 75.24 H new ATOM 0 HA LEU A 64 -19.006 13.881 -9.831 1.00 32.14 H new ATOM 0 HB2 LEU A 64 -16.766 15.581 -8.686 1.00 3.52 H new ATOM 0 HB3 LEU A 64 -18.329 15.281 -7.951 1.00 3.52 H new ATOM 0 HG LEU A 64 -16.195 13.183 -8.438 1.00 45.34 H new ATOM 0 HD11 LEU A 64 -15.916 13.226 -5.989 1.00 44.51 H new ATOM 0 HD12 LEU A 64 -15.526 14.798 -6.726 1.00 44.51 H new ATOM 0 HD13 LEU A 64 -17.077 14.570 -5.885 1.00 44.51 H new ATOM 0 HD21 LEU A 64 -17.610 11.753 -7.012 1.00 23.32 H new ATOM 0 HD22 LEU A 64 -18.837 13.041 -6.947 1.00 23.32 H new ATOM 0 HD23 LEU A 64 -18.458 12.250 -8.496 1.00 23.32 H new ATOM 1019 N GLN A 65 -17.691 16.469 -11.340 1.00 43.21 N ATOM 1020 CA GLN A 65 -18.004 17.717 -12.025 1.00 22.35 C ATOM 1021 C GLN A 65 -19.341 17.618 -12.754 1.00 53.43 C ATOM 1022 O GLN A 65 -20.289 18.349 -12.464 1.00 34.21 O ATOM 1023 CB GLN A 65 -16.895 18.071 -13.017 1.00 51.11 C ATOM 1024 CG GLN A 65 -16.059 19.268 -12.594 1.00 51.12 C ATOM 1025 CD GLN A 65 -14.852 19.482 -13.486 1.00 50.35 C ATOM 1026 OE1 GLN A 65 -14.712 18.837 -14.525 1.00 61.33 O ATOM 1027 NE2 GLN A 65 -13.972 20.391 -13.084 1.00 51.13 N ATOM 0 H GLN A 65 -16.733 16.144 -11.472 1.00 43.21 H new ATOM 0 HA GLN A 65 -18.077 18.505 -11.275 1.00 22.35 H new ATOM 0 HB2 GLN A 65 -16.241 17.208 -13.141 1.00 51.11 H new ATOM 0 HB3 GLN A 65 -17.341 18.276 -13.990 1.00 51.11 H new ATOM 0 HG2 GLN A 65 -16.680 20.164 -12.609 1.00 51.12 H new ATOM 0 HG3 GLN A 65 -15.726 19.128 -11.566 1.00 51.12 H new ATOM 0 HE21 GLN A 65 -14.128 20.903 -12.216 1.00 51.13 H new ATOM 0 HE22 GLN A 65 -13.140 20.578 -13.644 1.00 51.13 H new ATOM 1036 N PRO A 66 -19.420 16.694 -13.722 1.00 64.01 N ATOM 1037 CA PRO A 66 -20.636 16.477 -14.511 1.00 25.13 C ATOM 1038 C PRO A 66 -21.759 15.854 -13.687 1.00 23.24 C ATOM 1039 O PRO A 66 -22.889 15.724 -14.159 1.00 42.23 O ATOM 1040 CB PRO A 66 -20.180 15.513 -15.608 1.00 22.23 C ATOM 1041 CG PRO A 66 -19.013 14.797 -15.023 1.00 50.43 C ATOM 1042 CD PRO A 66 -18.331 15.788 -14.120 1.00 75.45 C ATOM 0 HA PRO A 66 -21.047 17.412 -14.891 1.00 25.13 H new ATOM 0 HB2 PRO A 66 -20.975 14.818 -15.880 1.00 22.23 H new ATOM 0 HB3 PRO A 66 -19.901 16.049 -16.515 1.00 22.23 H new ATOM 0 HG2 PRO A 66 -19.334 13.917 -14.465 1.00 50.43 H new ATOM 0 HG3 PRO A 66 -18.336 14.450 -15.804 1.00 50.43 H new ATOM 0 HD2 PRO A 66 -17.879 15.300 -13.257 1.00 75.45 H new ATOM 0 HD3 PRO A 66 -17.534 16.321 -14.638 1.00 75.45 H new ATOM 1050 N SER A 67 -21.440 15.470 -12.456 1.00 11.43 N ATOM 1051 CA SER A 67 -22.422 14.857 -11.568 1.00 0.32 C ATOM 1052 C SER A 67 -22.890 15.850 -10.509 1.00 45.33 C ATOM 1053 O SER A 67 -23.721 15.524 -9.660 1.00 3.51 O ATOM 1054 CB SER A 67 -21.828 13.619 -10.895 1.00 31.52 C ATOM 1055 OG SER A 67 -22.847 12.724 -10.484 1.00 21.31 O ATOM 0 H SER A 67 -20.510 15.572 -12.050 1.00 11.43 H new ATOM 0 HA SER A 67 -23.282 14.559 -12.167 1.00 0.32 H new ATOM 0 HB2 SER A 67 -21.153 13.114 -11.586 1.00 31.52 H new ATOM 0 HB3 SER A 67 -21.234 13.920 -10.032 1.00 31.52 H new ATOM 0 HG SER A 67 -23.565 13.225 -10.043 1.00 21.31 H new ATOM 1061 N LEU A 68 -22.352 17.063 -10.564 1.00 23.32 N ATOM 1062 CA LEU A 68 -22.715 18.105 -9.611 1.00 53.33 C ATOM 1063 C LEU A 68 -24.202 18.433 -9.701 1.00 55.32 C ATOM 1064 O LEU A 68 -24.775 19.016 -8.781 1.00 73.14 O ATOM 1065 CB LEU A 68 -21.886 19.366 -9.864 1.00 43.22 C ATOM 1066 CG LEU A 68 -20.485 19.383 -9.252 1.00 51.25 C ATOM 1067 CD1 LEU A 68 -19.622 20.441 -9.922 1.00 24.14 C ATOM 1068 CD2 LEU A 68 -20.561 19.628 -7.752 1.00 64.42 C ATOM 0 H LEU A 68 -21.662 17.349 -11.259 1.00 23.32 H new ATOM 0 HA LEU A 68 -22.505 17.734 -8.608 1.00 53.33 H new ATOM 0 HB2 LEU A 68 -21.792 19.504 -10.941 1.00 43.22 H new ATOM 0 HB3 LEU A 68 -22.439 20.223 -9.480 1.00 43.22 H new ATOM 0 HG LEU A 68 -20.025 18.409 -9.419 1.00 51.25 H new ATOM 0 HD11 LEU A 68 -18.629 20.438 -9.473 1.00 24.14 H new ATOM 0 HD12 LEU A 68 -19.540 20.223 -10.987 1.00 24.14 H new ATOM 0 HD13 LEU A 68 -20.078 21.422 -9.787 1.00 24.14 H new ATOM 0 HD21 LEU A 68 -19.555 19.637 -7.333 1.00 64.42 H new ATOM 0 HD22 LEU A 68 -21.041 20.589 -7.564 1.00 64.42 H new ATOM 0 HD23 LEU A 68 -21.142 18.834 -7.283 1.00 64.42 H new ATOM 1080 N GLN A 69 -24.819 18.053 -10.815 1.00 42.04 N ATOM 1081 CA GLN A 69 -26.240 18.305 -11.023 1.00 5.33 C ATOM 1082 C GLN A 69 -27.090 17.358 -10.183 1.00 43.10 C ATOM 1083 O GLN A 69 -28.048 17.778 -9.531 1.00 34.31 O ATOM 1084 CB GLN A 69 -26.595 18.152 -12.504 1.00 53.44 C ATOM 1085 CG GLN A 69 -27.710 19.077 -12.960 1.00 5.42 C ATOM 1086 CD GLN A 69 -27.261 20.048 -14.035 1.00 23.44 C ATOM 1087 OE1 GLN A 69 -27.437 21.259 -13.908 1.00 52.34 O ATOM 1088 NE2 GLN A 69 -26.677 19.518 -15.104 1.00 35.51 N ATOM 0 H GLN A 69 -24.358 17.570 -11.586 1.00 42.04 H new ATOM 0 HA GLN A 69 -26.452 19.327 -10.710 1.00 5.33 H new ATOM 0 HB2 GLN A 69 -25.706 18.345 -13.104 1.00 53.44 H new ATOM 0 HB3 GLN A 69 -26.890 17.120 -12.694 1.00 53.44 H new ATOM 0 HG2 GLN A 69 -28.540 18.480 -13.339 1.00 5.42 H new ATOM 0 HG3 GLN A 69 -28.085 19.637 -12.104 1.00 5.42 H new ATOM 0 HE21 GLN A 69 -26.551 18.508 -15.168 1.00 35.51 H new ATOM 0 HE22 GLN A 69 -26.354 20.121 -15.861 1.00 35.51 H new ATOM 1097 N THR A 70 -26.737 16.077 -10.204 1.00 14.12 N ATOM 1098 CA THR A 70 -27.468 15.069 -9.446 1.00 11.14 C ATOM 1099 C THR A 70 -26.613 14.502 -8.319 1.00 20.33 C ATOM 1100 O THR A 70 -26.709 13.321 -7.989 1.00 32.52 O ATOM 1101 CB THR A 70 -27.936 13.915 -10.353 1.00 72.22 C ATOM 1102 OG1 THR A 70 -26.878 13.528 -11.237 1.00 23.33 O ATOM 1103 CG2 THR A 70 -29.158 14.324 -11.162 1.00 75.33 C ATOM 0 H THR A 70 -25.948 15.712 -10.738 1.00 14.12 H new ATOM 0 HA THR A 70 -28.341 15.564 -9.021 1.00 11.14 H new ATOM 0 HB THR A 70 -28.207 13.070 -9.720 1.00 72.22 H new ATOM 0 HG1 THR A 70 -27.182 12.793 -11.809 1.00 23.33 H new ATOM 0 HG21 THR A 70 -29.470 13.493 -11.795 1.00 75.33 H new ATOM 0 HG22 THR A 70 -29.970 14.590 -10.485 1.00 75.33 H new ATOM 0 HG23 THR A 70 -28.910 15.182 -11.786 1.00 75.33 H new ATOM 1111 N GLY A 71 -25.776 15.351 -7.731 1.00 2.33 N ATOM 1112 CA GLY A 71 -24.917 14.915 -6.646 1.00 45.24 C ATOM 1113 C GLY A 71 -25.494 15.239 -5.283 1.00 63.22 C ATOM 1114 O GLY A 71 -25.772 16.399 -4.978 1.00 64.12 O ATOM 0 H GLY A 71 -25.678 16.333 -7.987 1.00 2.33 H new ATOM 0 HA2 GLY A 71 -24.757 13.840 -6.723 1.00 45.24 H new ATOM 0 HA3 GLY A 71 -23.941 15.390 -6.746 1.00 45.24 H new ATOM 1118 N SER A 72 -25.678 14.211 -4.459 1.00 35.14 N ATOM 1119 CA SER A 72 -26.231 14.391 -3.122 1.00 25.23 C ATOM 1120 C SER A 72 -25.340 15.301 -2.283 1.00 14.54 C ATOM 1121 O SER A 72 -24.409 15.920 -2.798 1.00 72.32 O ATOM 1122 CB SER A 72 -26.394 13.037 -2.429 1.00 42.25 C ATOM 1123 OG SER A 72 -25.233 12.700 -1.689 1.00 5.44 O ATOM 0 H SER A 72 -25.452 13.245 -4.695 1.00 35.14 H new ATOM 0 HA SER A 72 -27.209 14.861 -3.220 1.00 25.23 H new ATOM 0 HB2 SER A 72 -27.257 13.067 -1.764 1.00 42.25 H new ATOM 0 HB3 SER A 72 -26.592 12.265 -3.173 1.00 42.25 H new ATOM 0 HG SER A 72 -25.363 11.831 -1.254 1.00 5.44 H new ATOM 1129 N GLU A 73 -25.633 15.377 -0.989 1.00 53.31 N ATOM 1130 CA GLU A 73 -24.859 16.212 -0.079 1.00 73.23 C ATOM 1131 C GLU A 73 -23.448 15.658 0.102 1.00 11.33 C ATOM 1132 O GLU A 73 -22.484 16.415 0.213 1.00 21.42 O ATOM 1133 CB GLU A 73 -25.558 16.309 1.279 1.00 73.21 C ATOM 1134 CG GLU A 73 -25.664 14.978 2.006 1.00 13.14 C ATOM 1135 CD GLU A 73 -26.895 14.891 2.886 1.00 52.11 C ATOM 1136 OE1 GLU A 73 -27.983 14.589 2.354 1.00 63.12 O ATOM 1137 OE2 GLU A 73 -26.770 15.125 4.107 1.00 33.34 O ATOM 0 H GLU A 73 -26.400 14.871 -0.548 1.00 53.31 H new ATOM 0 HA GLU A 73 -24.786 17.208 -0.515 1.00 73.23 H new ATOM 0 HB2 GLU A 73 -25.015 17.015 1.908 1.00 73.21 H new ATOM 0 HB3 GLU A 73 -26.559 16.715 1.135 1.00 73.21 H new ATOM 0 HG2 GLU A 73 -25.687 14.170 1.275 1.00 13.14 H new ATOM 0 HG3 GLU A 73 -24.774 14.830 2.617 1.00 13.14 H new ATOM 1144 N GLU A 74 -23.338 14.334 0.130 1.00 71.11 N ATOM 1145 CA GLU A 74 -22.046 13.679 0.298 1.00 13.01 C ATOM 1146 C GLU A 74 -21.122 13.989 -0.877 1.00 70.42 C ATOM 1147 O GLU A 74 -19.909 14.123 -0.709 1.00 22.41 O ATOM 1148 CB GLU A 74 -22.230 12.165 0.431 1.00 14.21 C ATOM 1149 CG GLU A 74 -22.517 11.709 1.851 1.00 53.31 C ATOM 1150 CD GLU A 74 -24.001 11.596 2.139 1.00 12.44 C ATOM 1151 OE1 GLU A 74 -24.648 10.692 1.573 1.00 22.22 O ATOM 1152 OE2 GLU A 74 -24.516 12.414 2.931 1.00 54.41 O ATOM 0 H GLU A 74 -24.127 13.694 0.039 1.00 71.11 H new ATOM 0 HA GLU A 74 -21.588 14.064 1.209 1.00 13.01 H new ATOM 0 HB2 GLU A 74 -23.049 11.849 -0.215 1.00 14.21 H new ATOM 0 HB3 GLU A 74 -21.330 11.665 0.073 1.00 14.21 H new ATOM 0 HG2 GLU A 74 -22.043 10.742 2.021 1.00 53.31 H new ATOM 0 HG3 GLU A 74 -22.067 12.412 2.552 1.00 53.31 H new ATOM 1159 N LEU A 75 -21.704 14.102 -2.065 1.00 21.34 N ATOM 1160 CA LEU A 75 -20.934 14.396 -3.270 1.00 75.02 C ATOM 1161 C LEU A 75 -20.471 15.849 -3.278 1.00 32.44 C ATOM 1162 O LEU A 75 -19.406 16.168 -3.807 1.00 70.10 O ATOM 1163 CB LEU A 75 -21.771 14.108 -4.517 1.00 63.31 C ATOM 1164 CG LEU A 75 -21.000 14.007 -5.834 1.00 23.41 C ATOM 1165 CD1 LEU A 75 -21.654 12.993 -6.759 1.00 65.54 C ATOM 1166 CD2 LEU A 75 -20.916 15.369 -6.508 1.00 55.13 C ATOM 0 H LEU A 75 -22.706 13.995 -2.221 1.00 21.34 H new ATOM 0 HA LEU A 75 -20.054 13.753 -3.275 1.00 75.02 H new ATOM 0 HB2 LEU A 75 -22.309 13.173 -4.361 1.00 63.31 H new ATOM 0 HB3 LEU A 75 -22.520 14.894 -4.617 1.00 63.31 H new ATOM 0 HG LEU A 75 -19.987 13.668 -5.615 1.00 23.41 H new ATOM 0 HD11 LEU A 75 -21.092 12.935 -7.691 1.00 65.54 H new ATOM 0 HD12 LEU A 75 -21.662 12.015 -6.279 1.00 65.54 H new ATOM 0 HD13 LEU A 75 -22.678 13.302 -6.972 1.00 65.54 H new ATOM 0 HD21 LEU A 75 -20.364 15.279 -7.444 1.00 55.13 H new ATOM 0 HD22 LEU A 75 -21.922 15.736 -6.714 1.00 55.13 H new ATOM 0 HD23 LEU A 75 -20.402 16.070 -5.850 1.00 55.13 H new ATOM 1178 N ARG A 76 -21.277 16.725 -2.687 1.00 54.42 N ATOM 1179 CA ARG A 76 -20.949 18.144 -2.626 1.00 52.55 C ATOM 1180 C ARG A 76 -19.660 18.371 -1.840 1.00 10.22 C ATOM 1181 O ARG A 76 -18.731 19.017 -2.325 1.00 0.51 O ATOM 1182 CB ARG A 76 -22.094 18.928 -1.983 1.00 24.42 C ATOM 1183 CG ARG A 76 -22.453 20.203 -2.728 1.00 65.13 C ATOM 1184 CD ARG A 76 -21.717 21.406 -2.159 1.00 64.40 C ATOM 1185 NE ARG A 76 -22.174 21.740 -0.812 1.00 14.32 N ATOM 1186 CZ ARG A 76 -23.365 22.263 -0.549 1.00 44.55 C ATOM 1187 NH1 ARG A 76 -24.218 22.510 -1.533 1.00 15.25 N ATOM 1188 NH2 ARG A 76 -23.708 22.540 0.704 1.00 21.53 N ATOM 0 H ARG A 76 -22.162 16.477 -2.244 1.00 54.42 H new ATOM 0 HA ARG A 76 -20.801 18.500 -3.646 1.00 52.55 H new ATOM 0 HB2 ARG A 76 -22.975 18.289 -1.929 1.00 24.42 H new ATOM 0 HB3 ARG A 76 -21.820 19.181 -0.959 1.00 24.42 H new ATOM 0 HG2 ARG A 76 -22.207 20.090 -3.784 1.00 65.13 H new ATOM 0 HG3 ARG A 76 -23.528 20.371 -2.667 1.00 65.13 H new ATOM 0 HD2 ARG A 76 -20.647 21.200 -2.138 1.00 64.40 H new ATOM 0 HD3 ARG A 76 -21.863 22.264 -2.815 1.00 64.40 H new ATOM 0 HE ARG A 76 -21.543 21.561 -0.031 1.00 14.32 H new ATOM 0 HH11 ARG A 76 -23.960 22.298 -2.497 1.00 15.25 H new ATOM 0 HH12 ARG A 76 -25.132 22.912 -1.326 1.00 15.25 H new ATOM 0 HH21 ARG A 76 -23.056 22.351 1.465 1.00 21.53 H new ATOM 0 HH22 ARG A 76 -24.624 22.942 0.905 1.00 21.53 H new ATOM 1202 N SER A 77 -19.611 17.836 -0.625 1.00 44.12 N ATOM 1203 CA SER A 77 -18.439 17.983 0.230 1.00 4.44 C ATOM 1204 C SER A 77 -17.195 17.427 -0.455 1.00 33.23 C ATOM 1205 O SER A 77 -16.115 18.015 -0.380 1.00 61.11 O ATOM 1206 CB SER A 77 -18.662 17.271 1.565 1.00 21.23 C ATOM 1207 OG SER A 77 -19.760 16.378 1.489 1.00 61.43 O ATOM 0 H SER A 77 -20.370 17.296 -0.210 1.00 44.12 H new ATOM 0 HA SER A 77 -18.286 19.046 0.416 1.00 4.44 H new ATOM 0 HB2 SER A 77 -17.762 16.723 1.843 1.00 21.23 H new ATOM 0 HB3 SER A 77 -18.842 18.008 2.348 1.00 21.23 H new ATOM 0 HG SER A 77 -19.609 15.735 0.765 1.00 61.43 H new ATOM 1213 N LEU A 78 -17.353 16.289 -1.123 1.00 41.43 N ATOM 1214 CA LEU A 78 -16.242 15.652 -1.823 1.00 44.51 C ATOM 1215 C LEU A 78 -15.587 16.621 -2.801 1.00 50.43 C ATOM 1216 O LEU A 78 -14.391 16.898 -2.708 1.00 22.21 O ATOM 1217 CB LEU A 78 -16.731 14.409 -2.568 1.00 72.13 C ATOM 1218 CG LEU A 78 -16.464 13.068 -1.884 1.00 32.11 C ATOM 1219 CD1 LEU A 78 -14.977 12.891 -1.619 1.00 74.43 C ATOM 1220 CD2 LEU A 78 -17.255 12.963 -0.588 1.00 1.50 C ATOM 0 H LEU A 78 -18.239 15.789 -1.195 1.00 41.43 H new ATOM 0 HA LEU A 78 -15.499 15.356 -1.083 1.00 44.51 H new ATOM 0 HB2 LEU A 78 -17.805 14.505 -2.728 1.00 72.13 H new ATOM 0 HB3 LEU A 78 -16.262 14.392 -3.552 1.00 72.13 H new ATOM 0 HG LEU A 78 -16.791 12.270 -2.551 1.00 32.11 H new ATOM 0 HD11 LEU A 78 -14.806 11.931 -1.132 1.00 74.43 H new ATOM 0 HD12 LEU A 78 -14.433 12.921 -2.563 1.00 74.43 H new ATOM 0 HD13 LEU A 78 -14.625 13.694 -0.972 1.00 74.43 H new ATOM 0 HD21 LEU A 78 -17.053 12.002 -0.115 1.00 1.50 H new ATOM 0 HD22 LEU A 78 -16.960 13.768 0.085 1.00 1.50 H new ATOM 0 HD23 LEU A 78 -18.320 13.044 -0.804 1.00 1.50 H new ATOM 1232 N TYR A 79 -16.378 17.135 -3.736 1.00 51.12 N ATOM 1233 CA TYR A 79 -15.874 18.073 -4.731 1.00 13.05 C ATOM 1234 C TYR A 79 -15.063 19.185 -4.072 1.00 14.00 C ATOM 1235 O TYR A 79 -14.030 19.605 -4.591 1.00 51.40 O ATOM 1236 CB TYR A 79 -17.033 18.676 -5.527 1.00 3.41 C ATOM 1237 CG TYR A 79 -16.606 19.314 -6.831 1.00 64.43 C ATOM 1238 CD1 TYR A 79 -15.978 18.566 -7.819 1.00 62.23 C ATOM 1239 CD2 TYR A 79 -16.831 20.663 -7.073 1.00 52.32 C ATOM 1240 CE1 TYR A 79 -15.586 19.145 -9.011 1.00 65.53 C ATOM 1241 CE2 TYR A 79 -16.443 21.250 -8.261 1.00 12.13 C ATOM 1242 CZ TYR A 79 -15.821 20.486 -9.228 1.00 1.21 C ATOM 1243 OH TYR A 79 -15.432 21.066 -10.413 1.00 41.31 O ATOM 0 H TYR A 79 -17.371 16.918 -3.825 1.00 51.12 H new ATOM 0 HA TYR A 79 -15.220 17.525 -5.410 1.00 13.05 H new ATOM 0 HB2 TYR A 79 -17.764 17.895 -5.737 1.00 3.41 H new ATOM 0 HB3 TYR A 79 -17.534 19.425 -4.913 1.00 3.41 H new ATOM 0 HD1 TYR A 79 -15.793 17.515 -7.653 1.00 62.23 H new ATOM 0 HD2 TYR A 79 -17.318 21.263 -6.319 1.00 52.32 H new ATOM 0 HE1 TYR A 79 -15.098 18.550 -9.769 1.00 65.53 H new ATOM 0 HE2 TYR A 79 -16.625 22.301 -8.433 1.00 12.13 H new ATOM 0 HH TYR A 79 -15.672 22.016 -10.406 1.00 41.31 H new ATOM 1253 N ASN A 80 -15.540 19.654 -2.925 1.00 54.32 N ATOM 1254 CA ASN A 80 -14.860 20.717 -2.192 1.00 73.22 C ATOM 1255 C ASN A 80 -13.455 20.284 -1.785 1.00 32.31 C ATOM 1256 O ASN A 80 -12.462 20.864 -2.225 1.00 51.32 O ATOM 1257 CB ASN A 80 -15.666 21.106 -0.951 1.00 50.24 C ATOM 1258 CG ASN A 80 -16.359 22.445 -1.108 1.00 41.32 C ATOM 1259 OD1 ASN A 80 -15.940 23.446 -0.526 1.00 53.41 O ATOM 1260 ND2 ASN A 80 -17.426 22.470 -1.898 1.00 30.10 N ATOM 0 H ASN A 80 -16.394 19.316 -2.482 1.00 54.32 H new ATOM 0 HA ASN A 80 -14.778 21.583 -2.849 1.00 73.22 H new ATOM 0 HB2 ASN A 80 -16.411 20.336 -0.749 1.00 50.24 H new ATOM 0 HB3 ASN A 80 -15.003 21.142 -0.087 1.00 50.24 H new ATOM 0 HD21 ASN A 80 -17.933 23.343 -2.042 1.00 30.10 H new ATOM 0 HD22 ASN A 80 -17.738 21.616 -2.361 1.00 30.10 H new ATOM 1267 N THR A 81 -13.378 19.259 -0.942 1.00 61.15 N ATOM 1268 CA THR A 81 -12.096 18.748 -0.474 1.00 23.01 C ATOM 1269 C THR A 81 -11.195 18.370 -1.645 1.00 43.25 C ATOM 1270 O THR A 81 -10.081 18.879 -1.771 1.00 34.12 O ATOM 1271 CB THR A 81 -12.280 17.518 0.435 1.00 61.44 C ATOM 1272 OG1 THR A 81 -13.247 17.801 1.453 1.00 32.33 O ATOM 1273 CG2 THR A 81 -10.960 17.119 1.079 1.00 51.20 C ATOM 0 H THR A 81 -14.189 18.766 -0.569 1.00 61.15 H new ATOM 0 HA THR A 81 -11.627 19.547 0.099 1.00 23.01 H new ATOM 0 HB THR A 81 -12.632 16.689 -0.179 1.00 61.44 H new ATOM 0 HG1 THR A 81 -13.136 17.170 2.194 1.00 32.33 H new ATOM 0 HG21 THR A 81 -11.115 16.248 1.716 1.00 51.20 H new ATOM 0 HG22 THR A 81 -10.235 16.876 0.302 1.00 51.20 H new ATOM 0 HG23 THR A 81 -10.584 17.947 1.680 1.00 51.20 H new ATOM 1281 N ILE A 82 -11.684 17.476 -2.498 1.00 42.33 N ATOM 1282 CA ILE A 82 -10.923 17.033 -3.659 1.00 53.33 C ATOM 1283 C ILE A 82 -10.373 18.221 -4.442 1.00 74.34 C ATOM 1284 O ILE A 82 -9.215 18.220 -4.859 1.00 63.30 O ATOM 1285 CB ILE A 82 -11.783 16.168 -4.599 1.00 74.11 C ATOM 1286 CG1 ILE A 82 -12.320 14.945 -3.852 1.00 41.11 C ATOM 1287 CG2 ILE A 82 -10.972 15.739 -5.813 1.00 52.03 C ATOM 1288 CD1 ILE A 82 -13.547 14.336 -4.493 1.00 4.45 C ATOM 0 H ILE A 82 -12.604 17.045 -2.407 1.00 42.33 H new ATOM 0 HA ILE A 82 -10.094 16.433 -3.283 1.00 53.33 H new ATOM 0 HB ILE A 82 -12.630 16.762 -4.943 1.00 74.11 H new ATOM 0 HG12 ILE A 82 -11.536 14.190 -3.797 1.00 41.11 H new ATOM 0 HG13 ILE A 82 -12.559 15.231 -2.828 1.00 41.11 H new ATOM 0 HG21 ILE A 82 -11.593 15.128 -6.468 1.00 52.03 H new ATOM 0 HG22 ILE A 82 -10.632 16.622 -6.354 1.00 52.03 H new ATOM 0 HG23 ILE A 82 -10.109 15.159 -5.487 1.00 52.03 H new ATOM 0 HD11 ILE A 82 -13.872 13.474 -3.910 1.00 4.45 H new ATOM 0 HD12 ILE A 82 -14.347 15.076 -4.524 1.00 4.45 H new ATOM 0 HD13 ILE A 82 -13.308 14.018 -5.508 1.00 4.45 H new ATOM 1300 N ALA A 83 -11.210 19.235 -4.635 1.00 62.20 N ATOM 1301 CA ALA A 83 -10.807 20.431 -5.364 1.00 75.15 C ATOM 1302 C ALA A 83 -9.550 21.045 -4.757 1.00 13.44 C ATOM 1303 O ALA A 83 -8.635 21.449 -5.476 1.00 21.51 O ATOM 1304 CB ALA A 83 -11.939 21.446 -5.378 1.00 44.42 C ATOM 0 H ALA A 83 -12.172 19.252 -4.296 1.00 62.20 H new ATOM 0 HA ALA A 83 -10.580 20.143 -6.390 1.00 75.15 H new ATOM 0 HB1 ALA A 83 -11.624 22.334 -5.926 1.00 44.42 H new ATOM 0 HB2 ALA A 83 -12.812 21.010 -5.864 1.00 44.42 H new ATOM 0 HB3 ALA A 83 -12.193 21.722 -4.355 1.00 44.42 H new ATOM 1310 N VAL A 84 -9.512 21.114 -3.430 1.00 52.22 N ATOM 1311 CA VAL A 84 -8.367 21.680 -2.727 1.00 34.32 C ATOM 1312 C VAL A 84 -7.168 20.739 -2.783 1.00 63.44 C ATOM 1313 O VAL A 84 -6.057 21.149 -3.120 1.00 2.50 O ATOM 1314 CB VAL A 84 -8.703 21.978 -1.254 1.00 2.14 C ATOM 1315 CG1 VAL A 84 -7.593 22.791 -0.606 1.00 30.11 C ATOM 1316 CG2 VAL A 84 -10.037 22.703 -1.150 1.00 23.10 C ATOM 0 H VAL A 84 -10.261 20.785 -2.820 1.00 52.22 H new ATOM 0 HA VAL A 84 -8.117 22.614 -3.230 1.00 34.32 H new ATOM 0 HB VAL A 84 -8.786 21.032 -0.719 1.00 2.14 H new ATOM 0 HG11 VAL A 84 -7.849 22.992 0.434 1.00 30.11 H new ATOM 0 HG12 VAL A 84 -6.659 22.231 -0.649 1.00 30.11 H new ATOM 0 HG13 VAL A 84 -7.474 23.734 -1.139 1.00 30.11 H new ATOM 0 HG21 VAL A 84 -10.260 22.906 -0.103 1.00 23.10 H new ATOM 0 HG22 VAL A 84 -9.984 23.643 -1.699 1.00 23.10 H new ATOM 0 HG23 VAL A 84 -10.824 22.079 -1.574 1.00 23.10 H new ATOM 1326 N LEU A 85 -7.401 19.474 -2.449 1.00 30.34 N ATOM 1327 CA LEU A 85 -6.341 18.472 -2.461 1.00 14.12 C ATOM 1328 C LEU A 85 -5.691 18.383 -3.838 1.00 10.32 C ATOM 1329 O LEU A 85 -4.492 18.622 -3.987 1.00 4.14 O ATOM 1330 CB LEU A 85 -6.898 17.106 -2.058 1.00 43.44 C ATOM 1331 CG LEU A 85 -5.880 16.095 -1.530 1.00 42.24 C ATOM 1332 CD1 LEU A 85 -5.885 16.077 -0.009 1.00 61.40 C ATOM 1333 CD2 LEU A 85 -6.171 14.707 -2.083 1.00 15.15 C ATOM 0 H LEU A 85 -8.314 19.118 -2.167 1.00 30.34 H new ATOM 0 HA LEU A 85 -5.581 18.774 -1.740 1.00 14.12 H new ATOM 0 HB2 LEU A 85 -7.659 17.258 -1.293 1.00 43.44 H new ATOM 0 HB3 LEU A 85 -7.398 16.670 -2.923 1.00 43.44 H new ATOM 0 HG LEU A 85 -4.888 16.397 -1.866 1.00 42.24 H new ATOM 0 HD11 LEU A 85 -5.154 15.352 0.349 1.00 61.40 H new ATOM 0 HD12 LEU A 85 -5.628 17.067 0.367 1.00 61.40 H new ATOM 0 HD13 LEU A 85 -6.877 15.799 0.348 1.00 61.40 H new ATOM 0 HD21 LEU A 85 -5.437 14.000 -1.697 1.00 15.15 H new ATOM 0 HD22 LEU A 85 -7.170 14.396 -1.778 1.00 15.15 H new ATOM 0 HD23 LEU A 85 -6.115 14.730 -3.171 1.00 15.15 H new ATOM 1345 N TYR A 86 -6.490 18.040 -4.843 1.00 51.33 N ATOM 1346 CA TYR A 86 -5.993 17.920 -6.207 1.00 20.04 C ATOM 1347 C TYR A 86 -5.095 19.100 -6.567 1.00 33.30 C ATOM 1348 O TYR A 86 -4.008 18.921 -7.117 1.00 60.43 O ATOM 1349 CB TYR A 86 -7.161 17.835 -7.192 1.00 13.31 C ATOM 1350 CG TYR A 86 -6.746 17.986 -8.638 1.00 62.30 C ATOM 1351 CD1 TYR A 86 -6.260 16.902 -9.358 1.00 61.51 C ATOM 1352 CD2 TYR A 86 -6.841 19.212 -9.285 1.00 51.44 C ATOM 1353 CE1 TYR A 86 -5.879 17.034 -10.680 1.00 52.34 C ATOM 1354 CE2 TYR A 86 -6.464 19.354 -10.607 1.00 40.25 C ATOM 1355 CZ TYR A 86 -5.983 18.262 -11.299 1.00 44.45 C ATOM 1356 OH TYR A 86 -5.606 18.399 -12.616 1.00 41.45 O ATOM 0 H TYR A 86 -7.485 17.840 -4.738 1.00 51.33 H new ATOM 0 HA TYR A 86 -5.403 17.006 -6.272 1.00 20.04 H new ATOM 0 HB2 TYR A 86 -7.663 16.876 -7.065 1.00 13.31 H new ATOM 0 HB3 TYR A 86 -7.888 18.610 -6.949 1.00 13.31 H new ATOM 0 HD1 TYR A 86 -6.178 15.939 -8.876 1.00 61.51 H new ATOM 0 HD2 TYR A 86 -7.216 20.069 -8.745 1.00 51.44 H new ATOM 0 HE1 TYR A 86 -5.502 16.181 -11.225 1.00 52.34 H new ATOM 0 HE2 TYR A 86 -6.545 20.314 -11.095 1.00 40.25 H new ATOM 0 HH TYR A 86 -5.743 19.327 -12.901 1.00 41.45 H new ATOM 1366 N CYS A 87 -5.557 20.303 -6.251 1.00 50.51 N ATOM 1367 CA CYS A 87 -4.797 21.515 -6.540 1.00 62.21 C ATOM 1368 C CYS A 87 -3.437 21.479 -5.852 1.00 34.04 C ATOM 1369 O CYS A 87 -2.420 21.849 -6.441 1.00 24.52 O ATOM 1370 CB CYS A 87 -5.577 22.751 -6.091 1.00 61.32 C ATOM 1371 SG CYS A 87 -6.576 23.508 -7.395 1.00 61.52 S ATOM 0 H CYS A 87 -6.454 20.467 -5.794 1.00 50.51 H new ATOM 0 HA CYS A 87 -4.638 21.567 -7.617 1.00 62.21 H new ATOM 0 HB2 CYS A 87 -6.229 22.475 -5.263 1.00 61.32 H new ATOM 0 HB3 CYS A 87 -4.874 23.492 -5.710 1.00 61.32 H new ATOM 0 HG CYS A 87 -7.621 24.073 -6.868 1.00 61.52 H new ATOM 1377 N VAL A 88 -3.423 21.033 -4.600 1.00 64.40 N ATOM 1378 CA VAL A 88 -2.188 20.950 -3.831 1.00 60.10 C ATOM 1379 C VAL A 88 -1.137 20.125 -4.567 1.00 43.43 C ATOM 1380 O VAL A 88 0.056 20.425 -4.506 1.00 12.24 O ATOM 1381 CB VAL A 88 -2.431 20.328 -2.442 1.00 2.20 C ATOM 1382 CG1 VAL A 88 -1.146 20.317 -1.629 1.00 71.50 C ATOM 1383 CG2 VAL A 88 -3.530 21.082 -1.707 1.00 22.14 C ATOM 0 H VAL A 88 -4.254 20.723 -4.097 1.00 64.40 H new ATOM 0 HA VAL A 88 -1.825 21.970 -3.706 1.00 60.10 H new ATOM 0 HB VAL A 88 -2.756 19.296 -2.577 1.00 2.20 H new ATOM 0 HG11 VAL A 88 -1.338 19.874 -0.652 1.00 71.50 H new ATOM 0 HG12 VAL A 88 -0.390 19.730 -2.151 1.00 71.50 H new ATOM 0 HG13 VAL A 88 -0.788 21.338 -1.501 1.00 71.50 H new ATOM 0 HG21 VAL A 88 -3.689 20.630 -0.728 1.00 22.14 H new ATOM 0 HG22 VAL A 88 -3.235 22.124 -1.582 1.00 22.14 H new ATOM 0 HG23 VAL A 88 -4.454 21.033 -2.284 1.00 22.14 H new ATOM 1393 N HIS A 89 -1.588 19.086 -5.261 1.00 1.33 N ATOM 1394 CA HIS A 89 -0.686 18.218 -6.012 1.00 63.33 C ATOM 1395 C HIS A 89 -0.160 18.927 -7.255 1.00 10.52 C ATOM 1396 O HIS A 89 1.000 18.691 -7.592 1.00 52.21 O ATOM 1397 CB HIS A 89 -1.402 16.928 -6.411 1.00 32.41 C ATOM 1398 CG HIS A 89 -1.731 16.040 -5.250 1.00 1.31 C ATOM 1399 ND1 HIS A 89 -0.892 15.874 -4.168 1.00 4.12 N ATOM 1400 CD2 HIS A 89 -2.817 15.270 -5.004 1.00 11.33 C ATOM 1401 CE1 HIS A 89 -1.448 15.039 -3.308 1.00 32.40 C ATOM 1402 NE2 HIS A 89 -2.616 14.659 -3.792 1.00 23.21 N ATOM 0 H HIS A 89 -2.572 18.824 -5.320 1.00 1.33 H new ATOM 0 HA HIS A 89 0.160 17.972 -5.371 1.00 63.33 H new ATOM 0 HB2 HIS A 89 -2.323 17.181 -6.936 1.00 32.41 H new ATOM 0 HB3 HIS A 89 -0.776 16.377 -7.113 1.00 32.41 H new ATOM 0 HD1 HIS A 89 0.015 16.325 -4.050 1.00 4.12 H new ATOM 0 HD2 HIS A 89 -3.681 15.158 -5.643 1.00 11.33 H new ATOM 0 HE1 HIS A 89 -1.020 14.721 -2.369 1.00 32.40 H new ATOM 1411 N GLN A 90 -0.952 19.761 -7.922 1.00 62.13 N ATOM 1412 CA GLN A 90 -0.493 20.460 -9.116 1.00 40.11 C ATOM 1413 C GLN A 90 0.212 21.762 -8.747 1.00 3.03 C ATOM 1414 O GLN A 90 0.209 22.720 -9.519 1.00 0.33 O ATOM 1415 CB GLN A 90 -1.671 20.750 -10.048 1.00 74.31 C ATOM 1416 CG GLN A 90 -1.257 21.017 -11.487 1.00 53.32 C ATOM 1417 CD GLN A 90 -0.776 19.767 -12.197 1.00 44.15 C ATOM 1418 OE1 GLN A 90 -1.008 18.648 -11.735 1.00 11.41 O ATOM 1419 NE2 GLN A 90 -0.103 19.950 -13.327 1.00 60.51 N ATOM 0 H GLN A 90 -1.914 19.969 -7.655 1.00 62.13 H new ATOM 0 HA GLN A 90 0.219 19.816 -9.632 1.00 40.11 H new ATOM 0 HB2 GLN A 90 -2.357 19.903 -10.027 1.00 74.31 H new ATOM 0 HB3 GLN A 90 -2.219 21.613 -9.670 1.00 74.31 H new ATOM 0 HG2 GLN A 90 -2.102 21.438 -12.032 1.00 53.32 H new ATOM 0 HG3 GLN A 90 -0.465 21.766 -11.500 1.00 53.32 H new ATOM 0 HE21 GLN A 90 0.066 20.895 -13.673 1.00 60.51 H new ATOM 0 HE22 GLN A 90 0.245 19.146 -13.849 1.00 60.51 H new ATOM 1428 N ARG A 91 0.814 21.788 -7.563 1.00 22.33 N ATOM 1429 CA ARG A 91 1.520 22.973 -7.091 1.00 31.31 C ATOM 1430 C ARG A 91 0.617 24.201 -7.142 1.00 63.33 C ATOM 1431 O ARG A 91 1.072 25.307 -7.433 1.00 52.21 O ATOM 1432 CB ARG A 91 2.774 23.214 -7.935 1.00 74.14 C ATOM 1433 CG ARG A 91 4.003 23.563 -7.112 1.00 41.44 C ATOM 1434 CD ARG A 91 5.010 24.360 -7.926 1.00 73.03 C ATOM 1435 NE ARG A 91 5.583 23.570 -9.012 1.00 10.02 N ATOM 1436 CZ ARG A 91 6.412 24.066 -9.924 1.00 43.25 C ATOM 1437 NH1 ARG A 91 6.764 25.345 -9.880 1.00 24.43 N ATOM 1438 NH2 ARG A 91 6.892 23.284 -10.882 1.00 4.04 N ATOM 0 H ARG A 91 0.827 21.002 -6.913 1.00 22.33 H new ATOM 0 HA ARG A 91 1.813 22.802 -6.055 1.00 31.31 H new ATOM 0 HB2 ARG A 91 2.983 22.321 -8.524 1.00 74.14 H new ATOM 0 HB3 ARG A 91 2.578 24.022 -8.640 1.00 74.14 H new ATOM 0 HG2 ARG A 91 3.704 24.139 -6.236 1.00 41.44 H new ATOM 0 HG3 ARG A 91 4.470 22.648 -6.748 1.00 41.44 H new ATOM 0 HD2 ARG A 91 4.524 25.244 -8.338 1.00 73.03 H new ATOM 0 HD3 ARG A 91 5.809 24.711 -7.272 1.00 73.03 H new ATOM 0 HE ARG A 91 5.333 22.583 -9.074 1.00 10.02 H new ATOM 0 HH11 ARG A 91 6.398 25.950 -9.145 1.00 24.43 H new ATOM 0 HH12 ARG A 91 7.401 25.723 -10.581 1.00 24.43 H new ATOM 0 HH21 ARG A 91 6.625 22.300 -10.919 1.00 4.04 H new ATOM 0 HH22 ARG A 91 7.528 23.666 -11.581 1.00 4.04 H new ATOM 1452 N ILE A 92 -0.665 23.998 -6.856 1.00 42.31 N ATOM 1453 CA ILE A 92 -1.632 25.089 -6.869 1.00 73.23 C ATOM 1454 C ILE A 92 -1.942 25.564 -5.453 1.00 43.41 C ATOM 1455 O ILE A 92 -2.519 24.829 -4.652 1.00 31.30 O ATOM 1456 CB ILE A 92 -2.945 24.670 -7.557 1.00 53.23 C ATOM 1457 CG1 ILE A 92 -2.671 24.216 -8.991 1.00 24.23 C ATOM 1458 CG2 ILE A 92 -3.942 25.819 -7.540 1.00 54.51 C ATOM 1459 CD1 ILE A 92 -3.885 23.637 -9.684 1.00 62.11 C ATOM 0 H ILE A 92 -1.058 23.089 -6.613 1.00 42.31 H new ATOM 0 HA ILE A 92 -1.181 25.905 -7.434 1.00 73.23 H new ATOM 0 HB ILE A 92 -3.376 23.833 -7.007 1.00 53.23 H new ATOM 0 HG12 ILE A 92 -2.303 25.064 -9.568 1.00 24.23 H new ATOM 0 HG13 ILE A 92 -1.877 23.469 -8.982 1.00 24.23 H new ATOM 0 HG21 ILE A 92 -4.865 25.507 -8.030 1.00 54.51 H new ATOM 0 HG22 ILE A 92 -4.156 26.100 -6.509 1.00 54.51 H new ATOM 0 HG23 ILE A 92 -3.521 26.674 -8.069 1.00 54.51 H new ATOM 0 HD11 ILE A 92 -3.617 23.336 -10.697 1.00 62.11 H new ATOM 0 HD12 ILE A 92 -4.241 22.768 -9.130 1.00 62.11 H new ATOM 0 HD13 ILE A 92 -4.673 24.389 -9.725 1.00 62.11 H new ATOM 1471 N ASP A 93 -1.556 26.799 -5.152 1.00 2.25 N ATOM 1472 CA ASP A 93 -1.796 27.375 -3.834 1.00 54.11 C ATOM 1473 C ASP A 93 -3.045 28.252 -3.842 1.00 31.21 C ATOM 1474 O ASP A 93 -3.123 29.231 -4.584 1.00 4.31 O ATOM 1475 CB ASP A 93 -0.586 28.195 -3.384 1.00 14.13 C ATOM 1476 CG ASP A 93 -0.575 28.440 -1.888 1.00 3.41 C ATOM 1477 OD1 ASP A 93 -1.417 27.845 -1.184 1.00 3.11 O ATOM 1478 OD2 ASP A 93 0.276 29.227 -1.421 1.00 25.12 O ATOM 0 H ASP A 93 -1.076 27.420 -5.803 1.00 2.25 H new ATOM 0 HA ASP A 93 -1.953 26.557 -3.131 1.00 54.11 H new ATOM 0 HB2 ASP A 93 0.328 27.675 -3.671 1.00 14.13 H new ATOM 0 HB3 ASP A 93 -0.585 29.152 -3.906 1.00 14.13 H new ATOM 1483 N VAL A 94 -4.019 27.891 -3.013 1.00 4.53 N ATOM 1484 CA VAL A 94 -5.265 28.644 -2.925 1.00 3.23 C ATOM 1485 C VAL A 94 -5.409 29.310 -1.560 1.00 23.34 C ATOM 1486 O VAL A 94 -5.064 28.726 -0.533 1.00 14.14 O ATOM 1487 CB VAL A 94 -6.486 27.741 -3.175 1.00 25.50 C ATOM 1488 CG1 VAL A 94 -6.425 27.133 -4.568 1.00 4.53 C ATOM 1489 CG2 VAL A 94 -6.570 26.653 -2.115 1.00 64.32 C ATOM 0 H VAL A 94 -3.970 27.082 -2.393 1.00 4.53 H new ATOM 0 HA VAL A 94 -5.227 29.411 -3.698 1.00 3.23 H new ATOM 0 HB VAL A 94 -7.386 28.352 -3.110 1.00 25.50 H new ATOM 0 HG11 VAL A 94 -7.297 26.498 -4.726 1.00 4.53 H new ATOM 0 HG12 VAL A 94 -6.416 27.929 -5.312 1.00 4.53 H new ATOM 0 HG13 VAL A 94 -5.518 26.536 -4.665 1.00 4.53 H new ATOM 0 HG21 VAL A 94 -7.439 26.024 -2.307 1.00 64.32 H new ATOM 0 HG22 VAL A 94 -5.667 26.044 -2.147 1.00 64.32 H new ATOM 0 HG23 VAL A 94 -6.664 27.111 -1.130 1.00 64.32 H new ATOM 1499 N LYS A 95 -5.923 30.535 -1.558 1.00 64.41 N ATOM 1500 CA LYS A 95 -6.117 31.281 -0.319 1.00 33.25 C ATOM 1501 C LYS A 95 -7.205 30.642 0.537 1.00 13.35 C ATOM 1502 O LYS A 95 -7.262 30.858 1.747 1.00 64.34 O ATOM 1503 CB LYS A 95 -6.483 32.735 -0.628 1.00 70.31 C ATOM 1504 CG LYS A 95 -5.345 33.712 -0.391 1.00 54.11 C ATOM 1505 CD LYS A 95 -5.073 34.561 -1.622 1.00 72.33 C ATOM 1506 CE LYS A 95 -4.343 33.769 -2.696 1.00 51.11 C ATOM 1507 NZ LYS A 95 -3.074 34.430 -3.106 1.00 75.32 N ATOM 0 H LYS A 95 -6.213 31.033 -2.400 1.00 64.41 H new ATOM 0 HA LYS A 95 -5.181 31.259 0.240 1.00 33.25 H new ATOM 0 HB2 LYS A 95 -6.802 32.807 -1.668 1.00 70.31 H new ATOM 0 HB3 LYS A 95 -7.334 33.025 -0.012 1.00 70.31 H new ATOM 0 HG2 LYS A 95 -5.589 34.359 0.452 1.00 54.11 H new ATOM 0 HG3 LYS A 95 -4.443 33.163 -0.120 1.00 54.11 H new ATOM 0 HD2 LYS A 95 -6.015 34.936 -2.022 1.00 72.33 H new ATOM 0 HD3 LYS A 95 -4.478 35.430 -1.342 1.00 72.33 H new ATOM 0 HE2 LYS A 95 -4.127 32.767 -2.325 1.00 51.11 H new ATOM 0 HE3 LYS A 95 -4.990 33.654 -3.566 1.00 51.11 H new ATOM 0 HZ1 LYS A 95 -2.606 33.859 -3.839 1.00 75.32 H new ATOM 0 HZ2 LYS A 95 -3.282 35.376 -3.484 1.00 75.32 H new ATOM 0 HZ3 LYS A 95 -2.446 34.517 -2.282 1.00 75.32 H new ATOM 1521 N ASP A 96 -8.066 29.855 -0.100 1.00 43.23 N ATOM 1522 CA ASP A 96 -9.151 29.183 0.605 1.00 22.11 C ATOM 1523 C ASP A 96 -9.907 28.244 -0.331 1.00 71.54 C ATOM 1524 O ASP A 96 -9.653 28.213 -1.535 1.00 34.41 O ATOM 1525 CB ASP A 96 -10.114 30.210 1.202 1.00 52.21 C ATOM 1526 CG ASP A 96 -10.331 31.400 0.289 1.00 22.03 C ATOM 1527 OD1 ASP A 96 -11.008 31.236 -0.749 1.00 74.10 O ATOM 1528 OD2 ASP A 96 -9.826 32.495 0.610 1.00 45.44 O ATOM 0 H ASP A 96 -8.033 29.667 -1.102 1.00 43.23 H new ATOM 0 HA ASP A 96 -8.716 28.593 1.411 1.00 22.11 H new ATOM 0 HB2 ASP A 96 -11.072 29.731 1.403 1.00 52.21 H new ATOM 0 HB3 ASP A 96 -9.723 30.556 2.159 1.00 52.21 H new ATOM 1533 N THR A 97 -10.836 27.477 0.231 1.00 61.04 N ATOM 1534 CA THR A 97 -11.627 26.536 -0.551 1.00 42.13 C ATOM 1535 C THR A 97 -12.480 27.261 -1.584 1.00 25.33 C ATOM 1536 O THR A 97 -13.010 26.645 -2.510 1.00 51.21 O ATOM 1537 CB THR A 97 -12.543 25.687 0.350 1.00 61.54 C ATOM 1538 OG1 THR A 97 -11.764 25.016 1.348 1.00 30.41 O ATOM 1539 CG2 THR A 97 -13.312 24.664 -0.472 1.00 61.54 C ATOM 0 H THR A 97 -11.059 27.489 1.226 1.00 61.04 H new ATOM 0 HA THR A 97 -10.923 25.879 -1.062 1.00 42.13 H new ATOM 0 HB THR A 97 -13.258 26.353 0.834 1.00 61.54 H new ATOM 0 HG1 THR A 97 -11.279 25.678 1.884 1.00 30.41 H new ATOM 0 HG21 THR A 97 -13.952 24.076 0.186 1.00 61.54 H new ATOM 0 HG22 THR A 97 -13.926 25.179 -1.211 1.00 61.54 H new ATOM 0 HG23 THR A 97 -12.610 24.003 -0.980 1.00 61.54 H new ATOM 1547 N LYS A 98 -12.611 28.574 -1.422 1.00 24.30 N ATOM 1548 CA LYS A 98 -13.399 29.384 -2.342 1.00 62.10 C ATOM 1549 C LYS A 98 -12.633 29.640 -3.636 1.00 64.11 C ATOM 1550 O LYS A 98 -13.135 29.376 -4.727 1.00 30.42 O ATOM 1551 CB LYS A 98 -13.775 30.716 -1.687 1.00 23.54 C ATOM 1552 CG LYS A 98 -15.132 31.244 -2.118 1.00 31.22 C ATOM 1553 CD LYS A 98 -14.998 32.480 -2.993 1.00 31.33 C ATOM 1554 CE LYS A 98 -15.072 33.756 -2.169 1.00 34.41 C ATOM 1555 NZ LYS A 98 -13.717 34.267 -1.815 1.00 25.24 N ATOM 0 H LYS A 98 -12.181 29.099 -0.661 1.00 24.30 H new ATOM 0 HA LYS A 98 -14.309 28.834 -2.583 1.00 62.10 H new ATOM 0 HB2 LYS A 98 -13.770 30.593 -0.604 1.00 23.54 H new ATOM 0 HB3 LYS A 98 -13.013 31.457 -1.927 1.00 23.54 H new ATOM 0 HG2 LYS A 98 -15.669 30.468 -2.663 1.00 31.22 H new ATOM 0 HG3 LYS A 98 -15.727 31.484 -1.237 1.00 31.22 H new ATOM 0 HD2 LYS A 98 -14.050 32.446 -3.529 1.00 31.33 H new ATOM 0 HD3 LYS A 98 -15.789 32.484 -3.743 1.00 31.33 H new ATOM 0 HE2 LYS A 98 -15.613 34.519 -2.729 1.00 34.41 H new ATOM 0 HE3 LYS A 98 -15.639 33.567 -1.257 1.00 34.41 H new ATOM 0 HZ1 LYS A 98 -13.810 35.138 -1.254 1.00 25.24 H new ATOM 0 HZ2 LYS A 98 -13.210 33.549 -1.259 1.00 25.24 H new ATOM 0 HZ3 LYS A 98 -13.185 34.471 -2.685 1.00 25.24 H new ATOM 1569 N GLU A 99 -11.414 30.154 -3.504 1.00 40.53 N ATOM 1570 CA GLU A 99 -10.579 30.444 -4.664 1.00 42.34 C ATOM 1571 C GLU A 99 -10.152 29.157 -5.363 1.00 25.01 C ATOM 1572 O GLU A 99 -9.727 29.177 -6.518 1.00 41.11 O ATOM 1573 CB GLU A 99 -9.343 31.242 -4.243 1.00 1.21 C ATOM 1574 CG GLU A 99 -9.190 32.562 -4.980 1.00 5.14 C ATOM 1575 CD GLU A 99 -9.500 33.760 -4.103 1.00 34.25 C ATOM 1576 OE1 GLU A 99 -10.689 33.973 -3.787 1.00 75.33 O ATOM 1577 OE2 GLU A 99 -8.552 34.484 -3.734 1.00 2.15 O ATOM 0 H GLU A 99 -10.983 30.378 -2.607 1.00 40.53 H new ATOM 0 HA GLU A 99 -11.167 31.039 -5.363 1.00 42.34 H new ATOM 0 HB2 GLU A 99 -9.395 31.438 -3.172 1.00 1.21 H new ATOM 0 HB3 GLU A 99 -8.454 30.635 -4.414 1.00 1.21 H new ATOM 0 HG2 GLU A 99 -8.171 32.647 -5.357 1.00 5.14 H new ATOM 0 HG3 GLU A 99 -9.852 32.569 -5.846 1.00 5.14 H new ATOM 1584 N ALA A 100 -10.271 28.039 -4.654 1.00 14.22 N ATOM 1585 CA ALA A 100 -9.899 26.742 -5.206 1.00 53.21 C ATOM 1586 C ALA A 100 -10.935 26.257 -6.214 1.00 2.34 C ATOM 1587 O ALA A 100 -10.609 25.539 -7.160 1.00 75.11 O ATOM 1588 CB ALA A 100 -9.729 25.722 -4.090 1.00 73.03 C ATOM 0 H ALA A 100 -10.622 28.005 -3.697 1.00 14.22 H new ATOM 0 HA ALA A 100 -8.948 26.856 -5.727 1.00 53.21 H new ATOM 0 HB1 ALA A 100 -9.451 24.758 -4.517 1.00 73.03 H new ATOM 0 HB2 ALA A 100 -8.947 26.056 -3.408 1.00 73.03 H new ATOM 0 HB3 ALA A 100 -10.667 25.620 -3.544 1.00 73.03 H new ATOM 1594 N LEU A 101 -12.186 26.654 -6.007 1.00 73.01 N ATOM 1595 CA LEU A 101 -13.271 26.259 -6.898 1.00 3.15 C ATOM 1596 C LEU A 101 -13.279 27.116 -8.160 1.00 42.43 C ATOM 1597 O LEU A 101 -13.672 26.658 -9.233 1.00 62.54 O ATOM 1598 CB LEU A 101 -14.616 26.378 -6.179 1.00 63.01 C ATOM 1599 CG LEU A 101 -15.546 25.169 -6.290 1.00 22.35 C ATOM 1600 CD1 LEU A 101 -15.797 24.821 -7.750 1.00 54.41 C ATOM 1601 CD2 LEU A 101 -14.961 23.976 -5.550 1.00 74.24 C ATOM 0 H LEU A 101 -12.474 27.249 -5.230 1.00 73.01 H new ATOM 0 HA LEU A 101 -13.111 25.220 -7.187 1.00 3.15 H new ATOM 0 HB2 LEU A 101 -14.425 26.568 -5.123 1.00 63.01 H new ATOM 0 HB3 LEU A 101 -15.139 27.250 -6.571 1.00 63.01 H new ATOM 0 HG LEU A 101 -16.500 25.425 -5.829 1.00 22.35 H new ATOM 0 HD11 LEU A 101 -16.461 23.958 -7.810 1.00 54.41 H new ATOM 0 HD12 LEU A 101 -16.260 25.670 -8.252 1.00 54.41 H new ATOM 0 HD13 LEU A 101 -14.850 24.584 -8.236 1.00 54.41 H new ATOM 0 HD21 LEU A 101 -15.636 23.125 -5.640 1.00 74.24 H new ATOM 0 HD22 LEU A 101 -13.994 23.719 -5.982 1.00 74.24 H new ATOM 0 HD23 LEU A 101 -14.833 24.228 -4.497 1.00 74.24 H new ATOM 1613 N ASP A 102 -12.842 28.364 -8.024 1.00 24.32 N ATOM 1614 CA ASP A 102 -12.795 29.285 -9.153 1.00 21.22 C ATOM 1615 C ASP A 102 -11.585 29.000 -10.038 1.00 52.30 C ATOM 1616 O ASP A 102 -11.697 28.939 -11.262 1.00 42.21 O ATOM 1617 CB ASP A 102 -12.752 30.732 -8.658 1.00 21.42 C ATOM 1618 CG ASP A 102 -13.937 31.545 -9.140 1.00 24.31 C ATOM 1619 OD1 ASP A 102 -15.083 31.184 -8.797 1.00 70.21 O ATOM 1620 OD2 ASP A 102 -13.719 32.542 -9.859 1.00 53.23 O ATOM 0 H ASP A 102 -12.515 28.760 -7.143 1.00 24.32 H new ATOM 0 HA ASP A 102 -13.698 29.139 -9.746 1.00 21.22 H new ATOM 0 HB2 ASP A 102 -12.729 30.739 -7.568 1.00 21.42 H new ATOM 0 HB3 ASP A 102 -11.830 31.202 -8.999 1.00 21.42 H new ATOM 1625 N LYS A 103 -10.427 28.827 -9.409 1.00 3.03 N ATOM 1626 CA LYS A 103 -9.195 28.549 -10.137 1.00 11.12 C ATOM 1627 C LYS A 103 -9.329 27.274 -10.964 1.00 13.54 C ATOM 1628 O LYS A 103 -8.783 27.178 -12.064 1.00 1.24 O ATOM 1629 CB LYS A 103 -8.022 28.416 -9.163 1.00 4.22 C ATOM 1630 CG LYS A 103 -7.143 29.654 -9.097 1.00 22.44 C ATOM 1631 CD LYS A 103 -7.720 30.698 -8.158 1.00 61.15 C ATOM 1632 CE LYS A 103 -6.890 31.973 -8.164 1.00 62.32 C ATOM 1633 NZ LYS A 103 -6.817 32.579 -9.521 1.00 12.24 N ATOM 0 H LYS A 103 -10.316 28.875 -8.396 1.00 3.03 H new ATOM 0 HA LYS A 103 -9.005 29.383 -10.813 1.00 11.12 H new ATOM 0 HB2 LYS A 103 -8.410 28.203 -8.167 1.00 4.22 H new ATOM 0 HB3 LYS A 103 -7.411 27.562 -9.457 1.00 4.22 H new ATOM 0 HG2 LYS A 103 -6.144 29.375 -8.762 1.00 22.44 H new ATOM 0 HG3 LYS A 103 -7.037 30.080 -10.095 1.00 22.44 H new ATOM 0 HD2 LYS A 103 -8.744 30.928 -8.453 1.00 61.15 H new ATOM 0 HD3 LYS A 103 -7.762 30.295 -7.146 1.00 61.15 H new ATOM 0 HE2 LYS A 103 -7.323 32.692 -7.468 1.00 62.32 H new ATOM 0 HE3 LYS A 103 -5.883 31.753 -7.810 1.00 62.32 H new ATOM 0 HZ1 LYS A 103 -6.519 33.572 -9.442 1.00 12.24 H new ATOM 0 HZ2 LYS A 103 -6.128 32.056 -10.098 1.00 12.24 H new ATOM 0 HZ3 LYS A 103 -7.753 32.533 -9.973 1.00 12.24 H new ATOM 1647 N ILE A 104 -10.057 26.301 -10.430 1.00 52.11 N ATOM 1648 CA ILE A 104 -10.264 25.035 -11.121 1.00 32.53 C ATOM 1649 C ILE A 104 -11.371 25.151 -12.165 1.00 54.52 C ATOM 1650 O ILE A 104 -11.439 24.357 -13.102 1.00 34.11 O ATOM 1651 CB ILE A 104 -10.620 23.906 -10.136 1.00 74.03 C ATOM 1652 CG1 ILE A 104 -9.469 23.673 -9.155 1.00 14.13 C ATOM 1653 CG2 ILE A 104 -10.947 22.627 -10.891 1.00 70.25 C ATOM 1654 CD1 ILE A 104 -9.807 22.703 -8.046 1.00 71.42 C ATOM 0 H ILE A 104 -10.514 26.365 -9.520 1.00 52.11 H new ATOM 0 HA ILE A 104 -9.324 24.791 -11.617 1.00 32.53 H new ATOM 0 HB ILE A 104 -11.501 24.204 -9.568 1.00 74.03 H new ATOM 0 HG12 ILE A 104 -8.605 23.298 -9.704 1.00 14.13 H new ATOM 0 HG13 ILE A 104 -9.178 24.627 -8.716 1.00 14.13 H new ATOM 0 HG21 ILE A 104 -11.196 21.839 -10.181 1.00 70.25 H new ATOM 0 HG22 ILE A 104 -11.796 22.802 -11.552 1.00 70.25 H new ATOM 0 HG23 ILE A 104 -10.083 22.323 -11.482 1.00 70.25 H new ATOM 0 HD11 ILE A 104 -8.945 22.586 -7.389 1.00 71.42 H new ATOM 0 HD12 ILE A 104 -10.651 23.086 -7.472 1.00 71.42 H new ATOM 0 HD13 ILE A 104 -10.069 21.736 -8.476 1.00 71.42 H new ATOM 1666 N GLU A 105 -12.233 26.148 -11.995 1.00 61.45 N ATOM 1667 CA GLU A 105 -13.336 26.369 -12.922 1.00 50.30 C ATOM 1668 C GLU A 105 -12.856 27.096 -14.175 1.00 50.12 C ATOM 1669 O GLU A 105 -13.316 26.815 -15.281 1.00 1.14 O ATOM 1670 CB GLU A 105 -14.446 27.176 -12.246 1.00 25.53 C ATOM 1671 CG GLU A 105 -15.678 26.352 -11.910 1.00 44.51 C ATOM 1672 CD GLU A 105 -16.613 26.190 -13.093 1.00 43.40 C ATOM 1673 OE1 GLU A 105 -17.206 27.202 -13.523 1.00 72.51 O ATOM 1674 OE2 GLU A 105 -16.752 25.053 -13.588 1.00 22.22 O ATOM 0 H GLU A 105 -12.189 26.815 -11.225 1.00 61.45 H new ATOM 0 HA GLU A 105 -13.731 25.396 -13.215 1.00 50.30 H new ATOM 0 HB2 GLU A 105 -14.055 27.620 -11.330 1.00 25.53 H new ATOM 0 HB3 GLU A 105 -14.736 27.998 -12.900 1.00 25.53 H new ATOM 0 HG2 GLU A 105 -15.367 25.368 -11.560 1.00 44.51 H new ATOM 0 HG3 GLU A 105 -16.216 26.827 -11.089 1.00 44.51 H new ATOM 1681 N GLU A 106 -11.928 28.031 -13.991 1.00 64.21 N ATOM 1682 CA GLU A 106 -11.388 28.798 -15.107 1.00 54.31 C ATOM 1683 C GLU A 106 -10.382 27.969 -15.901 1.00 63.23 C ATOM 1684 O GLU A 106 -10.328 28.049 -17.128 1.00 54.05 O ATOM 1685 CB GLU A 106 -10.720 30.078 -14.598 1.00 25.13 C ATOM 1686 CG GLU A 106 -11.623 31.299 -14.657 1.00 31.15 C ATOM 1687 CD GLU A 106 -11.569 31.999 -16.002 1.00 54.12 C ATOM 1688 OE1 GLU A 106 -11.469 31.301 -17.031 1.00 24.05 O ATOM 1689 OE2 GLU A 106 -11.625 33.247 -16.022 1.00 21.15 O ATOM 0 H GLU A 106 -11.536 28.275 -13.082 1.00 64.21 H new ATOM 0 HA GLU A 106 -12.215 29.064 -15.766 1.00 54.31 H new ATOM 0 HB2 GLU A 106 -10.397 29.925 -13.568 1.00 25.13 H new ATOM 0 HB3 GLU A 106 -9.824 30.270 -15.188 1.00 25.13 H new ATOM 0 HG2 GLU A 106 -12.650 30.998 -14.449 1.00 31.15 H new ATOM 0 HG3 GLU A 106 -11.332 32.000 -13.875 1.00 31.15 H new ATOM 1696 N GLU A 107 -9.588 27.174 -15.190 1.00 0.03 N ATOM 1697 CA GLU A 107 -8.583 26.331 -15.829 1.00 40.11 C ATOM 1698 C GLU A 107 -9.242 25.221 -16.643 1.00 72.21 C ATOM 1699 O GLU A 107 -8.804 24.906 -17.750 1.00 43.13 O ATOM 1700 CB GLU A 107 -7.652 25.724 -14.777 1.00 21.25 C ATOM 1701 CG GLU A 107 -6.307 26.423 -14.680 1.00 40.22 C ATOM 1702 CD GLU A 107 -6.435 27.934 -14.668 1.00 73.40 C ATOM 1703 OE1 GLU A 107 -6.858 28.486 -13.631 1.00 14.30 O ATOM 1704 OE2 GLU A 107 -6.110 28.564 -15.696 1.00 10.23 O ATOM 0 H GLU A 107 -9.621 27.096 -14.174 1.00 0.03 H new ATOM 0 HA GLU A 107 -7.998 26.955 -16.505 1.00 40.11 H new ATOM 0 HB2 GLU A 107 -8.143 25.762 -13.804 1.00 21.25 H new ATOM 0 HB3 GLU A 107 -7.489 24.672 -15.011 1.00 21.25 H new ATOM 0 HG2 GLU A 107 -5.797 26.098 -13.773 1.00 40.22 H new ATOM 0 HG3 GLU A 107 -5.683 26.121 -15.522 1.00 40.22 H new ATOM 1711 N GLN A 108 -10.296 24.632 -16.087 1.00 52.54 N ATOM 1712 CA GLN A 108 -11.014 23.557 -16.760 1.00 64.43 C ATOM 1713 C GLN A 108 -12.021 24.117 -17.760 1.00 73.34 C ATOM 1714 O GLN A 108 -12.630 23.371 -18.525 1.00 43.35 O ATOM 1715 CB GLN A 108 -11.731 22.675 -15.736 1.00 1.43 C ATOM 1716 CG GLN A 108 -11.700 21.195 -16.081 1.00 62.25 C ATOM 1717 CD GLN A 108 -10.301 20.612 -16.028 1.00 41.44 C ATOM 1718 OE1 GLN A 108 -9.600 20.559 -17.037 1.00 35.44 O ATOM 1719 NE2 GLN A 108 -9.888 20.172 -14.845 1.00 30.02 N ATOM 0 H GLN A 108 -10.671 24.882 -15.172 1.00 52.54 H new ATOM 0 HA GLN A 108 -10.287 22.953 -17.304 1.00 64.43 H new ATOM 0 HB2 GLN A 108 -11.272 22.821 -14.758 1.00 1.43 H new ATOM 0 HB3 GLN A 108 -12.769 22.999 -15.653 1.00 1.43 H new ATOM 0 HG2 GLN A 108 -12.343 20.651 -15.389 1.00 62.25 H new ATOM 0 HG3 GLN A 108 -12.112 21.050 -17.080 1.00 62.25 H new ATOM 0 HE21 GLN A 108 -10.503 20.236 -14.034 1.00 30.02 H new ATOM 0 HE22 GLN A 108 -8.955 19.770 -14.747 1.00 30.02 H new ATOM 1728 N ASN A 109 -12.189 25.436 -17.746 1.00 31.31 N ATOM 1729 CA ASN A 109 -13.122 26.096 -18.652 1.00 65.12 C ATOM 1730 C ASN A 109 -12.874 25.669 -20.095 1.00 35.13 C ATOM 1731 O ASN A 109 -13.793 25.246 -20.797 1.00 12.30 O ATOM 1732 CB ASN A 109 -12.998 27.615 -18.528 1.00 33.04 C ATOM 1733 CG ASN A 109 -13.941 28.351 -19.459 1.00 21.43 C ATOM 1734 OD1 ASN A 109 -13.511 29.146 -20.296 1.00 33.34 O ATOM 1735 ND2 ASN A 109 -15.235 28.089 -19.319 1.00 45.40 N ATOM 0 H ASN A 109 -11.692 26.068 -17.118 1.00 31.31 H new ATOM 0 HA ASN A 109 -14.133 25.798 -18.373 1.00 65.12 H new ATOM 0 HB2 ASN A 109 -13.204 27.911 -17.499 1.00 33.04 H new ATOM 0 HB3 ASN A 109 -11.972 27.912 -18.746 1.00 33.04 H new ATOM 0 HD21 ASN A 109 -15.917 28.554 -19.918 1.00 45.40 H new ATOM 0 HD22 ASN A 109 -15.547 27.423 -18.612 1.00 45.40 H new ATOM 1742 N LYS A 110 -11.625 25.783 -20.533 1.00 15.35 N ATOM 1743 CA LYS A 110 -11.252 25.409 -21.892 1.00 61.33 C ATOM 1744 C LYS A 110 -11.223 23.892 -22.050 1.00 21.11 C ATOM 1745 O LYS A 110 -11.790 23.347 -22.997 1.00 70.30 O ATOM 1746 CB LYS A 110 -9.884 25.995 -22.248 1.00 73.10 C ATOM 1747 CG LYS A 110 -9.417 25.642 -23.650 1.00 54.14 C ATOM 1748 CD LYS A 110 -9.470 26.846 -24.575 1.00 63.24 C ATOM 1749 CE LYS A 110 -10.066 26.484 -25.926 1.00 20.12 C ATOM 1750 NZ LYS A 110 -10.547 27.688 -26.660 1.00 30.23 N ATOM 0 H LYS A 110 -10.853 26.132 -19.965 1.00 15.35 H new ATOM 0 HA LYS A 110 -12.002 25.814 -22.572 1.00 61.33 H new ATOM 0 HB2 LYS A 110 -9.926 27.080 -22.151 1.00 73.10 H new ATOM 0 HB3 LYS A 110 -9.147 25.639 -21.528 1.00 73.10 H new ATOM 0 HG2 LYS A 110 -8.398 25.258 -23.609 1.00 54.14 H new ATOM 0 HG3 LYS A 110 -10.042 24.845 -24.053 1.00 54.14 H new ATOM 0 HD2 LYS A 110 -10.064 27.635 -24.114 1.00 63.24 H new ATOM 0 HD3 LYS A 110 -8.465 27.244 -24.714 1.00 63.24 H new ATOM 0 HE2 LYS A 110 -9.317 25.967 -26.527 1.00 20.12 H new ATOM 0 HE3 LYS A 110 -10.895 25.790 -25.783 1.00 20.12 H new ATOM 0 HZ1 LYS A 110 -10.946 27.400 -27.576 1.00 30.23 H new ATOM 0 HZ2 LYS A 110 -11.280 28.167 -26.098 1.00 30.23 H new ATOM 0 HZ3 LYS A 110 -9.751 28.339 -26.819 1.00 30.23 H new ATOM 1764 N SER A 111 -10.562 23.216 -21.116 1.00 11.32 N ATOM 1765 CA SER A 111 -10.459 21.762 -21.153 1.00 74.11 C ATOM 1766 C SER A 111 -11.821 21.127 -21.410 1.00 45.03 C ATOM 1767 O SER A 111 -11.932 20.139 -22.137 1.00 41.01 O ATOM 1768 CB SER A 111 -9.878 21.238 -19.838 1.00 63.21 C ATOM 1769 OG SER A 111 -10.360 19.936 -19.552 1.00 73.13 O ATOM 0 H SER A 111 -10.090 23.652 -20.324 1.00 11.32 H new ATOM 0 HA SER A 111 -9.792 21.490 -21.971 1.00 74.11 H new ATOM 0 HB2 SER A 111 -8.790 21.222 -19.898 1.00 63.21 H new ATOM 0 HB3 SER A 111 -10.142 21.914 -19.025 1.00 63.21 H new ATOM 0 HG SER A 111 -10.261 19.753 -18.594 1.00 73.13 H new ATOM 1775 N LYS A 112 -12.858 21.701 -20.808 1.00 2.34 N ATOM 1776 CA LYS A 112 -14.215 21.195 -20.971 1.00 24.43 C ATOM 1777 C LYS A 112 -14.701 21.389 -22.404 1.00 14.12 C ATOM 1778 O LYS A 112 -15.095 20.434 -23.073 1.00 43.23 O ATOM 1779 CB LYS A 112 -15.164 21.898 -19.999 1.00 24.11 C ATOM 1780 CG LYS A 112 -15.858 20.952 -19.034 1.00 54.50 C ATOM 1781 CD LYS A 112 -17.013 21.632 -18.319 1.00 12.23 C ATOM 1782 CE LYS A 112 -16.749 21.758 -16.826 1.00 15.24 C ATOM 1783 NZ LYS A 112 -17.270 20.585 -16.071 1.00 33.02 N ATOM 0 H LYS A 112 -12.783 22.518 -20.202 1.00 2.34 H new ATOM 0 HA LYS A 112 -14.206 20.127 -20.752 1.00 24.43 H new ATOM 0 HB2 LYS A 112 -14.603 22.638 -19.428 1.00 24.11 H new ATOM 0 HB3 LYS A 112 -15.919 22.440 -20.569 1.00 24.11 H new ATOM 0 HG2 LYS A 112 -16.227 20.083 -19.578 1.00 54.50 H new ATOM 0 HG3 LYS A 112 -15.139 20.587 -18.300 1.00 54.50 H new ATOM 0 HD2 LYS A 112 -17.174 22.622 -18.746 1.00 12.23 H new ATOM 0 HD3 LYS A 112 -17.928 21.062 -18.481 1.00 12.23 H new ATOM 0 HE2 LYS A 112 -15.677 21.854 -16.653 1.00 15.24 H new ATOM 0 HE3 LYS A 112 -17.216 22.669 -16.450 1.00 15.24 H new ATOM 0 HZ1 LYS A 112 -17.071 20.708 -15.058 1.00 33.02 H new ATOM 0 HZ2 LYS A 112 -18.297 20.508 -16.215 1.00 33.02 H new ATOM 0 HZ3 LYS A 112 -16.806 19.719 -16.412 1.00 33.02 H new ATOM 1797 N LYS A 113 -14.668 22.633 -22.871 1.00 55.11 N ATOM 1798 CA LYS A 113 -15.101 22.954 -24.225 1.00 14.51 C ATOM 1799 C LYS A 113 -14.322 22.141 -25.253 1.00 24.53 C ATOM 1800 O LYS A 113 -14.854 21.772 -26.301 1.00 51.21 O ATOM 1801 CB LYS A 113 -14.919 24.449 -24.500 1.00 4.41 C ATOM 1802 CG LYS A 113 -16.230 25.205 -24.640 1.00 11.12 C ATOM 1803 CD LYS A 113 -16.577 25.961 -23.369 1.00 53.41 C ATOM 1804 CE LYS A 113 -15.948 27.347 -23.356 1.00 61.03 C ATOM 1805 NZ LYS A 113 -16.913 28.397 -23.786 1.00 71.03 N ATOM 0 H LYS A 113 -14.345 23.436 -22.331 1.00 55.11 H new ATOM 0 HA LYS A 113 -16.157 22.700 -24.311 1.00 14.51 H new ATOM 0 HB2 LYS A 113 -14.339 24.891 -23.690 1.00 4.41 H new ATOM 0 HB3 LYS A 113 -14.338 24.574 -25.414 1.00 4.41 H new ATOM 0 HG2 LYS A 113 -16.160 25.905 -25.473 1.00 11.12 H new ATOM 0 HG3 LYS A 113 -17.031 24.505 -24.878 1.00 11.12 H new ATOM 0 HD2 LYS A 113 -17.660 26.051 -23.282 1.00 53.41 H new ATOM 0 HD3 LYS A 113 -16.233 25.396 -22.503 1.00 53.41 H new ATOM 0 HE2 LYS A 113 -15.588 27.573 -22.352 1.00 61.03 H new ATOM 0 HE3 LYS A 113 -15.080 27.359 -24.016 1.00 61.03 H new ATOM 0 HZ1 LYS A 113 -16.447 29.327 -23.764 1.00 71.03 H new ATOM 0 HZ2 LYS A 113 -17.237 28.195 -24.753 1.00 71.03 H new ATOM 0 HZ3 LYS A 113 -17.729 28.403 -23.141 1.00 71.03 H new ATOM 1819 N LYS A 114 -13.060 21.860 -24.946 1.00 2.14 N ATOM 1820 CA LYS A 114 -12.209 21.086 -25.842 1.00 12.44 C ATOM 1821 C LYS A 114 -12.353 19.591 -25.574 1.00 12.53 C ATOM 1822 O LYS A 114 -11.854 18.764 -26.337 1.00 61.04 O ATOM 1823 CB LYS A 114 -10.746 21.506 -25.678 1.00 70.14 C ATOM 1824 CG LYS A 114 -10.219 22.339 -26.833 1.00 72.21 C ATOM 1825 CD LYS A 114 -10.050 21.503 -28.091 1.00 14.51 C ATOM 1826 CE LYS A 114 -9.005 22.102 -29.021 1.00 0.11 C ATOM 1827 NZ LYS A 114 -8.990 21.426 -30.347 1.00 24.34 N ATOM 0 H LYS A 114 -12.604 22.157 -24.083 1.00 2.14 H new ATOM 0 HA LYS A 114 -12.526 21.285 -26.866 1.00 12.44 H new ATOM 0 HB2 LYS A 114 -10.641 22.074 -24.754 1.00 70.14 H new ATOM 0 HB3 LYS A 114 -10.130 20.613 -25.574 1.00 70.14 H new ATOM 0 HG2 LYS A 114 -10.905 23.163 -27.032 1.00 72.21 H new ATOM 0 HG3 LYS A 114 -9.262 22.781 -26.557 1.00 72.21 H new ATOM 0 HD2 LYS A 114 -9.758 20.489 -27.819 1.00 14.51 H new ATOM 0 HD3 LYS A 114 -11.004 21.431 -28.612 1.00 14.51 H new ATOM 0 HE2 LYS A 114 -9.207 23.164 -29.157 1.00 0.11 H new ATOM 0 HE3 LYS A 114 -8.020 22.021 -28.561 1.00 0.11 H new ATOM 0 HZ1 LYS A 114 -8.265 21.863 -30.951 1.00 24.34 H new ATOM 0 HZ2 LYS A 114 -8.773 20.417 -30.220 1.00 24.34 H new ATOM 0 HZ3 LYS A 114 -9.922 21.525 -30.798 1.00 24.34 H new ATOM 1841 N ALA A 115 -13.038 19.254 -24.487 1.00 21.24 N ATOM 1842 CA ALA A 115 -13.250 17.859 -24.121 1.00 25.31 C ATOM 1843 C ALA A 115 -14.431 17.265 -24.883 1.00 44.14 C ATOM 1844 O ALA A 115 -14.382 16.117 -25.324 1.00 5.32 O ATOM 1845 CB ALA A 115 -13.471 17.735 -22.621 1.00 22.21 C ATOM 0 H ALA A 115 -13.456 19.927 -23.845 1.00 21.24 H new ATOM 0 HA ALA A 115 -12.356 17.297 -24.393 1.00 25.31 H new ATOM 0 HB1 ALA A 115 -13.628 16.688 -22.362 1.00 22.21 H new ATOM 0 HB2 ALA A 115 -12.596 18.113 -22.092 1.00 22.21 H new ATOM 0 HB3 ALA A 115 -14.348 18.315 -22.333 1.00 22.21 H new ATOM 1851 N GLN A 116 -15.490 18.054 -25.031 1.00 3.04 N ATOM 1852 CA GLN A 116 -16.684 17.605 -25.738 1.00 24.22 C ATOM 1853 C GLN A 116 -17.160 18.661 -26.729 1.00 14.24 C ATOM 1854 O GLN A 116 -18.354 18.946 -26.820 1.00 14.52 O ATOM 1855 CB GLN A 116 -17.801 17.282 -24.743 1.00 32.55 C ATOM 1856 CG GLN A 116 -17.577 15.989 -23.975 1.00 0.42 C ATOM 1857 CD GLN A 116 -16.529 16.129 -22.889 1.00 55.50 C ATOM 1858 OE1 GLN A 116 -16.489 17.131 -22.174 1.00 1.35 O ATOM 1859 NE2 GLN A 116 -15.673 15.123 -22.758 1.00 31.10 N ATOM 0 H GLN A 116 -15.546 19.007 -24.671 1.00 3.04 H new ATOM 0 HA GLN A 116 -16.428 16.702 -26.292 1.00 24.22 H new ATOM 0 HB2 GLN A 116 -17.894 18.105 -24.034 1.00 32.55 H new ATOM 0 HB3 GLN A 116 -18.747 17.216 -25.280 1.00 32.55 H new ATOM 0 HG2 GLN A 116 -18.518 15.669 -23.527 1.00 0.42 H new ATOM 0 HG3 GLN A 116 -17.272 15.206 -24.670 1.00 0.42 H new ATOM 0 HE21 GLN A 116 -15.742 14.311 -23.372 1.00 31.10 H new ATOM 0 HE22 GLN A 116 -14.946 15.162 -22.043 1.00 31.10 H new ATOM 1868 N GLN A 117 -16.219 19.238 -27.469 1.00 72.41 N ATOM 1869 CA GLN A 117 -16.543 20.264 -28.453 1.00 54.15 C ATOM 1870 C GLN A 117 -17.393 19.688 -29.580 1.00 71.30 C ATOM 1871 O GLN A 117 -18.123 20.414 -30.254 1.00 12.33 O ATOM 1872 CB GLN A 117 -15.262 20.875 -29.025 1.00 73.53 C ATOM 1873 CG GLN A 117 -15.292 22.393 -29.098 1.00 4.02 C ATOM 1874 CD GLN A 117 -14.909 22.918 -30.468 1.00 2.21 C ATOM 1875 OE1 GLN A 117 -15.715 23.554 -31.148 1.00 3.10 O ATOM 1876 NE2 GLN A 117 -13.675 22.656 -30.880 1.00 40.23 N ATOM 0 H GLN A 117 -15.226 19.013 -27.406 1.00 72.41 H new ATOM 0 HA GLN A 117 -17.117 21.044 -27.952 1.00 54.15 H new ATOM 0 HB2 GLN A 117 -14.416 20.566 -28.411 1.00 73.53 H new ATOM 0 HB3 GLN A 117 -15.093 20.475 -30.025 1.00 73.53 H new ATOM 0 HG2 GLN A 117 -16.292 22.746 -28.844 1.00 4.02 H new ATOM 0 HG3 GLN A 117 -14.611 22.803 -28.352 1.00 4.02 H new ATOM 0 HE21 GLN A 117 -13.040 22.125 -30.284 1.00 40.23 H new ATOM 0 HE22 GLN A 117 -13.361 22.985 -31.793 1.00 40.23 H new ATOM 1885 N ALA A 118 -17.293 18.377 -29.780 1.00 2.31 N ATOM 1886 CA ALA A 118 -18.054 17.704 -30.824 1.00 4.35 C ATOM 1887 C ALA A 118 -19.482 17.422 -30.369 1.00 34.50 C ATOM 1888 O ALA A 118 -20.361 17.148 -31.184 1.00 20.42 O ATOM 1889 CB ALA A 118 -17.362 16.411 -31.231 1.00 21.43 C ATOM 0 H ALA A 118 -16.692 17.761 -29.232 1.00 2.31 H new ATOM 0 HA ALA A 118 -18.101 18.366 -31.689 1.00 4.35 H new ATOM 0 HB1 ALA A 118 -17.941 15.918 -32.012 1.00 21.43 H new ATOM 0 HB2 ALA A 118 -16.364 16.635 -31.607 1.00 21.43 H new ATOM 0 HB3 ALA A 118 -17.285 15.752 -30.366 1.00 21.43 H new ATOM 1895 N ALA A 119 -19.705 17.490 -29.060 1.00 51.21 N ATOM 1896 CA ALA A 119 -21.026 17.244 -28.496 1.00 62.41 C ATOM 1897 C ALA A 119 -21.454 18.385 -27.581 1.00 43.34 C ATOM 1898 O ALA A 119 -22.312 18.212 -26.716 1.00 2.35 O ATOM 1899 CB ALA A 119 -21.038 15.924 -27.738 1.00 33.21 C ATOM 0 H ALA A 119 -18.987 17.714 -28.371 1.00 51.21 H new ATOM 0 HA ALA A 119 -21.740 17.186 -29.318 1.00 62.41 H new ATOM 0 HB1 ALA A 119 -22.031 15.752 -27.322 1.00 33.21 H new ATOM 0 HB2 ALA A 119 -20.785 15.111 -28.419 1.00 33.21 H new ATOM 0 HB3 ALA A 119 -20.307 15.962 -26.930 1.00 33.21 H new ATOM 1905 N ALA A 120 -20.849 19.553 -27.776 1.00 60.31 N ATOM 1906 CA ALA A 120 -21.169 20.723 -26.969 1.00 42.11 C ATOM 1907 C ALA A 120 -20.697 22.004 -27.648 1.00 3.33 C ATOM 1908 O ALA A 120 -20.106 22.875 -27.009 1.00 34.31 O ATOM 1909 CB ALA A 120 -20.548 20.597 -25.586 1.00 23.40 C ATOM 0 H ALA A 120 -20.135 19.713 -28.486 1.00 60.31 H new ATOM 0 HA ALA A 120 -22.253 20.776 -26.865 1.00 42.11 H new ATOM 0 HB1 ALA A 120 -20.796 21.478 -24.994 1.00 23.40 H new ATOM 0 HB2 ALA A 120 -20.938 19.707 -25.092 1.00 23.40 H new ATOM 0 HB3 ALA A 120 -19.465 20.515 -25.679 1.00 23.40 H new ATOM 1915 N ASP A 121 -20.961 22.113 -28.945 1.00 31.34 N ATOM 1916 CA ASP A 121 -20.564 23.288 -29.712 1.00 53.05 C ATOM 1917 C ASP A 121 -21.441 23.453 -30.949 1.00 54.44 C ATOM 1918 O ASP A 121 -21.820 24.568 -31.310 1.00 32.32 O ATOM 1919 CB ASP A 121 -19.094 23.181 -30.123 1.00 2.31 C ATOM 1920 CG ASP A 121 -18.385 24.521 -30.091 1.00 72.34 C ATOM 1921 OD1 ASP A 121 -18.012 24.968 -28.986 1.00 41.33 O ATOM 1922 OD2 ASP A 121 -18.203 25.122 -31.170 1.00 72.40 O ATOM 0 H ASP A 121 -21.449 21.401 -29.488 1.00 31.34 H new ATOM 0 HA ASP A 121 -20.694 24.166 -29.079 1.00 53.05 H new ATOM 0 HB2 ASP A 121 -18.583 22.487 -29.456 1.00 2.31 H new ATOM 0 HB3 ASP A 121 -19.030 22.763 -31.128 1.00 2.31 H new ATOM 1927 N THR A 122 -21.760 22.336 -31.595 1.00 14.34 N ATOM 1928 CA THR A 122 -22.590 22.356 -32.793 1.00 0.21 C ATOM 1929 C THR A 122 -23.957 22.966 -32.503 1.00 10.32 C ATOM 1930 O THR A 122 -24.701 22.472 -31.658 1.00 41.21 O ATOM 1931 CB THR A 122 -22.782 20.940 -33.367 1.00 45.23 C ATOM 1932 OG1 THR A 122 -23.386 20.092 -32.384 1.00 22.21 O ATOM 1933 CG2 THR A 122 -21.453 20.349 -33.807 1.00 15.20 C ATOM 0 H THR A 122 -21.456 21.406 -31.308 1.00 14.34 H new ATOM 0 HA THR A 122 -22.070 22.970 -33.529 1.00 0.21 H new ATOM 0 HB THR A 122 -23.435 21.010 -34.237 1.00 45.23 H new ATOM 0 HG1 THR A 122 -23.996 20.620 -31.827 1.00 22.21 H new ATOM 0 HG21 THR A 122 -21.615 19.349 -34.209 1.00 15.20 H new ATOM 0 HG22 THR A 122 -21.010 20.982 -34.576 1.00 15.20 H new ATOM 0 HG23 THR A 122 -20.779 20.292 -32.952 1.00 15.20 H new ATOM 1941 N GLY A 123 -24.281 24.044 -33.213 1.00 63.41 N ATOM 1942 CA GLY A 123 -25.560 24.702 -33.017 1.00 15.43 C ATOM 1943 C GLY A 123 -25.434 25.986 -32.221 1.00 43.35 C ATOM 1944 O GLY A 123 -24.750 26.919 -32.639 1.00 13.10 O ATOM 0 H GLY A 123 -23.682 24.472 -33.919 1.00 63.41 H new ATOM 0 HA2 GLY A 123 -26.005 24.922 -33.988 1.00 15.43 H new ATOM 0 HA3 GLY A 123 -26.239 24.023 -32.501 1.00 15.43 H new ATOM 1948 N ASN A 124 -26.097 26.033 -31.070 1.00 4.34 N ATOM 1949 CA ASN A 124 -26.059 27.214 -30.214 1.00 51.15 C ATOM 1950 C ASN A 124 -25.735 26.830 -28.774 1.00 73.02 C ATOM 1951 O ASN A 124 -26.161 25.783 -28.288 1.00 12.34 O ATOM 1952 CB ASN A 124 -27.398 27.953 -30.267 1.00 23.40 C ATOM 1953 CG ASN A 124 -27.668 28.560 -31.630 1.00 4.42 C ATOM 1954 OD1 ASN A 124 -26.764 28.693 -32.454 1.00 30.14 O ATOM 1955 ND2 ASN A 124 -28.919 28.935 -31.873 1.00 43.13 N ATOM 0 H ASN A 124 -26.667 25.268 -30.709 1.00 4.34 H new ATOM 0 HA ASN A 124 -25.273 27.874 -30.582 1.00 51.15 H new ATOM 0 HB2 ASN A 124 -28.202 27.262 -30.014 1.00 23.40 H new ATOM 0 HB3 ASN A 124 -27.406 28.740 -29.513 1.00 23.40 H new ATOM 0 HD21 ASN A 124 -29.161 29.352 -32.772 1.00 43.13 H new ATOM 0 HD22 ASN A 124 -29.638 28.806 -31.161 1.00 43.13 H new ATOM 1962 N ASN A 125 -24.977 27.686 -28.095 1.00 10.40 N ATOM 1963 CA ASN A 125 -24.595 27.437 -26.710 1.00 54.35 C ATOM 1964 C ASN A 125 -25.055 28.577 -25.806 1.00 75.14 C ATOM 1965 O ASN A 125 -25.100 29.735 -26.223 1.00 63.41 O ATOM 1966 CB ASN A 125 -23.078 27.265 -26.601 1.00 31.10 C ATOM 1967 CG ASN A 125 -22.646 25.823 -26.789 1.00 12.02 C ATOM 1968 OD1 ASN A 125 -23.351 25.028 -27.410 1.00 64.30 O ATOM 1969 ND2 ASN A 125 -21.481 25.481 -26.253 1.00 33.40 N ATOM 0 H ASN A 125 -24.616 28.558 -28.482 1.00 10.40 H new ATOM 0 HA ASN A 125 -25.083 26.518 -26.384 1.00 54.35 H new ATOM 0 HB2 ASN A 125 -22.589 27.889 -27.350 1.00 31.10 H new ATOM 0 HB3 ASN A 125 -22.744 27.618 -25.625 1.00 31.10 H new ATOM 0 HD21 ASN A 125 -21.137 24.525 -26.348 1.00 33.40 H new ATOM 0 HD22 ASN A 125 -20.930 26.174 -25.746 1.00 33.40 H new ATOM 1976 N SER A 126 -25.392 28.242 -24.565 1.00 63.24 N ATOM 1977 CA SER A 126 -25.851 29.236 -23.602 1.00 70.21 C ATOM 1978 C SER A 126 -25.055 29.143 -22.303 1.00 24.45 C ATOM 1979 O SER A 126 -24.752 28.049 -21.826 1.00 3.44 O ATOM 1980 CB SER A 126 -27.342 29.047 -23.314 1.00 62.23 C ATOM 1981 OG SER A 126 -27.727 29.745 -22.143 1.00 42.34 O ATOM 0 H SER A 126 -25.356 27.289 -24.202 1.00 63.24 H new ATOM 0 HA SER A 126 -25.694 30.224 -24.034 1.00 70.21 H new ATOM 0 HB2 SER A 126 -27.927 29.402 -24.162 1.00 62.23 H new ATOM 0 HB3 SER A 126 -27.562 27.986 -23.197 1.00 62.23 H new ATOM 0 HG SER A 126 -28.684 29.610 -21.981 1.00 42.34 H new ATOM 1987 N GLN A 127 -24.720 30.298 -21.739 1.00 71.04 N ATOM 1988 CA GLN A 127 -23.958 30.347 -20.496 1.00 11.23 C ATOM 1989 C GLN A 127 -24.738 31.080 -19.409 1.00 74.53 C ATOM 1990 O GLN A 127 -24.674 32.304 -19.302 1.00 74.21 O ATOM 1991 CB GLN A 127 -22.612 31.036 -20.726 1.00 21.35 C ATOM 1992 CG GLN A 127 -21.478 30.068 -21.026 1.00 41.31 C ATOM 1993 CD GLN A 127 -20.115 30.651 -20.709 1.00 51.22 C ATOM 1994 OE1 GLN A 127 -19.985 31.526 -19.853 1.00 74.14 O ATOM 1995 NE2 GLN A 127 -19.088 30.167 -21.399 1.00 44.11 N ATOM 0 H GLN A 127 -24.963 31.212 -22.122 1.00 71.04 H new ATOM 0 HA GLN A 127 -23.783 29.323 -20.165 1.00 11.23 H new ATOM 0 HB2 GLN A 127 -22.709 31.738 -21.555 1.00 21.35 H new ATOM 0 HB3 GLN A 127 -22.356 31.620 -19.842 1.00 21.35 H new ATOM 0 HG2 GLN A 127 -21.622 29.155 -20.448 1.00 41.31 H new ATOM 0 HG3 GLN A 127 -21.513 29.788 -22.079 1.00 41.31 H new ATOM 0 HE21 GLN A 127 -19.241 29.442 -22.100 1.00 44.11 H new ATOM 0 HE22 GLN A 127 -18.147 30.521 -21.228 1.00 44.11 H new ATOM 2004 N VAL A 128 -25.474 30.320 -18.603 1.00 11.51 N ATOM 2005 CA VAL A 128 -26.266 30.897 -17.522 1.00 32.23 C ATOM 2006 C VAL A 128 -25.747 30.449 -16.161 1.00 34.44 C ATOM 2007 O VAL A 128 -25.021 29.460 -16.056 1.00 21.35 O ATOM 2008 CB VAL A 128 -27.751 30.508 -17.646 1.00 2.33 C ATOM 2009 CG1 VAL A 128 -28.314 30.966 -18.983 1.00 12.13 C ATOM 2010 CG2 VAL A 128 -27.924 29.007 -17.471 1.00 24.44 C ATOM 0 H VAL A 128 -25.538 29.305 -18.678 1.00 11.51 H new ATOM 0 HA VAL A 128 -26.173 31.980 -17.604 1.00 32.23 H new ATOM 0 HB VAL A 128 -28.308 31.010 -16.854 1.00 2.33 H new ATOM 0 HG11 VAL A 128 -29.364 30.682 -19.052 1.00 12.13 H new ATOM 0 HG12 VAL A 128 -28.225 32.049 -19.063 1.00 12.13 H new ATOM 0 HG13 VAL A 128 -27.757 30.495 -19.793 1.00 12.13 H new ATOM 0 HG21 VAL A 128 -28.979 28.749 -17.562 1.00 24.44 H new ATOM 0 HG22 VAL A 128 -27.355 28.483 -18.239 1.00 24.44 H new ATOM 0 HG23 VAL A 128 -27.562 28.711 -16.486 1.00 24.44 H new ATOM 2020 N SER A 129 -26.123 31.183 -15.119 1.00 52.30 N ATOM 2021 CA SER A 129 -25.692 30.864 -13.763 1.00 33.12 C ATOM 2022 C SER A 129 -26.866 30.932 -12.791 1.00 55.13 C ATOM 2023 O SER A 129 -27.262 29.923 -12.211 1.00 64.24 O ATOM 2024 CB SER A 129 -24.588 31.824 -13.316 1.00 2.44 C ATOM 2025 OG SER A 129 -23.875 31.302 -12.209 1.00 45.42 O ATOM 0 H SER A 129 -26.726 32.003 -15.188 1.00 52.30 H new ATOM 0 HA SER A 129 -25.300 29.847 -13.762 1.00 33.12 H new ATOM 0 HB2 SER A 129 -23.901 32.003 -14.143 1.00 2.44 H new ATOM 0 HB3 SER A 129 -25.025 32.787 -13.050 1.00 2.44 H new ATOM 0 HG SER A 129 -23.174 31.934 -11.944 1.00 45.42 H new ATOM 2031 N GLN A 130 -27.414 32.131 -12.618 1.00 30.53 N ATOM 2032 CA GLN A 130 -28.541 32.331 -11.715 1.00 4.22 C ATOM 2033 C GLN A 130 -28.137 32.057 -10.271 1.00 51.11 C ATOM 2034 O GLN A 130 -28.319 30.951 -9.764 1.00 25.14 O ATOM 2035 CB GLN A 130 -29.707 31.424 -12.112 1.00 25.23 C ATOM 2036 CG GLN A 130 -31.036 31.840 -11.502 1.00 22.32 C ATOM 2037 CD GLN A 130 -31.812 32.793 -12.389 1.00 10.01 C ATOM 2038 OE1 GLN A 130 -31.260 33.762 -12.911 1.00 35.54 O ATOM 2039 NE2 GLN A 130 -33.101 32.525 -12.563 1.00 33.51 N ATOM 0 H GLN A 130 -27.096 32.977 -13.091 1.00 30.53 H new ATOM 0 HA GLN A 130 -28.856 33.371 -11.793 1.00 4.22 H new ATOM 0 HB2 GLN A 130 -29.800 31.420 -13.198 1.00 25.23 H new ATOM 0 HB3 GLN A 130 -29.481 30.402 -11.808 1.00 25.23 H new ATOM 0 HG2 GLN A 130 -31.639 30.952 -11.314 1.00 22.32 H new ATOM 0 HG3 GLN A 130 -30.856 32.313 -10.537 1.00 22.32 H new ATOM 0 HE21 GLN A 130 -33.518 31.711 -12.112 1.00 33.51 H new ATOM 0 HE22 GLN A 130 -33.674 33.133 -13.148 1.00 33.51 H new ATOM 2048 N ASN A 131 -27.587 33.072 -9.613 1.00 63.22 N ATOM 2049 CA ASN A 131 -27.156 32.940 -8.225 1.00 33.14 C ATOM 2050 C ASN A 131 -27.532 34.179 -7.418 1.00 0.13 C ATOM 2051 O ASN A 131 -27.554 35.292 -7.945 1.00 45.32 O ATOM 2052 CB ASN A 131 -25.644 32.713 -8.159 1.00 44.51 C ATOM 2053 CG ASN A 131 -25.221 32.009 -6.885 1.00 55.33 C ATOM 2054 OD1 ASN A 131 -25.199 32.609 -5.809 1.00 34.34 O ATOM 2055 ND2 ASN A 131 -24.881 30.731 -7.000 1.00 0.11 N ATOM 0 H ASN A 131 -27.429 33.995 -10.018 1.00 63.22 H new ATOM 0 HA ASN A 131 -27.665 32.079 -7.792 1.00 33.14 H new ATOM 0 HB2 ASN A 131 -25.330 32.122 -9.019 1.00 44.51 H new ATOM 0 HB3 ASN A 131 -25.132 33.673 -8.228 1.00 44.51 H new ATOM 0 HD21 ASN A 131 -24.587 30.206 -6.177 1.00 0.11 H new ATOM 0 HD22 ASN A 131 -24.914 30.274 -7.912 1.00 0.11 H new ATOM 2062 N TYR A 132 -27.826 33.977 -6.139 1.00 2.53 N ATOM 2063 CA TYR A 132 -28.204 35.077 -5.259 1.00 11.44 C ATOM 2064 C TYR A 132 -27.106 35.359 -4.239 1.00 14.33 C ATOM 2065 O TYR A 132 -26.943 36.509 -3.830 1.00 34.21 O ATOM 2066 CB TYR A 132 -29.515 34.756 -4.539 1.00 35.32 C ATOM 2067 CG TYR A 132 -30.728 34.809 -5.438 1.00 42.41 C ATOM 2068 CD1 TYR A 132 -30.940 33.839 -6.412 1.00 51.42 C ATOM 2069 CD2 TYR A 132 -31.664 35.828 -5.315 1.00 13.45 C ATOM 2070 CE1 TYR A 132 -32.047 33.885 -7.236 1.00 41.22 C ATOM 2071 CE2 TYR A 132 -32.776 35.881 -6.135 1.00 15.40 C ATOM 2072 CZ TYR A 132 -32.963 34.907 -7.094 1.00 72.44 C ATOM 2073 OH TYR A 132 -34.067 34.956 -7.912 1.00 45.52 O ATOM 0 H TYR A 132 -27.810 33.062 -5.688 1.00 2.53 H new ATOM 0 HA TYR A 132 -28.344 35.968 -5.872 1.00 11.44 H new ATOM 0 HB2 TYR A 132 -29.443 33.762 -4.098 1.00 35.32 H new ATOM 0 HB3 TYR A 132 -29.651 35.460 -3.718 1.00 35.32 H new ATOM 0 HD1 TYR A 132 -30.227 33.036 -6.526 1.00 51.42 H new ATOM 0 HD2 TYR A 132 -31.521 36.592 -4.566 1.00 13.45 H new ATOM 0 HE1 TYR A 132 -32.195 33.124 -7.988 1.00 41.22 H new ATOM 0 HE2 TYR A 132 -33.494 36.680 -6.025 1.00 15.40 H new ATOM 0 HH TYR A 132 -34.611 35.737 -7.680 1.00 45.52 H new TER 2083 TYR A 132 HETATM 2084 P1 PBU A 300 -17.107 18.492 9.877 1.00 73.53 P HETATM 2085 P4 PBU A 300 -19.298 26.197 6.749 1.00 20.42 P HETATM 2086 P5 PBU A 300 -20.468 21.369 3.914 1.00 63.34 P HETATM 2087 C3' PBU A 300 -17.571 16.568 8.332 1.00 61.14 C HETATM 2088 C2' PBU A 300 -16.253 16.606 7.520 1.00 4.45 C HETATM 2089 O2' PBU A 300 -16.487 16.010 6.254 1.00 54.42 O HETATM 2090 C1' PBU A 300 -15.112 15.842 8.233 1.00 14.32 C HETATM 2091 O1' PBU A 300 -15.629 14.659 8.804 1.00 44.15 O HETATM 2092 C1 PBU A 300 -18.015 20.699 8.172 1.00 63.33 C HETATM 2093 O1 PBU A 300 -18.144 19.344 8.883 1.00 43.40 O HETATM 2094 C2 PBU A 300 -18.027 21.954 9.111 1.00 34.04 C HETATM 2095 O2 PBU A 300 -19.180 22.017 9.944 1.00 53.03 O HETATM 2096 C3 PBU A 300 -17.934 23.254 8.280 1.00 33.41 C HETATM 2097 O3 PBU A 300 -17.955 24.360 9.193 1.00 40.14 O HETATM 2098 C4 PBU A 300 -19.099 23.342 7.220 1.00 72.30 C HETATM 2099 O4 PBU A 300 -18.939 24.607 6.396 1.00 54.31 O HETATM 2100 C5 PBU A 300 -19.041 22.060 6.297 1.00 4.34 C HETATM 2101 O5 PBU A 300 -20.160 22.114 5.352 1.00 60.22 O HETATM 2102 C6 PBU A 300 -19.125 20.742 7.104 1.00 74.40 C HETATM 2103 O6 PBU A 300 -18.955 19.582 6.275 1.00 43.33 O HETATM 2104 C7 PBU A 300 -16.652 16.877 5.146 1.00 13.20 C HETATM 2105 O7 PBU A 300 -17.643 16.807 4.453 1.00 43.24 O HETATM 2106 C8 PBU A 300 -15.571 17.926 4.829 1.00 74.13 C HETATM 2107 C9 PBU A 300 -15.625 18.313 3.339 1.00 71.43 C HETATM 2108 C10 PBU A 300 -14.782 19.581 3.109 1.00 25.25 C HETATM 2109 C11 PBU A 300 -15.638 14.444 10.198 1.00 2.45 C HETATM 2110 O11 PBU A 300 -14.746 14.782 10.953 1.00 24.11 O HETATM 2111 C12 PBU A 300 -16.870 13.671 10.745 1.00 33.44 C HETATM 2112 C13 PBU A 300 -16.587 12.183 11.016 1.00 12.23 C HETATM 2113 C14 PBU A 300 -16.121 11.962 12.466 1.00 31.34 C HETATM 2114 O41 PBU A 300 -19.891 26.604 5.403 1.00 30.24 O HETATM 2115 O42 PBU A 300 -20.289 26.144 7.880 1.00 20.12 O HETATM 2116 O43 PBU A 300 -18.034 26.934 7.158 1.00 52.14 O HETATM 2117 O51 PBU A 300 -21.526 22.295 3.349 1.00 63.04 O HETATM 2118 O52 PBU A 300 -19.112 21.351 3.230 1.00 54.13 O HETATM 2119 O53 PBU A 300 -20.989 20.013 4.332 1.00 74.23 O HETATM 2120 OP1 PBU A 300 -17.381 17.034 9.653 1.00 23.34 O HETATM 2121 OP2 PBU A 300 -15.725 18.941 9.398 1.00 34.01 O HETATM 2122 OP3 PBU A 300 -17.519 18.895 11.269 1.00 52.51 O HETATM 0 H3'2 PBU A 300 -18.324 17.180 7.834 1.00 61.14 H new HETATM 0 H3'1 PBU A 300 -17.955 15.548 8.357 1.00 61.14 H new HETATM 0 H143 PBU A 300 -15.207 12.528 12.645 1.00 31.34 H new HETATM 0 H142 PBU A 300 -16.897 12.299 13.153 1.00 31.34 H new HETATM 0 H141 PBU A 300 -15.929 10.902 12.629 1.00 31.34 H new HETATM 0 H132 PBU A 300 -17.487 11.598 10.827 1.00 12.23 H new HETATM 0 H131 PBU A 300 -15.823 11.824 10.327 1.00 12.23 H new HETATM 0 H122 PBU A 300 -17.205 14.143 11.668 1.00 33.44 H new HETATM 0 H121 PBU A 300 -17.688 13.753 10.029 1.00 33.44 H new HETATM 0 H1'2 PBU A 300 -14.321 15.601 7.523 1.00 14.32 H new HETATM 0 H1'1 PBU A 300 -14.667 16.468 9.006 1.00 14.32 H new HETATM 0 H92 PBU A 300 -15.247 17.495 2.726 1.00 71.43 H new HETATM 0 H91 PBU A 300 -16.657 18.489 3.035 1.00 71.43 H new HETATM 0 H82 PBU A 300 -15.720 18.811 5.448 1.00 74.13 H new HETATM 0 H81 PBU A 300 -14.586 17.529 5.073 1.00 74.13 H new HETATM 0 H6 PBU A 300 -20.117 20.724 7.555 1.00 74.40 H new HETATM 0 H5 PBU A 300 -18.082 22.064 5.780 1.00 4.34 H new HETATM 0 H4 PBU A 300 -20.067 23.379 7.720 1.00 72.30 H new HETATM 0 H3 PBU A 300 -17.007 23.270 7.707 1.00 33.41 H new HETATM 0 H2' PBU A 300 -15.944 17.646 7.417 1.00 4.45 H new HETATM 0 H2 PBU A 300 -17.156 21.855 9.759 1.00 34.04 H new HETATM 0 H13 PBU A 300 -15.181 20.397 3.711 1.00 25.25 H new HETATM 0 H12 PBU A 300 -13.749 19.388 3.397 1.00 25.25 H new HETATM 0 H11 PBU A 300 -14.819 19.856 2.055 1.00 25.25 H new HETATM 0 H1 PBU A 300 -17.024 20.765 7.722 1.00 63.33 H new HETATM 0 H06 PBU A 300 -19.811 19.112 6.190 1.00 43.33 H new HETATM 0 H03 PBU A 300 -17.585 25.154 8.754 1.00 40.14 H new HETATM 0 H02 PBU A 300 -19.331 22.944 10.225 1.00 53.03 H new