USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 GLN : amide:sc= 0.599 X(o=0.99,f=0.68) USER MOD Set 1.2: A 86 GLN : amide:sc= 0.394 X(o=0.99,f=0.68) USER MOD Set 1.3: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 80 GLN : amide:sc= 1.41 K(o=2.7,f=0.63) USER MOD Set 2.2: A 102 THR OG1 : rot 116:sc= 1.34 USER MOD Set 3.1: A 56 SER OG : rot 60:sc= 0.759 USER MOD Set 3.2: A 62 MET CE :methyl -161:sc= 0 (180deg=-0.472) USER MOD Set 4.1: A 30 THR OG1 : rot 175:sc= 1.64 USER MOD Set 4.2: A 63 TYR OH : rot -28:sc= 1.54 USER MOD Single : A 29 GLN : amide:sc= 1.04 K(o=1,f=-0.11) USER MOD Single : A 37 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 38 GLN : amide:sc= -0.042 K(o=-0.042,f=-1.2) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -34:sc= -0.0373 USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.19) USER MOD Single : A 69 SER OG : rot -139:sc= 1.3 USER MOD Single : A 73 LYS NZ :NH3+ -131:sc= 0.957 (180deg=-0.029) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 83 MET CE :methyl 173:sc= 0 (180deg=-0.0863) USER MOD Single : A 85 ASN : amide:sc= 0.00273 X(o=0.0027,f=-0.37) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 173:sc= -0.794 (180deg=-0.94) USER MOD Single : A 96 HIS : no HD1:sc= -0.662 X(o=-0.66,f=-0.68) USER MOD Single : A 103 SER OG : rot 142:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 29 14.884 2.889 4.393 1.00 0.78 N ATOM 28 CA GLN A 29 14.434 1.937 3.371 1.00 0.64 C ATOM 29 C GLN A 29 14.782 0.477 3.700 1.00 0.52 C ATOM 30 O GLN A 29 15.735 0.183 4.429 1.00 0.61 O ATOM 31 CB GLN A 29 14.988 2.348 2.001 1.00 0.77 C ATOM 32 CG GLN A 29 14.019 3.318 1.314 1.00 0.88 C ATOM 33 CD GLN A 29 14.039 4.751 1.842 1.00 1.59 C ATOM 34 OE1 GLN A 29 15.075 5.343 2.116 1.00 2.18 O ATOM 35 NE2 GLN A 29 12.895 5.372 1.994 1.00 2.20 N ATOM 0 HA GLN A 29 13.345 1.978 3.350 1.00 0.64 H new ATOM 0 HB2 GLN A 29 15.964 2.819 2.120 1.00 0.77 H new ATOM 0 HB3 GLN A 29 15.134 1.465 1.379 1.00 0.77 H new ATOM 0 HG2 GLN A 29 14.248 3.339 0.248 1.00 0.88 H new ATOM 0 HG3 GLN A 29 13.007 2.926 1.415 1.00 0.88 H new ATOM 0 HE21 GLN A 29 12.022 4.894 1.771 1.00 2.20 H new ATOM 0 HE22 GLN A 29 12.878 6.333 2.336 1.00 2.20 H new ATOM 44 N THR A 30 14.041 -0.433 3.072 1.00 0.51 N ATOM 45 CA THR A 30 14.384 -1.849 2.849 1.00 0.47 C ATOM 46 C THR A 30 14.241 -2.149 1.351 1.00 0.52 C ATOM 47 O THR A 30 13.602 -1.371 0.644 1.00 0.67 O ATOM 48 CB THR A 30 13.473 -2.801 3.633 1.00 0.43 C ATOM 49 OG1 THR A 30 12.144 -2.612 3.224 1.00 0.48 O ATOM 50 CG2 THR A 30 13.552 -2.597 5.139 1.00 0.52 C ATOM 0 H THR A 30 13.130 -0.195 2.679 1.00 0.51 H new ATOM 0 HA THR A 30 15.405 -2.009 3.197 1.00 0.47 H new ATOM 0 HB THR A 30 13.816 -3.814 3.420 1.00 0.43 H new ATOM 0 HG1 THR A 30 11.570 -3.274 3.662 1.00 0.48 H new ATOM 0 HG21 THR A 30 12.885 -3.300 5.637 1.00 0.52 H new ATOM 0 HG22 THR A 30 14.575 -2.767 5.476 1.00 0.52 H new ATOM 0 HG23 THR A 30 13.253 -1.578 5.384 1.00 0.52 H new ATOM 58 N GLU A 31 14.742 -3.282 0.845 1.00 0.57 N ATOM 59 CA GLU A 31 14.435 -3.727 -0.526 1.00 0.61 C ATOM 60 C GLU A 31 12.933 -4.009 -0.717 1.00 0.49 C ATOM 61 O GLU A 31 12.413 -3.849 -1.827 1.00 0.52 O ATOM 62 CB GLU A 31 15.266 -4.975 -0.869 1.00 0.77 C ATOM 63 CG GLU A 31 16.702 -4.605 -1.260 1.00 1.04 C ATOM 64 CD GLU A 31 17.559 -5.836 -1.580 1.00 1.88 C ATOM 65 OE1 GLU A 31 17.278 -6.566 -2.562 1.00 3.27 O ATOM 66 OE2 GLU A 31 18.571 -6.066 -0.872 1.00 2.59 O ATOM 0 H GLU A 31 15.361 -3.908 1.360 1.00 0.57 H new ATOM 0 HA GLU A 31 14.700 -2.918 -1.207 1.00 0.61 H new ATOM 0 HB2 GLU A 31 15.283 -5.648 -0.012 1.00 0.77 H new ATOM 0 HB3 GLU A 31 14.792 -5.515 -1.689 1.00 0.77 H new ATOM 0 HG2 GLU A 31 16.680 -3.946 -2.128 1.00 1.04 H new ATOM 0 HG3 GLU A 31 17.164 -4.046 -0.446 1.00 1.04 H new ATOM 73 N GLY A 32 12.236 -4.361 0.372 1.00 0.41 N ATOM 74 CA GLY A 32 10.790 -4.520 0.449 1.00 0.32 C ATOM 75 C GLY A 32 10.031 -3.209 0.238 1.00 0.26 C ATOM 76 O GLY A 32 9.085 -3.194 -0.540 1.00 0.26 O ATOM 0 H GLY A 32 12.694 -4.550 1.263 1.00 0.41 H new ATOM 0 HA2 GLY A 32 10.469 -5.243 -0.301 1.00 0.32 H new ATOM 0 HA3 GLY A 32 10.527 -4.933 1.423 1.00 0.32 H new ATOM 80 N GLU A 33 10.467 -2.095 0.839 1.00 0.24 N ATOM 81 CA GLU A 33 9.920 -0.755 0.615 1.00 0.22 C ATOM 82 C GLU A 33 9.845 -0.422 -0.884 1.00 0.22 C ATOM 83 O GLU A 33 8.795 -0.018 -1.392 1.00 0.23 O ATOM 84 CB GLU A 33 10.811 0.243 1.393 1.00 0.23 C ATOM 85 CG GLU A 33 10.078 1.444 1.984 1.00 0.28 C ATOM 86 CD GLU A 33 10.125 2.723 1.125 1.00 0.31 C ATOM 87 OE1 GLU A 33 9.748 2.707 -0.066 1.00 2.03 O ATOM 88 OE2 GLU A 33 10.571 3.772 1.657 1.00 1.85 O ATOM 0 H GLU A 33 11.232 -2.103 1.514 1.00 0.24 H new ATOM 0 HA GLU A 33 8.894 -0.694 0.979 1.00 0.22 H new ATOM 0 HB2 GLU A 33 11.309 -0.293 2.201 1.00 0.23 H new ATOM 0 HB3 GLU A 33 11.591 0.607 0.724 1.00 0.23 H new ATOM 0 HG2 GLU A 33 9.035 1.171 2.145 1.00 0.28 H new ATOM 0 HG3 GLU A 33 10.504 1.666 2.962 1.00 0.28 H new ATOM 95 N LEU A 34 10.925 -0.717 -1.615 1.00 0.26 N ATOM 96 CA LEU A 34 11.041 -0.510 -3.057 1.00 0.31 C ATOM 97 C LEU A 34 10.141 -1.475 -3.830 1.00 0.32 C ATOM 98 O LEU A 34 9.325 -1.035 -4.629 1.00 0.34 O ATOM 99 CB LEU A 34 12.498 -0.699 -3.511 1.00 0.36 C ATOM 100 CG LEU A 34 13.585 -0.179 -2.567 1.00 0.38 C ATOM 101 CD1 LEU A 34 14.972 -0.417 -3.158 1.00 0.45 C ATOM 102 CD2 LEU A 34 13.428 1.306 -2.240 1.00 0.38 C ATOM 0 H LEU A 34 11.767 -1.119 -1.204 1.00 0.26 H new ATOM 0 HA LEU A 34 10.722 0.511 -3.269 1.00 0.31 H new ATOM 0 HB2 LEU A 34 12.669 -1.763 -3.673 1.00 0.36 H new ATOM 0 HB3 LEU A 34 12.621 -0.206 -4.475 1.00 0.36 H new ATOM 0 HG LEU A 34 13.472 -0.738 -1.638 1.00 0.38 H new ATOM 0 HD11 LEU A 34 15.730 -0.040 -2.471 1.00 0.45 H new ATOM 0 HD12 LEU A 34 15.123 -1.485 -3.314 1.00 0.45 H new ATOM 0 HD13 LEU A 34 15.055 0.104 -4.112 1.00 0.45 H new ATOM 0 HD21 LEU A 34 14.227 1.617 -1.567 1.00 0.38 H new ATOM 0 HD22 LEU A 34 13.481 1.889 -3.160 1.00 0.38 H new ATOM 0 HD23 LEU A 34 12.464 1.473 -1.760 1.00 0.38 H new ATOM 114 N ARG A 35 10.237 -2.784 -3.559 1.00 0.33 N ATOM 115 CA ARG A 35 9.435 -3.840 -4.203 1.00 0.36 C ATOM 116 C ARG A 35 7.946 -3.531 -4.089 1.00 0.30 C ATOM 117 O ARG A 35 7.221 -3.576 -5.080 1.00 0.33 O ATOM 118 CB ARG A 35 9.779 -5.180 -3.539 1.00 0.43 C ATOM 119 CG ARG A 35 8.881 -6.330 -4.026 1.00 0.49 C ATOM 120 CD ARG A 35 9.641 -7.411 -4.794 1.00 0.73 C ATOM 121 NE ARG A 35 10.485 -8.241 -3.916 1.00 1.25 N ATOM 122 CZ ARG A 35 11.800 -8.354 -3.896 1.00 2.10 C ATOM 123 NH1 ARG A 35 12.620 -7.626 -4.602 1.00 2.76 N ATOM 124 NH2 ARG A 35 12.310 -9.256 -3.117 1.00 2.90 N ATOM 0 H ARG A 35 10.891 -3.150 -2.868 1.00 0.33 H new ATOM 0 HA ARG A 35 9.669 -3.892 -5.266 1.00 0.36 H new ATOM 0 HB2 ARG A 35 10.821 -5.426 -3.744 1.00 0.43 H new ATOM 0 HB3 ARG A 35 9.682 -5.081 -2.458 1.00 0.43 H new ATOM 0 HG2 ARG A 35 8.387 -6.784 -3.167 1.00 0.49 H new ATOM 0 HG3 ARG A 35 8.098 -5.923 -4.666 1.00 0.49 H new ATOM 0 HD2 ARG A 35 8.929 -8.049 -5.317 1.00 0.73 H new ATOM 0 HD3 ARG A 35 10.265 -6.941 -5.554 1.00 0.73 H new ATOM 0 HE ARG A 35 9.984 -8.806 -3.230 1.00 1.25 H new ATOM 0 HH11 ARG A 35 12.255 -6.907 -5.226 1.00 2.76 H new ATOM 0 HH12 ARG A 35 13.626 -7.776 -4.530 1.00 2.76 H new ATOM 0 HH21 ARG A 35 11.700 -9.845 -2.550 1.00 2.90 H new ATOM 0 HH22 ARG A 35 13.322 -9.377 -3.071 1.00 2.90 H new ATOM 138 N VAL A 36 7.501 -3.187 -2.883 1.00 0.25 N ATOM 139 CA VAL A 36 6.105 -2.853 -2.614 1.00 0.23 C ATOM 140 C VAL A 36 5.754 -1.593 -3.403 1.00 0.22 C ATOM 141 O VAL A 36 4.781 -1.603 -4.154 1.00 0.24 O ATOM 142 CB VAL A 36 5.847 -2.665 -1.105 1.00 0.24 C ATOM 143 CG1 VAL A 36 4.441 -2.114 -0.838 1.00 0.27 C ATOM 144 CG2 VAL A 36 5.969 -4.004 -0.365 1.00 0.24 C ATOM 0 H VAL A 36 8.102 -3.132 -2.061 1.00 0.25 H new ATOM 0 HA VAL A 36 5.465 -3.676 -2.932 1.00 0.23 H new ATOM 0 HB VAL A 36 6.594 -1.957 -0.746 1.00 0.24 H new ATOM 0 HG11 VAL A 36 4.295 -1.995 0.236 1.00 0.27 H new ATOM 0 HG12 VAL A 36 4.330 -1.147 -1.329 1.00 0.27 H new ATOM 0 HG13 VAL A 36 3.698 -2.808 -1.230 1.00 0.27 H new ATOM 0 HG21 VAL A 36 5.784 -3.850 0.698 1.00 0.24 H new ATOM 0 HG22 VAL A 36 5.238 -4.708 -0.763 1.00 0.24 H new ATOM 0 HG23 VAL A 36 6.972 -4.406 -0.504 1.00 0.24 H new ATOM 154 N THR A 37 6.581 -0.543 -3.317 1.00 0.21 N ATOM 155 CA THR A 37 6.367 0.712 -4.054 1.00 0.22 C ATOM 156 C THR A 37 6.255 0.490 -5.562 1.00 0.24 C ATOM 157 O THR A 37 5.363 1.038 -6.202 1.00 0.27 O ATOM 158 CB THR A 37 7.480 1.736 -3.774 1.00 0.25 C ATOM 159 OG1 THR A 37 7.550 2.092 -2.417 1.00 0.25 O ATOM 160 CG2 THR A 37 7.309 3.053 -4.528 1.00 0.35 C ATOM 0 H THR A 37 7.418 -0.538 -2.734 1.00 0.21 H new ATOM 0 HA THR A 37 5.418 1.108 -3.692 1.00 0.22 H new ATOM 0 HB THR A 37 8.381 1.220 -4.107 1.00 0.25 H new ATOM 0 HG1 THR A 37 7.849 1.321 -1.891 1.00 0.25 H new ATOM 0 HG21 THR A 37 8.131 3.724 -4.280 1.00 0.35 H new ATOM 0 HG22 THR A 37 7.309 2.861 -5.601 1.00 0.35 H new ATOM 0 HG23 THR A 37 6.364 3.516 -4.242 1.00 0.35 H new ATOM 168 N GLN A 38 7.115 -0.354 -6.127 1.00 0.25 N ATOM 169 CA GLN A 38 7.155 -0.663 -7.560 1.00 0.28 C ATOM 170 C GLN A 38 5.864 -1.352 -8.035 1.00 0.29 C ATOM 171 O GLN A 38 5.380 -1.031 -9.124 1.00 0.39 O ATOM 172 CB GLN A 38 8.396 -1.522 -7.887 1.00 0.37 C ATOM 173 CG GLN A 38 9.635 -0.759 -8.337 1.00 0.64 C ATOM 174 CD GLN A 38 10.363 0.060 -7.267 1.00 0.95 C ATOM 175 OE1 GLN A 38 11.376 -0.361 -6.719 1.00 2.76 O ATOM 176 NE2 GLN A 38 9.927 1.265 -6.967 1.00 0.68 N ATOM 0 H GLN A 38 7.822 -0.856 -5.590 1.00 0.25 H new ATOM 0 HA GLN A 38 7.230 0.279 -8.103 1.00 0.28 H new ATOM 0 HB2 GLN A 38 8.653 -2.105 -7.003 1.00 0.37 H new ATOM 0 HB3 GLN A 38 8.126 -2.232 -8.669 1.00 0.37 H new ATOM 0 HG2 GLN A 38 10.342 -1.475 -8.757 1.00 0.64 H new ATOM 0 HG3 GLN A 38 9.346 -0.085 -9.143 1.00 0.64 H new ATOM 0 HE21 GLN A 38 9.086 1.629 -7.415 1.00 0.68 H new ATOM 0 HE22 GLN A 38 10.430 1.835 -6.287 1.00 0.68 H new ATOM 185 N ILE A 39 5.262 -2.229 -7.218 1.00 0.25 N ATOM 186 CA ILE A 39 3.989 -2.891 -7.555 1.00 0.26 C ATOM 187 C ILE A 39 2.800 -1.956 -7.291 1.00 0.27 C ATOM 188 O ILE A 39 1.806 -1.980 -8.017 1.00 0.28 O ATOM 189 CB ILE A 39 3.834 -4.232 -6.806 1.00 0.29 C ATOM 190 CG1 ILE A 39 4.999 -5.198 -7.111 1.00 0.25 C ATOM 191 CG2 ILE A 39 2.504 -4.884 -7.227 1.00 0.42 C ATOM 192 CD1 ILE A 39 5.089 -6.375 -6.134 1.00 0.48 C ATOM 0 H ILE A 39 5.640 -2.499 -6.310 1.00 0.25 H new ATOM 0 HA ILE A 39 4.002 -3.119 -8.621 1.00 0.26 H new ATOM 0 HB ILE A 39 3.844 -4.030 -5.735 1.00 0.29 H new ATOM 0 HG12 ILE A 39 4.884 -5.585 -8.124 1.00 0.25 H new ATOM 0 HG13 ILE A 39 5.937 -4.643 -7.086 1.00 0.25 H new ATOM 0 HG21 ILE A 39 2.382 -5.833 -6.704 1.00 0.42 H new ATOM 0 HG22 ILE A 39 1.677 -4.221 -6.972 1.00 0.42 H new ATOM 0 HG23 ILE A 39 2.510 -5.060 -8.303 1.00 0.42 H new ATOM 0 HD11 ILE A 39 5.930 -7.012 -6.408 1.00 0.48 H new ATOM 0 HD12 ILE A 39 5.235 -5.997 -5.122 1.00 0.48 H new ATOM 0 HD13 ILE A 39 4.166 -6.954 -6.176 1.00 0.48 H new ATOM 204 N LEU A 40 2.905 -1.058 -6.309 1.00 0.28 N ATOM 205 CA LEU A 40 1.913 -0.002 -6.113 1.00 0.31 C ATOM 206 C LEU A 40 1.780 0.917 -7.331 1.00 0.36 C ATOM 207 O LEU A 40 0.664 1.304 -7.668 1.00 0.44 O ATOM 208 CB LEU A 40 2.261 0.819 -4.867 1.00 0.32 C ATOM 209 CG LEU A 40 1.965 0.118 -3.529 1.00 0.36 C ATOM 210 CD1 LEU A 40 2.072 1.154 -2.415 1.00 0.52 C ATOM 211 CD2 LEU A 40 0.593 -0.554 -3.431 1.00 0.29 C ATOM 0 H LEU A 40 3.671 -1.043 -5.635 1.00 0.28 H new ATOM 0 HA LEU A 40 0.948 -0.490 -5.976 1.00 0.31 H new ATOM 0 HB2 LEU A 40 3.320 1.074 -4.901 1.00 0.32 H new ATOM 0 HB3 LEU A 40 1.706 1.757 -4.900 1.00 0.32 H new ATOM 0 HG LEU A 40 2.697 -0.685 -3.443 1.00 0.36 H new ATOM 0 HD11 LEU A 40 1.866 0.679 -1.456 1.00 0.52 H new ATOM 0 HD12 LEU A 40 3.078 1.573 -2.404 1.00 0.52 H new ATOM 0 HD13 LEU A 40 1.349 1.951 -2.588 1.00 0.52 H new ATOM 0 HD21 LEU A 40 0.484 -1.018 -2.451 1.00 0.29 H new ATOM 0 HD22 LEU A 40 -0.189 0.193 -3.568 1.00 0.29 H new ATOM 0 HD23 LEU A 40 0.505 -1.316 -4.205 1.00 0.29 H new ATOM 223 N LYS A 41 2.878 1.211 -8.037 1.00 0.36 N ATOM 224 CA LYS A 41 2.833 2.009 -9.277 1.00 0.44 C ATOM 225 C LYS A 41 2.095 1.318 -10.415 1.00 0.50 C ATOM 226 O LYS A 41 1.686 1.987 -11.358 1.00 0.69 O ATOM 227 CB LYS A 41 4.214 2.459 -9.766 1.00 0.49 C ATOM 228 CG LYS A 41 4.986 3.090 -8.618 1.00 0.51 C ATOM 229 CD LYS A 41 5.905 4.259 -8.997 1.00 0.73 C ATOM 230 CE LYS A 41 6.796 4.559 -7.786 1.00 0.97 C ATOM 231 NZ LYS A 41 7.924 5.473 -8.099 1.00 1.38 N ATOM 0 H LYS A 41 3.815 0.908 -7.772 1.00 0.36 H new ATOM 0 HA LYS A 41 2.268 2.896 -8.991 1.00 0.44 H new ATOM 0 HB2 LYS A 41 4.765 1.606 -10.162 1.00 0.49 H new ATOM 0 HB3 LYS A 41 4.106 3.175 -10.581 1.00 0.49 H new ATOM 0 HG2 LYS A 41 4.271 3.440 -7.873 1.00 0.51 H new ATOM 0 HG3 LYS A 41 5.589 2.317 -8.142 1.00 0.51 H new ATOM 0 HD2 LYS A 41 6.512 4.003 -9.865 1.00 0.73 H new ATOM 0 HD3 LYS A 41 5.317 5.136 -9.267 1.00 0.73 H new ATOM 0 HE2 LYS A 41 6.188 5.001 -6.997 1.00 0.97 H new ATOM 0 HE3 LYS A 41 7.194 3.622 -7.395 1.00 0.97 H new ATOM 0 HZ1 LYS A 41 8.487 5.636 -7.240 1.00 1.38 H new ATOM 0 HZ2 LYS A 41 8.525 5.044 -8.831 1.00 1.38 H new ATOM 0 HZ3 LYS A 41 7.550 6.380 -8.445 1.00 1.38 H new ATOM 245 N GLU A 42 1.919 0.003 -10.350 1.00 0.38 N ATOM 246 CA GLU A 42 1.240 -0.807 -11.319 1.00 0.36 C ATOM 247 C GLU A 42 -0.198 -1.129 -10.954 1.00 0.35 C ATOM 248 O GLU A 42 -1.064 -1.126 -11.838 1.00 0.41 O ATOM 249 CB GLU A 42 2.017 -2.090 -11.383 1.00 0.32 C ATOM 250 CG GLU A 42 3.293 -2.062 -12.192 1.00 0.44 C ATOM 251 CD GLU A 42 3.932 -3.438 -12.436 1.00 0.97 C ATOM 252 OE1 GLU A 42 4.414 -4.082 -11.472 1.00 1.99 O ATOM 253 OE2 GLU A 42 3.981 -3.881 -13.613 1.00 2.17 O ATOM 0 H GLU A 42 2.273 -0.546 -9.567 1.00 0.38 H new ATOM 0 HA GLU A 42 1.193 -0.265 -12.263 1.00 0.36 H new ATOM 0 HB2 GLU A 42 2.264 -2.391 -10.365 1.00 0.32 H new ATOM 0 HB3 GLU A 42 1.368 -2.863 -11.795 1.00 0.32 H new ATOM 0 HG2 GLU A 42 3.085 -1.598 -13.156 1.00 0.44 H new ATOM 0 HG3 GLU A 42 4.016 -1.427 -11.681 1.00 0.44 H new ATOM 260 N LYS A 43 -0.483 -1.400 -9.673 1.00 0.31 N ATOM 261 CA LYS A 43 -1.862 -1.564 -9.240 1.00 0.32 C ATOM 262 C LYS A 43 -2.587 -0.231 -9.066 1.00 0.35 C ATOM 263 O LYS A 43 -3.813 -0.200 -9.161 1.00 0.42 O ATOM 264 CB LYS A 43 -1.993 -2.483 -8.014 1.00 0.27 C ATOM 265 CG LYS A 43 -1.423 -3.907 -8.135 1.00 0.36 C ATOM 266 CD LYS A 43 -1.860 -4.660 -9.405 1.00 0.63 C ATOM 267 CE LYS A 43 -0.800 -5.643 -9.908 1.00 1.14 C ATOM 268 NZ LYS A 43 -1.095 -6.087 -11.291 1.00 1.81 N ATOM 0 H LYS A 43 0.214 -1.507 -8.936 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.376 -2.078 -10.052 1.00 0.32 H new ATOM 0 HB2 LYS A 43 -1.503 -1.994 -7.172 1.00 0.27 H new ATOM 0 HB3 LYS A 43 -3.051 -2.563 -7.764 1.00 0.27 H new ATOM 0 HG2 LYS A 43 -0.335 -3.853 -8.116 1.00 0.36 H new ATOM 0 HG3 LYS A 43 -1.729 -4.483 -7.262 1.00 0.36 H new ATOM 0 HD2 LYS A 43 -2.783 -5.202 -9.201 1.00 0.63 H new ATOM 0 HD3 LYS A 43 -2.082 -3.938 -10.191 1.00 0.63 H new ATOM 0 HE2 LYS A 43 0.182 -5.171 -9.876 1.00 1.14 H new ATOM 0 HE3 LYS A 43 -0.759 -6.508 -9.246 1.00 1.14 H new ATOM 0 HZ1 LYS A 43 -0.360 -6.752 -11.606 1.00 1.81 H new ATOM 0 HZ2 LYS A 43 -2.022 -6.558 -11.314 1.00 1.81 H new ATOM 0 HZ3 LYS A 43 -1.110 -5.262 -11.925 1.00 1.81 H new ATOM 282 N PHE A 44 -1.837 0.862 -8.880 1.00 0.35 N ATOM 283 CA PHE A 44 -2.390 2.210 -8.733 1.00 0.39 C ATOM 284 C PHE A 44 -1.701 3.370 -9.497 1.00 0.52 C ATOM 285 O PHE A 44 -1.426 4.429 -8.925 1.00 0.53 O ATOM 286 CB PHE A 44 -2.593 2.506 -7.231 1.00 0.29 C ATOM 287 CG PHE A 44 -3.265 1.406 -6.430 1.00 0.23 C ATOM 288 CD1 PHE A 44 -2.489 0.452 -5.740 1.00 2.11 C ATOM 289 CD2 PHE A 44 -4.669 1.305 -6.419 1.00 1.94 C ATOM 290 CE1 PHE A 44 -3.112 -0.609 -5.059 1.00 2.09 C ATOM 291 CE2 PHE A 44 -5.292 0.246 -5.738 1.00 1.96 C ATOM 292 CZ PHE A 44 -4.513 -0.711 -5.066 1.00 0.26 C ATOM 0 H PHE A 44 -0.819 0.833 -8.827 1.00 0.35 H new ATOM 0 HA PHE A 44 -3.345 2.183 -9.258 1.00 0.39 H new ATOM 0 HB2 PHE A 44 -1.620 2.713 -6.785 1.00 0.29 H new ATOM 0 HB3 PHE A 44 -3.187 3.415 -7.135 1.00 0.29 H new ATOM 0 HD1 PHE A 44 -1.412 0.536 -5.735 1.00 2.11 H new ATOM 0 HD2 PHE A 44 -5.267 2.042 -6.934 1.00 1.94 H new ATOM 0 HE1 PHE A 44 -2.517 -1.341 -4.534 1.00 2.09 H new ATOM 0 HE2 PHE A 44 -6.369 0.167 -5.731 1.00 1.96 H new ATOM 0 HZ PHE A 44 -4.994 -1.530 -4.552 1.00 0.26 H new ATOM 302 N PRO A 45 -1.489 3.253 -10.820 1.00 0.65 N ATOM 303 CA PRO A 45 -0.981 4.344 -11.663 1.00 0.81 C ATOM 304 C PRO A 45 -1.969 5.501 -11.866 1.00 0.77 C ATOM 305 O PRO A 45 -1.549 6.627 -12.154 1.00 0.89 O ATOM 306 CB PRO A 45 -0.619 3.689 -12.997 1.00 0.98 C ATOM 307 CG PRO A 45 -1.503 2.443 -13.052 1.00 0.92 C ATOM 308 CD PRO A 45 -1.598 2.033 -11.594 1.00 0.69 C ATOM 0 HA PRO A 45 -0.128 4.816 -11.175 1.00 0.81 H new ATOM 0 HB2 PRO A 45 -0.818 4.356 -13.836 1.00 0.98 H new ATOM 0 HB3 PRO A 45 0.439 3.430 -13.040 1.00 0.98 H new ATOM 0 HG2 PRO A 45 -2.483 2.661 -13.475 1.00 0.92 H new ATOM 0 HG3 PRO A 45 -1.059 1.659 -13.665 1.00 0.92 H new ATOM 0 HD2 PRO A 45 -2.543 1.528 -11.393 1.00 0.69 H new ATOM 0 HD3 PRO A 45 -0.802 1.335 -11.334 1.00 0.69 H new ATOM 316 N ARG A 46 -3.279 5.280 -11.691 1.00 0.66 N ATOM 317 CA ARG A 46 -4.276 6.347 -11.818 1.00 0.68 C ATOM 318 C ARG A 46 -4.410 7.181 -10.536 1.00 0.46 C ATOM 319 O ARG A 46 -4.884 8.315 -10.599 1.00 0.70 O ATOM 320 CB ARG A 46 -5.614 5.767 -12.293 1.00 0.92 C ATOM 321 CG ARG A 46 -5.546 4.867 -13.540 1.00 1.19 C ATOM 322 CD ARG A 46 -5.334 5.571 -14.888 1.00 1.98 C ATOM 323 NE ARG A 46 -4.022 6.231 -15.025 1.00 3.71 N ATOM 324 CZ ARG A 46 -2.881 5.699 -15.429 1.00 5.03 C ATOM 325 NH1 ARG A 46 -2.743 4.450 -15.756 1.00 5.38 N ATOM 326 NH2 ARG A 46 -1.822 6.443 -15.499 1.00 6.75 N ATOM 0 H ARG A 46 -3.672 4.368 -11.460 1.00 0.66 H new ATOM 0 HA ARG A 46 -3.929 7.046 -12.578 1.00 0.68 H new ATOM 0 HB2 ARG A 46 -6.050 5.192 -11.476 1.00 0.92 H new ATOM 0 HB3 ARG A 46 -6.294 6.593 -12.500 1.00 0.92 H new ATOM 0 HG2 ARG A 46 -4.736 4.151 -13.399 1.00 1.19 H new ATOM 0 HG3 ARG A 46 -6.472 4.294 -13.597 1.00 1.19 H new ATOM 0 HD2 ARG A 46 -5.446 4.840 -15.689 1.00 1.98 H new ATOM 0 HD3 ARG A 46 -6.119 6.315 -15.024 1.00 1.98 H new ATOM 0 HE ARG A 46 -3.991 7.220 -14.777 1.00 3.71 H new ATOM 0 HH11 ARG A 46 -3.543 3.819 -15.708 1.00 5.38 H new ATOM 0 HH12 ARG A 46 -1.835 4.100 -16.060 1.00 5.38 H new ATOM 0 HH21 ARG A 46 -1.874 7.429 -15.244 1.00 6.75 H new ATOM 0 HH22 ARG A 46 -0.937 6.042 -15.809 1.00 6.75 H new ATOM 340 N ALA A 47 -3.943 6.655 -9.401 1.00 0.29 N ATOM 341 CA ALA A 47 -3.922 7.315 -8.095 1.00 0.31 C ATOM 342 C ALA A 47 -3.198 8.667 -8.103 1.00 0.30 C ATOM 343 O ALA A 47 -2.199 8.846 -8.810 1.00 0.58 O ATOM 344 CB ALA A 47 -3.282 6.358 -7.090 1.00 0.59 C ATOM 0 H ALA A 47 -3.551 5.714 -9.367 1.00 0.29 H new ATOM 0 HA ALA A 47 -4.950 7.544 -7.814 1.00 0.31 H new ATOM 0 HB1 ALA A 47 -3.255 6.828 -6.107 1.00 0.59 H new ATOM 0 HB2 ALA A 47 -3.868 5.440 -7.038 1.00 0.59 H new ATOM 0 HB3 ALA A 47 -2.266 6.122 -7.408 1.00 0.59 H new ATOM 350 N THR A 48 -3.690 9.597 -7.285 1.00 0.20 N ATOM 351 CA THR A 48 -3.102 10.926 -7.099 1.00 0.26 C ATOM 352 C THR A 48 -2.013 10.896 -6.029 1.00 0.41 C ATOM 353 O THR A 48 -1.031 11.634 -6.167 1.00 0.73 O ATOM 354 CB THR A 48 -4.174 11.968 -6.771 1.00 0.37 C ATOM 355 OG1 THR A 48 -4.839 11.639 -5.581 1.00 0.54 O ATOM 356 CG2 THR A 48 -5.240 12.084 -7.861 1.00 0.44 C ATOM 0 H THR A 48 -4.526 9.446 -6.721 1.00 0.20 H new ATOM 0 HA THR A 48 -2.638 11.220 -8.040 1.00 0.26 H new ATOM 0 HB THR A 48 -3.642 12.915 -6.682 1.00 0.37 H new ATOM 0 HG1 THR A 48 -5.519 12.318 -5.388 1.00 0.54 H new ATOM 0 HG21 THR A 48 -5.973 12.838 -7.574 1.00 0.44 H new ATOM 0 HG22 THR A 48 -4.770 12.375 -8.800 1.00 0.44 H new ATOM 0 HG23 THR A 48 -5.738 11.123 -7.987 1.00 0.44 H new ATOM 364 N ALA A 49 -2.115 9.987 -5.046 1.00 0.29 N ATOM 365 CA ALA A 49 -1.012 9.619 -4.151 1.00 0.36 C ATOM 366 C ALA A 49 -0.679 8.115 -4.208 1.00 0.34 C ATOM 367 O ALA A 49 -1.588 7.291 -4.306 1.00 0.34 O ATOM 368 CB ALA A 49 -1.344 10.060 -2.722 1.00 0.41 C ATOM 0 H ALA A 49 -2.979 9.481 -4.850 1.00 0.29 H new ATOM 0 HA ALA A 49 -0.117 10.139 -4.491 1.00 0.36 H new ATOM 0 HB1 ALA A 49 -0.525 9.787 -2.057 1.00 0.41 H new ATOM 0 HB2 ALA A 49 -1.485 11.141 -2.698 1.00 0.41 H new ATOM 0 HB3 ALA A 49 -2.259 9.567 -2.392 1.00 0.41 H new ATOM 374 N ILE A 50 0.612 7.779 -4.099 1.00 0.37 N ATOM 375 CA ILE A 50 1.191 6.434 -3.909 1.00 0.37 C ATOM 376 C ILE A 50 2.574 6.541 -3.241 1.00 0.37 C ATOM 377 O ILE A 50 3.535 7.008 -3.856 1.00 0.41 O ATOM 378 CB ILE A 50 1.355 5.646 -5.241 1.00 0.38 C ATOM 379 CG1 ILE A 50 1.674 6.545 -6.462 1.00 0.41 C ATOM 380 CG2 ILE A 50 0.136 4.753 -5.512 1.00 0.42 C ATOM 381 CD1 ILE A 50 2.263 5.773 -7.648 1.00 0.56 C ATOM 0 H ILE A 50 1.339 8.493 -4.144 1.00 0.37 H new ATOM 0 HA ILE A 50 0.489 5.890 -3.277 1.00 0.37 H new ATOM 0 HB ILE A 50 2.229 5.010 -5.104 1.00 0.38 H new ATOM 0 HG12 ILE A 50 0.761 7.048 -6.782 1.00 0.41 H new ATOM 0 HG13 ILE A 50 2.376 7.322 -6.159 1.00 0.41 H new ATOM 0 HG21 ILE A 50 0.280 4.215 -6.449 1.00 0.42 H new ATOM 0 HG22 ILE A 50 0.021 4.038 -4.697 1.00 0.42 H new ATOM 0 HG23 ILE A 50 -0.759 5.371 -5.582 1.00 0.42 H new ATOM 0 HD11 ILE A 50 2.463 6.463 -8.468 1.00 0.56 H new ATOM 0 HD12 ILE A 50 3.193 5.292 -7.344 1.00 0.56 H new ATOM 0 HD13 ILE A 50 1.553 5.014 -7.977 1.00 0.56 H new ATOM 393 N LYS A 51 2.700 6.088 -1.988 1.00 0.36 N ATOM 394 CA LYS A 51 3.963 6.052 -1.227 1.00 0.40 C ATOM 395 C LYS A 51 3.987 4.956 -0.154 1.00 0.41 C ATOM 396 O LYS A 51 2.931 4.530 0.320 1.00 0.43 O ATOM 397 CB LYS A 51 4.234 7.440 -0.637 1.00 0.45 C ATOM 398 CG LYS A 51 3.161 7.936 0.346 1.00 0.51 C ATOM 399 CD LYS A 51 3.100 9.465 0.369 1.00 0.60 C ATOM 400 CE LYS A 51 2.372 9.979 -0.879 1.00 0.71 C ATOM 401 NZ LYS A 51 2.460 11.451 -1.002 1.00 1.02 N ATOM 0 H LYS A 51 1.908 5.726 -1.458 1.00 0.36 H new ATOM 0 HA LYS A 51 4.767 5.791 -1.915 1.00 0.40 H new ATOM 0 HB2 LYS A 51 5.196 7.422 -0.126 1.00 0.45 H new ATOM 0 HB3 LYS A 51 4.320 8.157 -1.453 1.00 0.45 H new ATOM 0 HG2 LYS A 51 2.189 7.534 0.061 1.00 0.51 H new ATOM 0 HG3 LYS A 51 3.379 7.562 1.346 1.00 0.51 H new ATOM 0 HD2 LYS A 51 2.583 9.803 1.267 1.00 0.60 H new ATOM 0 HD3 LYS A 51 4.108 9.877 0.408 1.00 0.60 H new ATOM 0 HE2 LYS A 51 2.801 9.514 -1.767 1.00 0.71 H new ATOM 0 HE3 LYS A 51 1.325 9.680 -0.837 1.00 0.71 H new ATOM 0 HZ1 LYS A 51 1.956 11.759 -1.858 1.00 1.02 H new ATOM 0 HZ2 LYS A 51 2.028 11.896 -0.167 1.00 1.02 H new ATOM 0 HZ3 LYS A 51 3.458 11.735 -1.068 1.00 1.02 H new ATOM 415 N VAL A 52 5.191 4.522 0.226 1.00 0.40 N ATOM 416 CA VAL A 52 5.466 3.446 1.202 1.00 0.38 C ATOM 417 C VAL A 52 6.547 3.887 2.185 1.00 0.40 C ATOM 418 O VAL A 52 7.484 4.581 1.788 1.00 0.51 O ATOM 419 CB VAL A 52 5.946 2.149 0.508 1.00 0.40 C ATOM 420 CG1 VAL A 52 6.000 0.942 1.456 1.00 0.41 C ATOM 421 CG2 VAL A 52 5.063 1.750 -0.677 1.00 0.42 C ATOM 0 H VAL A 52 6.048 4.926 -0.153 1.00 0.40 H new ATOM 0 HA VAL A 52 4.530 3.245 1.724 1.00 0.38 H new ATOM 0 HB VAL A 52 6.951 2.395 0.164 1.00 0.40 H new ATOM 0 HG11 VAL A 52 6.344 0.064 0.909 1.00 0.41 H new ATOM 0 HG12 VAL A 52 6.689 1.152 2.274 1.00 0.41 H new ATOM 0 HG13 VAL A 52 5.005 0.751 1.859 1.00 0.41 H new ATOM 0 HG21 VAL A 52 5.447 0.834 -1.125 1.00 0.42 H new ATOM 0 HG22 VAL A 52 4.043 1.585 -0.331 1.00 0.42 H new ATOM 0 HG23 VAL A 52 5.069 2.547 -1.420 1.00 0.42 H new ATOM 431 N THR A 53 6.464 3.450 3.445 1.00 0.35 N ATOM 432 CA THR A 53 7.518 3.647 4.446 1.00 0.34 C ATOM 433 C THR A 53 7.823 2.366 5.190 1.00 0.33 C ATOM 434 O THR A 53 6.926 1.767 5.764 1.00 0.39 O ATOM 435 CB THR A 53 7.075 4.716 5.458 1.00 0.42 C ATOM 436 OG1 THR A 53 6.656 5.902 4.818 1.00 0.61 O ATOM 437 CG2 THR A 53 8.133 5.086 6.481 1.00 0.38 C ATOM 0 H THR A 53 5.654 2.944 3.803 1.00 0.35 H new ATOM 0 HA THR A 53 8.419 3.967 3.922 1.00 0.34 H new ATOM 0 HB THR A 53 6.245 4.247 5.986 1.00 0.42 H new ATOM 0 HG1 THR A 53 6.380 6.558 5.492 1.00 0.61 H new ATOM 0 HG21 THR A 53 7.737 5.846 7.155 1.00 0.38 H new ATOM 0 HG22 THR A 53 8.410 4.201 7.054 1.00 0.38 H new ATOM 0 HG23 THR A 53 9.012 5.477 5.970 1.00 0.38 H new ATOM 445 N ASP A 54 9.091 1.972 5.253 1.00 0.30 N ATOM 446 CA ASP A 54 9.546 0.945 6.191 1.00 0.28 C ATOM 447 C ASP A 54 9.593 1.525 7.601 1.00 0.27 C ATOM 448 O ASP A 54 10.260 2.528 7.879 1.00 0.36 O ATOM 449 CB ASP A 54 10.945 0.457 5.773 1.00 0.30 C ATOM 450 CG ASP A 54 11.647 -0.299 6.914 1.00 0.48 C ATOM 451 OD1 ASP A 54 11.030 -1.213 7.497 1.00 1.50 O ATOM 452 OD2 ASP A 54 12.776 0.100 7.294 1.00 1.80 O ATOM 0 H ASP A 54 9.830 2.351 4.661 1.00 0.30 H new ATOM 0 HA ASP A 54 8.854 0.103 6.178 1.00 0.28 H new ATOM 0 HB2 ASP A 54 10.859 -0.195 4.904 1.00 0.30 H new ATOM 0 HB3 ASP A 54 11.554 1.310 5.473 1.00 0.30 H new ATOM 457 N ILE A 55 8.898 0.837 8.497 1.00 0.24 N ATOM 458 CA ILE A 55 8.798 1.162 9.918 1.00 0.30 C ATOM 459 C ILE A 55 9.227 -0.050 10.766 1.00 0.37 C ATOM 460 O ILE A 55 8.719 -0.279 11.865 1.00 0.46 O ATOM 461 CB ILE A 55 7.413 1.781 10.215 1.00 0.34 C ATOM 462 CG1 ILE A 55 6.241 0.803 9.983 1.00 0.26 C ATOM 463 CG2 ILE A 55 7.233 3.077 9.400 1.00 0.48 C ATOM 464 CD1 ILE A 55 4.848 1.453 9.994 1.00 0.29 C ATOM 0 H ILE A 55 8.366 0.003 8.246 1.00 0.24 H new ATOM 0 HA ILE A 55 9.501 1.942 10.212 1.00 0.30 H new ATOM 0 HB ILE A 55 7.388 2.017 11.279 1.00 0.34 H new ATOM 0 HG12 ILE A 55 6.386 0.304 9.025 1.00 0.26 H new ATOM 0 HG13 ILE A 55 6.273 0.031 10.752 1.00 0.26 H new ATOM 0 HG21 ILE A 55 6.255 3.508 9.614 1.00 0.48 H new ATOM 0 HG22 ILE A 55 8.011 3.790 9.673 1.00 0.48 H new ATOM 0 HG23 ILE A 55 7.305 2.851 8.336 1.00 0.48 H new ATOM 0 HD11 ILE A 55 4.089 0.690 9.823 1.00 0.29 H new ATOM 0 HD12 ILE A 55 4.675 1.927 10.960 1.00 0.29 H new ATOM 0 HD13 ILE A 55 4.791 2.204 9.206 1.00 0.29 H new ATOM 476 N SER A 56 10.149 -0.850 10.212 1.00 0.37 N ATOM 477 CA SER A 56 10.674 -2.103 10.745 1.00 0.43 C ATOM 478 C SER A 56 12.190 -2.226 10.537 1.00 0.47 C ATOM 479 O SER A 56 12.699 -3.154 9.907 1.00 0.51 O ATOM 480 CB SER A 56 9.853 -3.253 10.182 1.00 0.46 C ATOM 481 OG SER A 56 10.218 -4.516 10.710 1.00 1.25 O ATOM 0 H SER A 56 10.574 -0.616 9.315 1.00 0.37 H new ATOM 0 HA SER A 56 10.564 -2.131 11.829 1.00 0.43 H new ATOM 0 HB2 SER A 56 8.798 -3.072 10.389 1.00 0.46 H new ATOM 0 HB3 SER A 56 9.966 -3.274 9.098 1.00 0.46 H new ATOM 0 HG SER A 56 10.094 -4.513 11.682 1.00 1.25 H new ATOM 487 N GLY A 57 12.960 -1.324 11.142 1.00 0.60 N ATOM 488 CA GLY A 57 14.428 -1.290 11.098 1.00 0.73 C ATOM 489 C GLY A 57 15.168 -2.463 11.770 1.00 0.94 C ATOM 490 O GLY A 57 16.388 -2.397 11.948 1.00 1.51 O ATOM 0 H GLY A 57 12.567 -0.565 11.699 1.00 0.60 H new ATOM 0 HA2 GLY A 57 14.736 -1.247 10.053 1.00 0.73 H new ATOM 0 HA3 GLY A 57 14.761 -0.364 11.567 1.00 0.73 H new ATOM 494 N GLY A 58 14.456 -3.528 12.152 1.00 0.71 N ATOM 495 CA GLY A 58 15.007 -4.800 12.632 1.00 0.85 C ATOM 496 C GLY A 58 14.591 -6.032 11.810 1.00 0.75 C ATOM 497 O GLY A 58 15.046 -7.138 12.114 1.00 0.91 O ATOM 0 H GLY A 58 13.436 -3.527 12.134 1.00 0.71 H new ATOM 0 HA2 GLY A 58 16.095 -4.732 12.633 1.00 0.85 H new ATOM 0 HA3 GLY A 58 14.696 -4.948 13.666 1.00 0.85 H new ATOM 501 N CYS A 59 13.717 -5.887 10.804 1.00 0.68 N ATOM 502 CA CYS A 59 13.192 -7.013 10.006 1.00 0.80 C ATOM 503 C CYS A 59 12.673 -6.628 8.606 1.00 0.79 C ATOM 504 O CYS A 59 12.681 -7.450 7.683 1.00 0.99 O ATOM 505 CB CYS A 59 12.017 -7.631 10.786 1.00 0.94 C ATOM 506 SG CYS A 59 11.637 -9.281 10.131 1.00 1.84 S ATOM 0 H CYS A 59 13.350 -4.980 10.516 1.00 0.68 H new ATOM 0 HA CYS A 59 14.026 -7.698 9.850 1.00 0.80 H new ATOM 0 HB2 CYS A 59 12.268 -7.700 11.844 1.00 0.94 H new ATOM 0 HB3 CYS A 59 11.140 -6.989 10.708 1.00 0.94 H new ATOM 0 HG CYS A 59 11.857 -9.301 8.850 1.00 1.84 H new ATOM 512 N GLY A 60 12.141 -5.414 8.470 1.00 0.61 N ATOM 513 CA GLY A 60 11.266 -4.976 7.386 1.00 0.53 C ATOM 514 C GLY A 60 9.968 -5.796 7.291 1.00 0.52 C ATOM 515 O GLY A 60 9.636 -6.310 6.220 1.00 0.61 O ATOM 0 H GLY A 60 12.318 -4.673 9.148 1.00 0.61 H new ATOM 0 HA2 GLY A 60 11.015 -3.925 7.531 1.00 0.53 H new ATOM 0 HA3 GLY A 60 11.804 -5.048 6.441 1.00 0.53 H new ATOM 519 N ALA A 61 9.276 -5.980 8.421 1.00 0.55 N ATOM 520 CA ALA A 61 7.996 -6.693 8.552 1.00 0.65 C ATOM 521 C ALA A 61 6.765 -5.776 8.768 1.00 0.64 C ATOM 522 O ALA A 61 5.632 -6.211 8.554 1.00 0.81 O ATOM 523 CB ALA A 61 8.150 -7.695 9.700 1.00 0.86 C ATOM 0 H ALA A 61 9.608 -5.618 9.315 1.00 0.55 H new ATOM 0 HA ALA A 61 7.787 -7.192 7.606 1.00 0.65 H new ATOM 0 HB1 ALA A 61 7.218 -8.246 9.830 1.00 0.86 H new ATOM 0 HB2 ALA A 61 8.955 -8.393 9.469 1.00 0.86 H new ATOM 0 HB3 ALA A 61 8.386 -7.161 10.620 1.00 0.86 H new ATOM 529 N MET A 62 6.971 -4.516 9.168 1.00 0.61 N ATOM 530 CA MET A 62 5.971 -3.442 9.193 1.00 0.41 C ATOM 531 C MET A 62 6.262 -2.365 8.146 1.00 0.34 C ATOM 532 O MET A 62 7.409 -1.937 8.008 1.00 0.36 O ATOM 533 CB MET A 62 5.921 -2.746 10.562 1.00 0.50 C ATOM 534 CG MET A 62 5.216 -3.536 11.653 1.00 0.61 C ATOM 535 SD MET A 62 5.945 -3.476 13.312 1.00 1.29 S ATOM 536 CE MET A 62 7.510 -4.342 13.032 1.00 1.35 C ATOM 0 H MET A 62 7.883 -4.202 9.499 1.00 0.61 H new ATOM 0 HA MET A 62 5.018 -3.925 8.978 1.00 0.41 H new ATOM 0 HB2 MET A 62 6.941 -2.537 10.885 1.00 0.50 H new ATOM 0 HB3 MET A 62 5.420 -1.785 10.447 1.00 0.50 H new ATOM 0 HG2 MET A 62 4.189 -3.178 11.721 1.00 0.61 H new ATOM 0 HG3 MET A 62 5.170 -4.579 11.340 1.00 0.61 H new ATOM 0 HE1 MET A 62 7.912 -4.684 13.986 1.00 1.35 H new ATOM 0 HE2 MET A 62 7.340 -5.200 12.381 1.00 1.35 H new ATOM 0 HE3 MET A 62 8.222 -3.664 12.560 1.00 1.35 H new ATOM 546 N TYR A 63 5.206 -1.859 7.500 1.00 0.31 N ATOM 547 CA TYR A 63 5.281 -0.713 6.593 1.00 0.29 C ATOM 548 C TYR A 63 4.051 0.204 6.689 1.00 0.27 C ATOM 549 O TYR A 63 2.927 -0.245 6.896 1.00 0.32 O ATOM 550 CB TYR A 63 5.446 -1.162 5.134 1.00 0.34 C ATOM 551 CG TYR A 63 6.691 -1.959 4.791 1.00 0.36 C ATOM 552 CD1 TYR A 63 6.681 -3.348 5.012 1.00 1.90 C ATOM 553 CD2 TYR A 63 7.844 -1.346 4.259 1.00 1.70 C ATOM 554 CE1 TYR A 63 7.828 -4.120 4.769 1.00 1.89 C ATOM 555 CE2 TYR A 63 9.009 -2.109 4.056 1.00 1.71 C ATOM 556 CZ TYR A 63 9.012 -3.494 4.332 1.00 0.36 C ATOM 557 OH TYR A 63 10.142 -4.239 4.193 1.00 0.38 O ATOM 0 H TYR A 63 4.265 -2.240 7.595 1.00 0.31 H new ATOM 0 HA TYR A 63 6.158 -0.148 6.909 1.00 0.29 H new ATOM 0 HB2 TYR A 63 4.576 -1.761 4.864 1.00 0.34 H new ATOM 0 HB3 TYR A 63 5.429 -0.273 4.503 1.00 0.34 H new ATOM 0 HD1 TYR A 63 5.782 -3.825 5.372 1.00 1.90 H new ATOM 0 HD2 TYR A 63 7.833 -0.296 4.008 1.00 1.70 H new ATOM 0 HE1 TYR A 63 7.803 -5.190 4.916 1.00 1.89 H new ATOM 0 HE2 TYR A 63 9.905 -1.633 3.687 1.00 1.71 H new ATOM 0 HH TYR A 63 10.111 -4.998 4.812 1.00 0.38 H new ATOM 567 N GLU A 64 4.253 1.491 6.453 1.00 0.26 N ATOM 568 CA GLU A 64 3.217 2.480 6.146 1.00 0.35 C ATOM 569 C GLU A 64 2.931 2.467 4.631 1.00 0.56 C ATOM 570 O GLU A 64 3.877 2.411 3.850 1.00 0.83 O ATOM 571 CB GLU A 64 3.734 3.862 6.600 1.00 0.53 C ATOM 572 CG GLU A 64 2.678 4.716 7.282 1.00 0.38 C ATOM 573 CD GLU A 64 3.272 6.033 7.814 1.00 0.66 C ATOM 574 OE1 GLU A 64 3.241 7.065 7.097 1.00 1.96 O ATOM 575 OE2 GLU A 64 3.767 6.066 8.968 1.00 1.83 O ATOM 0 H GLU A 64 5.187 1.900 6.470 1.00 0.26 H new ATOM 0 HA GLU A 64 2.287 2.250 6.666 1.00 0.35 H new ATOM 0 HB2 GLU A 64 4.571 3.720 7.284 1.00 0.53 H new ATOM 0 HB3 GLU A 64 4.118 4.399 5.733 1.00 0.53 H new ATOM 0 HG2 GLU A 64 1.876 4.936 6.577 1.00 0.38 H new ATOM 0 HG3 GLU A 64 2.234 4.157 8.106 1.00 0.38 H new ATOM 582 N ILE A 65 1.672 2.550 4.186 1.00 0.44 N ATOM 583 CA ILE A 65 1.304 2.730 2.764 1.00 0.41 C ATOM 584 C ILE A 65 0.218 3.799 2.637 1.00 0.33 C ATOM 585 O ILE A 65 -0.804 3.703 3.311 1.00 0.28 O ATOM 586 CB ILE A 65 0.832 1.403 2.115 1.00 0.43 C ATOM 587 CG1 ILE A 65 1.980 0.373 2.055 1.00 0.53 C ATOM 588 CG2 ILE A 65 0.277 1.666 0.699 1.00 0.42 C ATOM 589 CD1 ILE A 65 1.566 -1.006 1.528 1.00 0.63 C ATOM 0 H ILE A 65 0.864 2.494 4.806 1.00 0.44 H new ATOM 0 HA ILE A 65 2.196 3.054 2.229 1.00 0.41 H new ATOM 0 HB ILE A 65 0.037 0.989 2.736 1.00 0.43 H new ATOM 0 HG12 ILE A 65 2.773 0.768 1.420 1.00 0.53 H new ATOM 0 HG13 ILE A 65 2.399 0.256 3.054 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -0.050 0.725 0.256 1.00 0.42 H new ATOM 0 HG22 ILE A 65 -0.568 2.351 0.761 1.00 0.42 H new ATOM 0 HG23 ILE A 65 1.057 2.107 0.079 1.00 0.42 H new ATOM 0 HD11 ILE A 65 2.432 -1.667 1.519 1.00 0.63 H new ATOM 0 HD12 ILE A 65 0.795 -1.426 2.174 1.00 0.63 H new ATOM 0 HD13 ILE A 65 1.175 -0.906 0.515 1.00 0.63 H new ATOM 601 N LYS A 66 0.388 4.773 1.734 1.00 0.35 N ATOM 602 CA LYS A 66 -0.574 5.862 1.485 1.00 0.28 C ATOM 603 C LYS A 66 -0.914 5.974 0.001 1.00 0.22 C ATOM 604 O LYS A 66 -0.025 6.198 -0.820 1.00 0.26 O ATOM 605 CB LYS A 66 -0.030 7.171 2.096 1.00 0.40 C ATOM 606 CG LYS A 66 -0.317 7.246 3.603 1.00 0.85 C ATOM 607 CD LYS A 66 0.546 8.246 4.375 1.00 1.39 C ATOM 608 CE LYS A 66 0.099 8.233 5.844 1.00 1.97 C ATOM 609 NZ LYS A 66 1.112 8.832 6.739 1.00 2.76 N ATOM 0 H LYS A 66 1.216 4.830 1.141 1.00 0.35 H new ATOM 0 HA LYS A 66 -1.521 5.641 1.978 1.00 0.28 H new ATOM 0 HB2 LYS A 66 1.045 7.235 1.925 1.00 0.40 H new ATOM 0 HB3 LYS A 66 -0.485 8.025 1.594 1.00 0.40 H new ATOM 0 HG2 LYS A 66 -1.366 7.507 3.746 1.00 0.85 H new ATOM 0 HG3 LYS A 66 -0.174 6.256 4.035 1.00 0.85 H new ATOM 0 HD2 LYS A 66 1.600 7.979 4.296 1.00 1.39 H new ATOM 0 HD3 LYS A 66 0.438 9.246 3.954 1.00 1.39 H new ATOM 0 HE2 LYS A 66 -0.839 8.779 5.942 1.00 1.97 H new ATOM 0 HE3 LYS A 66 -0.096 7.206 6.154 1.00 1.97 H new ATOM 0 HZ1 LYS A 66 0.711 8.942 7.692 1.00 2.76 H new ATOM 0 HZ2 LYS A 66 1.946 8.212 6.783 1.00 2.76 H new ATOM 0 HZ3 LYS A 66 1.392 9.764 6.372 1.00 2.76 H new ATOM 623 N ILE A 67 -2.198 5.781 -0.328 1.00 0.19 N ATOM 624 CA ILE A 67 -2.766 5.802 -1.678 1.00 0.19 C ATOM 625 C ILE A 67 -3.980 6.754 -1.715 1.00 0.20 C ATOM 626 O ILE A 67 -4.604 7.001 -0.685 1.00 0.23 O ATOM 627 CB ILE A 67 -3.130 4.383 -2.177 1.00 0.22 C ATOM 628 CG1 ILE A 67 -2.064 3.352 -1.739 1.00 0.21 C ATOM 629 CG2 ILE A 67 -3.330 4.392 -3.702 1.00 0.25 C ATOM 630 CD1 ILE A 67 -1.901 2.104 -2.603 1.00 0.24 C ATOM 0 H ILE A 67 -2.906 5.596 0.382 1.00 0.19 H new ATOM 0 HA ILE A 67 -2.008 6.178 -2.365 1.00 0.19 H new ATOM 0 HB ILE A 67 -4.072 4.080 -1.720 1.00 0.22 H new ATOM 0 HG12 ILE A 67 -1.101 3.860 -1.695 1.00 0.21 H new ATOM 0 HG13 ILE A 67 -2.301 3.031 -0.725 1.00 0.21 H new ATOM 0 HG21 ILE A 67 -3.586 3.388 -4.041 1.00 0.25 H new ATOM 0 HG22 ILE A 67 -4.137 5.078 -3.959 1.00 0.25 H new ATOM 0 HG23 ILE A 67 -2.410 4.716 -4.188 1.00 0.25 H new ATOM 0 HD11 ILE A 67 -1.122 1.469 -2.182 1.00 0.24 H new ATOM 0 HD12 ILE A 67 -2.842 1.554 -2.630 1.00 0.24 H new ATOM 0 HD13 ILE A 67 -1.623 2.396 -3.616 1.00 0.24 H new ATOM 642 N GLU A 68 -4.365 7.277 -2.876 1.00 0.20 N ATOM 643 CA GLU A 68 -5.610 8.041 -3.092 1.00 0.21 C ATOM 644 C GLU A 68 -5.984 7.987 -4.574 1.00 0.31 C ATOM 645 O GLU A 68 -5.128 8.266 -5.400 1.00 0.39 O ATOM 646 CB GLU A 68 -5.343 9.481 -2.657 1.00 0.24 C ATOM 647 CG GLU A 68 -6.504 10.485 -2.811 1.00 0.39 C ATOM 648 CD GLU A 68 -6.283 11.785 -2.011 1.00 0.58 C ATOM 649 OE1 GLU A 68 -5.813 12.801 -2.578 1.00 1.42 O ATOM 650 OE2 GLU A 68 -6.598 11.808 -0.794 1.00 1.84 O ATOM 0 H GLU A 68 -3.808 7.183 -3.725 1.00 0.20 H new ATOM 0 HA GLU A 68 -6.437 7.624 -2.517 1.00 0.21 H new ATOM 0 HB2 GLU A 68 -5.043 9.468 -1.609 1.00 0.24 H new ATOM 0 HB3 GLU A 68 -4.493 9.855 -3.228 1.00 0.24 H new ATOM 0 HG2 GLU A 68 -6.628 10.730 -3.866 1.00 0.39 H new ATOM 0 HG3 GLU A 68 -7.431 10.015 -2.482 1.00 0.39 H new ATOM 657 N SER A 69 -7.201 7.589 -4.954 1.00 0.34 N ATOM 658 CA SER A 69 -7.536 7.313 -6.366 1.00 0.40 C ATOM 659 C SER A 69 -9.027 7.349 -6.634 1.00 0.41 C ATOM 660 O SER A 69 -9.816 6.915 -5.800 1.00 0.41 O ATOM 661 CB SER A 69 -7.035 5.914 -6.743 1.00 0.39 C ATOM 662 OG SER A 69 -7.130 5.676 -8.134 1.00 0.42 O ATOM 0 H SER A 69 -7.977 7.449 -4.307 1.00 0.34 H new ATOM 0 HA SER A 69 -7.058 8.093 -6.958 1.00 0.40 H new ATOM 0 HB2 SER A 69 -5.998 5.802 -6.426 1.00 0.39 H new ATOM 0 HB3 SER A 69 -7.615 5.164 -6.206 1.00 0.39 H new ATOM 0 HG SER A 69 -7.440 4.759 -8.289 1.00 0.42 H new ATOM 668 N GLU A 70 -9.406 7.838 -7.816 1.00 0.47 N ATOM 669 CA GLU A 70 -10.801 8.010 -8.247 1.00 0.53 C ATOM 670 C GLU A 70 -11.612 6.703 -8.160 1.00 0.58 C ATOM 671 O GLU A 70 -12.805 6.726 -7.871 1.00 0.80 O ATOM 672 CB GLU A 70 -10.817 8.585 -9.677 1.00 0.65 C ATOM 673 CG GLU A 70 -11.840 9.703 -9.869 1.00 1.96 C ATOM 674 CD GLU A 70 -13.286 9.219 -10.054 1.00 3.28 C ATOM 675 OE1 GLU A 70 -13.541 8.268 -10.833 1.00 3.39 O ATOM 676 OE2 GLU A 70 -14.216 9.828 -9.475 1.00 4.87 O ATOM 0 H GLU A 70 -8.734 8.135 -8.523 1.00 0.47 H new ATOM 0 HA GLU A 70 -11.287 8.708 -7.565 1.00 0.53 H new ATOM 0 HB2 GLU A 70 -9.825 8.965 -9.919 1.00 0.65 H new ATOM 0 HB3 GLU A 70 -11.031 7.781 -10.382 1.00 0.65 H new ATOM 0 HG2 GLU A 70 -11.800 10.367 -9.005 1.00 1.96 H new ATOM 0 HG3 GLU A 70 -11.554 10.294 -10.739 1.00 1.96 H new ATOM 683 N GLU A 71 -10.944 5.557 -8.326 1.00 0.49 N ATOM 684 CA GLU A 71 -11.531 4.214 -8.240 1.00 0.47 C ATOM 685 C GLU A 71 -12.035 3.808 -6.843 1.00 0.42 C ATOM 686 O GLU A 71 -12.837 2.881 -6.720 1.00 0.49 O ATOM 687 CB GLU A 71 -10.511 3.195 -8.772 1.00 0.49 C ATOM 688 CG GLU A 71 -9.419 2.846 -7.750 1.00 0.40 C ATOM 689 CD GLU A 71 -8.142 2.373 -8.464 1.00 0.43 C ATOM 690 OE1 GLU A 71 -8.131 1.238 -9.006 1.00 1.56 O ATOM 691 OE2 GLU A 71 -7.155 3.144 -8.525 1.00 1.75 O ATOM 0 H GLU A 71 -9.945 5.537 -8.531 1.00 0.49 H new ATOM 0 HA GLU A 71 -12.431 4.229 -8.855 1.00 0.47 H new ATOM 0 HB2 GLU A 71 -11.034 2.284 -9.061 1.00 0.49 H new ATOM 0 HB3 GLU A 71 -10.044 3.594 -9.672 1.00 0.49 H new ATOM 0 HG2 GLU A 71 -9.197 3.718 -7.135 1.00 0.40 H new ATOM 0 HG3 GLU A 71 -9.777 2.066 -7.079 1.00 0.40 H new ATOM 698 N PHE A 72 -11.583 4.469 -5.773 1.00 0.35 N ATOM 699 CA PHE A 72 -11.871 4.050 -4.396 1.00 0.33 C ATOM 700 C PHE A 72 -13.243 4.518 -3.869 1.00 0.38 C ATOM 701 O PHE A 72 -13.641 4.143 -2.766 1.00 0.41 O ATOM 702 CB PHE A 72 -10.706 4.497 -3.503 1.00 0.30 C ATOM 703 CG PHE A 72 -9.473 3.608 -3.491 1.00 0.25 C ATOM 704 CD1 PHE A 72 -9.576 2.209 -3.335 1.00 1.88 C ATOM 705 CD2 PHE A 72 -8.200 4.201 -3.569 1.00 2.00 C ATOM 706 CE1 PHE A 72 -8.419 1.413 -3.268 1.00 1.88 C ATOM 707 CE2 PHE A 72 -7.044 3.407 -3.518 1.00 2.01 C ATOM 708 CZ PHE A 72 -7.154 2.014 -3.371 1.00 0.24 C ATOM 0 H PHE A 72 -11.008 5.309 -5.836 1.00 0.35 H new ATOM 0 HA PHE A 72 -11.952 2.963 -4.378 1.00 0.33 H new ATOM 0 HB2 PHE A 72 -10.402 5.496 -3.816 1.00 0.30 H new ATOM 0 HB3 PHE A 72 -11.074 4.581 -2.481 1.00 0.30 H new ATOM 0 HD1 PHE A 72 -10.550 1.747 -3.267 1.00 1.88 H new ATOM 0 HD2 PHE A 72 -8.112 5.273 -3.669 1.00 2.00 H new ATOM 0 HE1 PHE A 72 -8.503 0.344 -3.138 1.00 1.88 H new ATOM 0 HE2 PHE A 72 -6.070 3.867 -3.592 1.00 2.01 H new ATOM 0 HZ PHE A 72 -6.263 1.404 -3.337 1.00 0.24 H new ATOM 718 N LYS A 73 -13.993 5.286 -4.668 1.00 0.57 N ATOM 719 CA LYS A 73 -15.295 5.895 -4.310 1.00 0.59 C ATOM 720 C LYS A 73 -16.422 4.893 -4.098 1.00 0.54 C ATOM 721 O LYS A 73 -17.403 5.185 -3.415 1.00 0.76 O ATOM 722 CB LYS A 73 -15.725 6.891 -5.401 1.00 0.67 C ATOM 723 CG LYS A 73 -15.843 6.247 -6.791 1.00 0.71 C ATOM 724 CD LYS A 73 -16.088 7.330 -7.832 1.00 1.40 C ATOM 725 CE LYS A 73 -16.039 6.740 -9.238 1.00 1.46 C ATOM 726 NZ LYS A 73 -16.264 7.783 -10.260 1.00 2.77 N ATOM 0 H LYS A 73 -13.705 5.514 -5.620 1.00 0.57 H new ATOM 0 HA LYS A 73 -15.129 6.392 -3.354 1.00 0.59 H new ATOM 0 HB2 LYS A 73 -16.685 7.329 -5.127 1.00 0.67 H new ATOM 0 HB3 LYS A 73 -15.003 7.707 -5.445 1.00 0.67 H new ATOM 0 HG2 LYS A 73 -14.931 5.699 -7.028 1.00 0.71 H new ATOM 0 HG3 LYS A 73 -16.660 5.526 -6.801 1.00 0.71 H new ATOM 0 HD2 LYS A 73 -17.059 7.795 -7.660 1.00 1.40 H new ATOM 0 HD3 LYS A 73 -15.337 8.114 -7.734 1.00 1.40 H new ATOM 0 HE2 LYS A 73 -15.071 6.267 -9.404 1.00 1.46 H new ATOM 0 HE3 LYS A 73 -16.795 5.961 -9.336 1.00 1.46 H new ATOM 0 HZ1 LYS A 73 -16.985 7.458 -10.935 1.00 2.77 H new ATOM 0 HZ2 LYS A 73 -16.590 8.656 -9.799 1.00 2.77 H new ATOM 0 HZ3 LYS A 73 -15.375 7.970 -10.766 1.00 2.77 H new ATOM 740 N GLU A 74 -16.291 3.736 -4.734 1.00 0.60 N ATOM 741 CA GLU A 74 -17.322 2.708 -4.868 1.00 0.73 C ATOM 742 C GLU A 74 -16.991 1.465 -4.019 1.00 0.77 C ATOM 743 O GLU A 74 -17.390 0.352 -4.349 1.00 1.33 O ATOM 744 CB GLU A 74 -17.576 2.466 -6.372 1.00 1.08 C ATOM 745 CG GLU A 74 -16.398 1.798 -7.098 1.00 2.75 C ATOM 746 CD GLU A 74 -16.477 1.958 -8.619 1.00 3.35 C ATOM 747 OE1 GLU A 74 -17.492 1.566 -9.241 1.00 3.38 O ATOM 748 OE2 GLU A 74 -15.516 2.470 -9.243 1.00 4.56 O ATOM 0 H GLU A 74 -15.420 3.473 -5.195 1.00 0.60 H new ATOM 0 HA GLU A 74 -18.274 3.036 -4.450 1.00 0.73 H new ATOM 0 HB2 GLU A 74 -18.462 1.842 -6.486 1.00 1.08 H new ATOM 0 HB3 GLU A 74 -17.794 3.420 -6.853 1.00 1.08 H new ATOM 0 HG2 GLU A 74 -15.463 2.229 -6.739 1.00 2.75 H new ATOM 0 HG3 GLU A 74 -16.377 0.737 -6.849 1.00 2.75 H new ATOM 755 N LYS A 75 -16.226 1.657 -2.934 1.00 0.43 N ATOM 756 CA LYS A 75 -15.665 0.614 -2.063 1.00 0.48 C ATOM 757 C LYS A 75 -15.917 0.925 -0.594 1.00 0.61 C ATOM 758 O LYS A 75 -15.714 2.067 -0.171 1.00 0.67 O ATOM 759 CB LYS A 75 -14.143 0.524 -2.279 1.00 0.39 C ATOM 760 CG LYS A 75 -13.696 0.240 -3.713 1.00 0.39 C ATOM 761 CD LYS A 75 -14.040 -1.173 -4.194 1.00 0.63 C ATOM 762 CE LYS A 75 -14.276 -1.089 -5.703 1.00 0.88 C ATOM 763 NZ LYS A 75 -14.578 -2.403 -6.314 1.00 1.40 N ATOM 0 H LYS A 75 -15.968 2.594 -2.624 1.00 0.43 H new ATOM 0 HA LYS A 75 -16.151 -0.328 -2.319 1.00 0.48 H new ATOM 0 HB2 LYS A 75 -13.692 1.462 -1.956 1.00 0.39 H new ATOM 0 HB3 LYS A 75 -13.748 -0.259 -1.632 1.00 0.39 H new ATOM 0 HG2 LYS A 75 -14.162 0.965 -4.380 1.00 0.39 H new ATOM 0 HG3 LYS A 75 -12.618 0.387 -3.785 1.00 0.39 H new ATOM 0 HD2 LYS A 75 -13.228 -1.865 -3.969 1.00 0.63 H new ATOM 0 HD3 LYS A 75 -14.928 -1.548 -3.685 1.00 0.63 H new ATOM 0 HE2 LYS A 75 -15.102 -0.405 -5.899 1.00 0.88 H new ATOM 0 HE3 LYS A 75 -13.392 -0.667 -6.181 1.00 0.88 H new ATOM 0 HZ1 LYS A 75 -14.728 -2.284 -7.336 1.00 1.40 H new ATOM 0 HZ2 LYS A 75 -13.781 -3.052 -6.154 1.00 1.40 H new ATOM 0 HZ3 LYS A 75 -15.437 -2.798 -5.881 1.00 1.40 H new ATOM 777 N ARG A 76 -16.220 -0.097 0.215 1.00 0.72 N ATOM 778 CA ARG A 76 -16.179 0.006 1.660 1.00 0.80 C ATOM 779 C ARG A 76 -14.757 0.270 2.147 1.00 0.67 C ATOM 780 O ARG A 76 -13.813 -0.042 1.425 1.00 0.50 O ATOM 781 CB ARG A 76 -16.668 -1.288 2.291 1.00 0.89 C ATOM 782 CG ARG A 76 -17.874 -2.015 1.674 1.00 1.15 C ATOM 783 CD ARG A 76 -18.408 -2.948 2.757 1.00 1.96 C ATOM 784 NE ARG A 76 -19.320 -3.996 2.266 1.00 2.67 N ATOM 785 CZ ARG A 76 -19.659 -5.062 2.972 1.00 3.81 C ATOM 786 NH1 ARG A 76 -19.241 -5.244 4.191 1.00 4.63 N ATOM 787 NH2 ARG A 76 -20.438 -5.980 2.486 1.00 4.49 N ATOM 0 H ARG A 76 -16.500 -1.017 -0.125 1.00 0.72 H new ATOM 0 HA ARG A 76 -16.823 0.836 1.951 1.00 0.80 H new ATOM 0 HB2 ARG A 76 -15.831 -1.987 2.296 1.00 0.89 H new ATOM 0 HB3 ARG A 76 -16.911 -1.074 3.332 1.00 0.89 H new ATOM 0 HG2 ARG A 76 -18.639 -1.304 1.361 1.00 1.15 H new ATOM 0 HG3 ARG A 76 -17.578 -2.576 0.788 1.00 1.15 H new ATOM 0 HD2 ARG A 76 -17.564 -3.424 3.257 1.00 1.96 H new ATOM 0 HD3 ARG A 76 -18.929 -2.353 3.507 1.00 1.96 H new ATOM 0 HE ARG A 76 -19.712 -3.894 1.330 1.00 2.67 H new ATOM 0 HH11 ARG A 76 -18.633 -4.553 4.630 1.00 4.63 H new ATOM 0 HH12 ARG A 76 -19.522 -6.078 4.707 1.00 4.63 H new ATOM 0 HH21 ARG A 76 -20.804 -5.889 1.538 1.00 4.49 H new ATOM 0 HH22 ARG A 76 -20.684 -6.792 3.052 1.00 4.49 H new ATOM 801 N THR A 77 -14.581 0.681 3.397 1.00 0.75 N ATOM 802 CA THR A 77 -13.254 0.767 4.044 1.00 0.68 C ATOM 803 C THR A 77 -12.412 -0.497 3.860 1.00 0.56 C ATOM 804 O THR A 77 -11.311 -0.453 3.313 1.00 0.46 O ATOM 805 CB THR A 77 -13.438 1.025 5.538 1.00 0.80 C ATOM 806 OG1 THR A 77 -14.200 2.195 5.721 1.00 1.00 O ATOM 807 CG2 THR A 77 -12.115 1.204 6.287 1.00 0.74 C ATOM 0 H THR A 77 -15.350 0.968 4.002 1.00 0.75 H new ATOM 0 HA THR A 77 -12.719 1.586 3.563 1.00 0.68 H new ATOM 0 HB THR A 77 -13.939 0.146 5.943 1.00 0.80 H new ATOM 0 HG1 THR A 77 -14.320 2.361 6.679 1.00 1.00 H new ATOM 0 HG21 THR A 77 -12.316 1.384 7.343 1.00 0.74 H new ATOM 0 HG22 THR A 77 -11.512 0.302 6.181 1.00 0.74 H new ATOM 0 HG23 THR A 77 -11.573 2.054 5.871 1.00 0.74 H new ATOM 815 N VAL A 78 -12.976 -1.643 4.242 1.00 0.58 N ATOM 816 CA VAL A 78 -12.364 -2.969 4.083 1.00 0.52 C ATOM 817 C VAL A 78 -12.081 -3.319 2.616 1.00 0.45 C ATOM 818 O VAL A 78 -11.002 -3.821 2.311 1.00 0.37 O ATOM 819 CB VAL A 78 -13.237 -4.018 4.793 1.00 0.60 C ATOM 820 CG1 VAL A 78 -14.674 -4.050 4.261 1.00 0.65 C ATOM 821 CG2 VAL A 78 -12.618 -5.417 4.757 1.00 0.62 C ATOM 0 H VAL A 78 -13.895 -1.679 4.682 1.00 0.58 H new ATOM 0 HA VAL A 78 -11.383 -2.960 4.557 1.00 0.52 H new ATOM 0 HB VAL A 78 -13.280 -3.701 5.835 1.00 0.60 H new ATOM 0 HG11 VAL A 78 -15.244 -4.808 4.798 1.00 0.65 H new ATOM 0 HG12 VAL A 78 -15.138 -3.075 4.408 1.00 0.65 H new ATOM 0 HG13 VAL A 78 -14.663 -4.290 3.198 1.00 0.65 H new ATOM 0 HG21 VAL A 78 -13.274 -6.119 5.272 1.00 0.62 H new ATOM 0 HG22 VAL A 78 -12.491 -5.732 3.721 1.00 0.62 H new ATOM 0 HG23 VAL A 78 -11.647 -5.398 5.252 1.00 0.62 H new ATOM 831 N GLN A 79 -12.982 -2.968 1.689 1.00 0.49 N ATOM 832 CA GLN A 79 -12.755 -3.191 0.251 1.00 0.44 C ATOM 833 C GLN A 79 -11.662 -2.279 -0.329 1.00 0.35 C ATOM 834 O GLN A 79 -10.886 -2.736 -1.166 1.00 0.51 O ATOM 835 CB GLN A 79 -14.053 -3.101 -0.572 1.00 0.55 C ATOM 836 CG GLN A 79 -15.048 -4.218 -0.231 1.00 0.83 C ATOM 837 CD GLN A 79 -15.749 -4.802 -1.458 1.00 1.03 C ATOM 838 OE1 GLN A 79 -15.310 -5.787 -2.045 1.00 1.33 O ATOM 839 NE2 GLN A 79 -16.828 -4.215 -1.920 1.00 1.05 N ATOM 0 H GLN A 79 -13.876 -2.528 1.907 1.00 0.49 H new ATOM 0 HA GLN A 79 -12.390 -4.215 0.169 1.00 0.44 H new ATOM 0 HB2 GLN A 79 -14.524 -2.134 -0.396 1.00 0.55 H new ATOM 0 HB3 GLN A 79 -13.810 -3.148 -1.633 1.00 0.55 H new ATOM 0 HG2 GLN A 79 -14.521 -5.016 0.292 1.00 0.83 H new ATOM 0 HG3 GLN A 79 -15.799 -3.828 0.456 1.00 0.83 H new ATOM 0 HE21 GLN A 79 -17.206 -3.396 -1.445 1.00 1.05 H new ATOM 0 HE22 GLN A 79 -17.289 -4.578 -2.755 1.00 1.05 H new ATOM 848 N GLN A 80 -11.533 -1.026 0.133 1.00 0.27 N ATOM 849 CA GLN A 80 -10.396 -0.171 -0.222 1.00 0.22 C ATOM 850 C GLN A 80 -9.089 -0.816 0.254 1.00 0.20 C ATOM 851 O GLN A 80 -8.196 -1.024 -0.564 1.00 0.22 O ATOM 852 CB GLN A 80 -10.516 1.249 0.361 1.00 0.29 C ATOM 853 CG GLN A 80 -11.650 2.110 -0.217 1.00 0.31 C ATOM 854 CD GLN A 80 -11.629 3.548 0.315 1.00 0.34 C ATOM 855 OE1 GLN A 80 -10.774 3.952 1.098 1.00 0.30 O ATOM 856 NE2 GLN A 80 -12.543 4.393 -0.099 1.00 0.62 N ATOM 0 H GLN A 80 -12.208 -0.583 0.757 1.00 0.27 H new ATOM 0 HA GLN A 80 -10.395 -0.076 -1.308 1.00 0.22 H new ATOM 0 HB2 GLN A 80 -10.658 1.169 1.439 1.00 0.29 H new ATOM 0 HB3 GLN A 80 -9.571 1.769 0.201 1.00 0.29 H new ATOM 0 HG2 GLN A 80 -11.570 2.128 -1.304 1.00 0.31 H new ATOM 0 HG3 GLN A 80 -12.609 1.651 0.025 1.00 0.31 H new ATOM 0 HE21 GLN A 80 -13.265 4.085 -0.750 1.00 0.62 H new ATOM 0 HE22 GLN A 80 -12.531 5.358 0.230 1.00 0.62 H new ATOM 865 N HIS A 81 -8.997 -1.197 1.537 1.00 0.25 N ATOM 866 CA HIS A 81 -7.825 -1.884 2.091 1.00 0.29 C ATOM 867 C HIS A 81 -7.480 -3.154 1.298 1.00 0.26 C ATOM 868 O HIS A 81 -6.345 -3.277 0.837 1.00 0.27 O ATOM 869 CB HIS A 81 -8.045 -2.193 3.585 1.00 0.34 C ATOM 870 CG HIS A 81 -8.069 -0.984 4.494 1.00 0.38 C ATOM 871 ND1 HIS A 81 -8.809 -0.848 5.648 1.00 0.44 N ATOM 872 CD2 HIS A 81 -7.307 0.148 4.382 1.00 0.41 C ATOM 873 CE1 HIS A 81 -8.511 0.338 6.205 1.00 0.49 C ATOM 874 NE2 HIS A 81 -7.594 0.986 5.465 1.00 0.47 N ATOM 0 H HIS A 81 -9.737 -1.036 2.220 1.00 0.25 H new ATOM 0 HA HIS A 81 -6.968 -1.216 2.001 1.00 0.29 H new ATOM 0 HB2 HIS A 81 -8.988 -2.729 3.694 1.00 0.34 H new ATOM 0 HB3 HIS A 81 -7.256 -2.865 3.921 1.00 0.34 H new ATOM 0 HD2 HIS A 81 -6.603 0.359 3.591 1.00 0.41 H new ATOM 0 HE1 HIS A 81 -8.946 0.717 7.118 1.00 0.49 H new ATOM 0 HE2 HIS A 81 -7.190 1.903 5.655 1.00 0.47 H new ATOM 882 N GLN A 82 -8.440 -4.054 1.066 1.00 0.27 N ATOM 883 CA GLN A 82 -8.288 -5.298 0.302 1.00 0.29 C ATOM 884 C GLN A 82 -7.595 -5.093 -1.057 1.00 0.29 C ATOM 885 O GLN A 82 -6.676 -5.848 -1.375 1.00 0.33 O ATOM 886 CB GLN A 82 -9.676 -5.946 0.156 1.00 0.34 C ATOM 887 CG GLN A 82 -9.800 -7.068 -0.886 1.00 0.44 C ATOM 888 CD GLN A 82 -8.857 -8.257 -0.707 1.00 0.81 C ATOM 889 OE1 GLN A 82 -8.548 -8.697 0.399 1.00 1.24 O ATOM 890 NE2 GLN A 82 -8.402 -8.837 -1.795 1.00 1.01 N ATOM 0 H GLN A 82 -9.388 -3.931 1.421 1.00 0.27 H new ATOM 0 HA GLN A 82 -7.624 -5.967 0.849 1.00 0.29 H new ATOM 0 HB2 GLN A 82 -9.970 -6.347 1.126 1.00 0.34 H new ATOM 0 HB3 GLN A 82 -10.393 -5.165 -0.096 1.00 0.34 H new ATOM 0 HG2 GLN A 82 -10.825 -7.438 -0.872 1.00 0.44 H new ATOM 0 HG3 GLN A 82 -9.629 -6.640 -1.874 1.00 0.44 H new ATOM 0 HE21 GLN A 82 -8.658 -8.472 -2.713 1.00 1.01 H new ATOM 0 HE22 GLN A 82 -7.793 -9.652 -1.722 1.00 1.01 H new ATOM 899 N MET A 83 -7.950 -4.058 -1.833 1.00 0.30 N ATOM 900 CA MET A 83 -7.305 -3.826 -3.139 1.00 0.30 C ATOM 901 C MET A 83 -5.804 -3.523 -2.991 1.00 0.31 C ATOM 902 O MET A 83 -4.988 -4.016 -3.770 1.00 0.36 O ATOM 903 CB MET A 83 -7.980 -2.686 -3.932 1.00 0.33 C ATOM 904 CG MET A 83 -9.517 -2.696 -3.941 1.00 0.35 C ATOM 905 SD MET A 83 -10.332 -2.354 -5.529 1.00 1.13 S ATOM 906 CE MET A 83 -9.786 -0.661 -5.870 1.00 0.56 C ATOM 0 H MET A 83 -8.668 -3.377 -1.587 1.00 0.30 H new ATOM 0 HA MET A 83 -7.426 -4.754 -3.697 1.00 0.30 H new ATOM 0 HB2 MET A 83 -7.644 -1.734 -3.520 1.00 0.33 H new ATOM 0 HB3 MET A 83 -7.629 -2.729 -4.963 1.00 0.33 H new ATOM 0 HG2 MET A 83 -9.852 -3.672 -3.591 1.00 0.35 H new ATOM 0 HG3 MET A 83 -9.865 -1.961 -3.216 1.00 0.35 H new ATOM 0 HE1 MET A 83 -10.108 -0.369 -6.870 1.00 0.56 H new ATOM 0 HE2 MET A 83 -10.222 0.017 -5.136 1.00 0.56 H new ATOM 0 HE3 MET A 83 -8.699 -0.610 -5.810 1.00 0.56 H new ATOM 916 N VAL A 84 -5.432 -2.733 -1.978 1.00 0.27 N ATOM 917 CA VAL A 84 -4.035 -2.361 -1.675 1.00 0.28 C ATOM 918 C VAL A 84 -3.278 -3.530 -1.034 1.00 0.31 C ATOM 919 O VAL A 84 -2.086 -3.678 -1.263 1.00 0.37 O ATOM 920 CB VAL A 84 -3.975 -1.139 -0.735 1.00 0.25 C ATOM 921 CG1 VAL A 84 -2.592 -0.485 -0.692 1.00 0.25 C ATOM 922 CG2 VAL A 84 -4.949 -0.031 -1.114 1.00 0.25 C ATOM 0 H VAL A 84 -6.104 -2.323 -1.329 1.00 0.27 H new ATOM 0 HA VAL A 84 -3.559 -2.105 -2.622 1.00 0.28 H new ATOM 0 HB VAL A 84 -4.238 -1.563 0.234 1.00 0.25 H new ATOM 0 HG11 VAL A 84 -2.614 0.368 -0.014 1.00 0.25 H new ATOM 0 HG12 VAL A 84 -1.858 -1.210 -0.340 1.00 0.25 H new ATOM 0 HG13 VAL A 84 -2.318 -0.147 -1.691 1.00 0.25 H new ATOM 0 HG21 VAL A 84 -4.852 0.796 -0.410 1.00 0.25 H new ATOM 0 HG22 VAL A 84 -4.725 0.322 -2.121 1.00 0.25 H new ATOM 0 HG23 VAL A 84 -5.968 -0.416 -1.083 1.00 0.25 H new ATOM 932 N ASN A 85 -3.969 -4.388 -0.276 1.00 0.28 N ATOM 933 CA ASN A 85 -3.429 -5.598 0.351 1.00 0.27 C ATOM 934 C ASN A 85 -3.035 -6.636 -0.718 1.00 0.27 C ATOM 935 O ASN A 85 -1.894 -7.083 -0.766 1.00 0.30 O ATOM 936 CB ASN A 85 -4.483 -6.177 1.323 1.00 0.27 C ATOM 937 CG ASN A 85 -4.459 -5.623 2.734 1.00 0.32 C ATOM 938 OD1 ASN A 85 -4.137 -6.294 3.707 1.00 0.45 O ATOM 939 ND2 ASN A 85 -4.869 -4.394 2.885 1.00 0.29 N ATOM 0 H ASN A 85 -4.960 -4.252 -0.075 1.00 0.28 H new ATOM 0 HA ASN A 85 -2.528 -5.346 0.910 1.00 0.27 H new ATOM 0 HB2 ASN A 85 -5.473 -6.001 0.901 1.00 0.27 H new ATOM 0 HB3 ASN A 85 -4.346 -7.257 1.375 1.00 0.27 H new ATOM 0 HD21 ASN A 85 -4.923 -3.985 3.818 1.00 0.29 H new ATOM 0 HD22 ASN A 85 -5.135 -3.841 2.070 1.00 0.29 H new ATOM 946 N GLN A 86 -3.932 -6.995 -1.640 1.00 0.28 N ATOM 947 CA GLN A 86 -3.695 -8.000 -2.661 1.00 0.29 C ATOM 948 C GLN A 86 -2.583 -7.609 -3.647 1.00 0.29 C ATOM 949 O GLN A 86 -1.927 -8.487 -4.201 1.00 0.35 O ATOM 950 CB GLN A 86 -5.051 -8.100 -3.354 1.00 0.36 C ATOM 951 CG GLN A 86 -5.253 -9.363 -4.170 1.00 0.99 C ATOM 952 CD GLN A 86 -5.529 -10.654 -3.386 1.00 1.26 C ATOM 953 OE1 GLN A 86 -6.246 -10.684 -2.392 1.00 2.63 O ATOM 954 NE2 GLN A 86 -5.016 -11.789 -3.807 1.00 1.71 N ATOM 0 H GLN A 86 -4.863 -6.581 -1.692 1.00 0.28 H new ATOM 0 HA GLN A 86 -3.344 -8.943 -2.241 1.00 0.29 H new ATOM 0 HB2 GLN A 86 -5.835 -8.042 -2.599 1.00 0.36 H new ATOM 0 HB3 GLN A 86 -5.174 -7.237 -4.008 1.00 0.36 H new ATOM 0 HG2 GLN A 86 -6.085 -9.196 -4.855 1.00 0.99 H new ATOM 0 HG3 GLN A 86 -4.364 -9.519 -4.781 1.00 0.99 H new ATOM 0 HE21 GLN A 86 -4.415 -11.802 -4.631 1.00 1.71 H new ATOM 0 HE22 GLN A 86 -5.219 -12.656 -3.310 1.00 1.71 H new ATOM 963 N ALA A 87 -2.319 -6.306 -3.795 1.00 0.31 N ATOM 964 CA ALA A 87 -1.257 -5.757 -4.641 1.00 0.28 C ATOM 965 C ALA A 87 0.107 -6.372 -4.292 1.00 0.30 C ATOM 966 O ALA A 87 0.832 -6.818 -5.185 1.00 0.49 O ATOM 967 CB ALA A 87 -1.234 -4.231 -4.484 1.00 0.29 C ATOM 0 H ALA A 87 -2.855 -5.584 -3.314 1.00 0.31 H new ATOM 0 HA ALA A 87 -1.461 -6.009 -5.682 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -0.446 -3.813 -5.110 1.00 0.29 H new ATOM 0 HB2 ALA A 87 -2.196 -3.819 -4.788 1.00 0.29 H new ATOM 0 HB3 ALA A 87 -1.043 -3.975 -3.442 1.00 0.29 H new ATOM 973 N LEU A 88 0.423 -6.458 -2.992 1.00 0.23 N ATOM 974 CA LEU A 88 1.721 -6.920 -2.485 1.00 0.27 C ATOM 975 C LEU A 88 1.661 -8.160 -1.586 1.00 0.32 C ATOM 976 O LEU A 88 2.705 -8.620 -1.122 1.00 0.48 O ATOM 977 CB LEU A 88 2.494 -5.745 -1.869 1.00 0.35 C ATOM 978 CG LEU A 88 2.156 -5.249 -0.443 1.00 0.40 C ATOM 979 CD1 LEU A 88 0.669 -5.103 -0.150 1.00 0.41 C ATOM 980 CD2 LEU A 88 2.797 -6.098 0.648 1.00 0.44 C ATOM 0 H LEU A 88 -0.229 -6.203 -2.250 1.00 0.23 H new ATOM 0 HA LEU A 88 2.283 -7.283 -3.345 1.00 0.27 H new ATOM 0 HB2 LEU A 88 3.550 -6.015 -1.875 1.00 0.35 H new ATOM 0 HB3 LEU A 88 2.379 -4.895 -2.542 1.00 0.35 H new ATOM 0 HG LEU A 88 2.588 -4.248 -0.426 1.00 0.40 H new ATOM 0 HD11 LEU A 88 0.532 -4.751 0.872 1.00 0.41 H new ATOM 0 HD12 LEU A 88 0.230 -4.385 -0.843 1.00 0.41 H new ATOM 0 HD13 LEU A 88 0.178 -6.069 -0.270 1.00 0.41 H new ATOM 0 HD21 LEU A 88 2.524 -5.701 1.626 1.00 0.44 H new ATOM 0 HD22 LEU A 88 2.445 -7.126 0.563 1.00 0.44 H new ATOM 0 HD23 LEU A 88 3.881 -6.075 0.537 1.00 0.44 H new ATOM 992 N LYS A 89 0.467 -8.725 -1.366 1.00 0.29 N ATOM 993 CA LYS A 89 0.224 -9.871 -0.488 1.00 0.44 C ATOM 994 C LYS A 89 1.154 -11.033 -0.793 1.00 0.60 C ATOM 995 O LYS A 89 1.573 -11.747 0.114 1.00 0.79 O ATOM 996 CB LYS A 89 -1.248 -10.318 -0.622 1.00 0.39 C ATOM 997 CG LYS A 89 -1.476 -11.668 0.083 1.00 0.55 C ATOM 998 CD LYS A 89 -2.915 -11.980 0.514 1.00 0.68 C ATOM 999 CE LYS A 89 -3.780 -12.418 -0.669 1.00 1.93 C ATOM 1000 NZ LYS A 89 -5.100 -12.908 -0.214 1.00 2.19 N ATOM 0 H LYS A 89 -0.385 -8.383 -1.811 1.00 0.29 H new ATOM 0 HA LYS A 89 0.426 -9.558 0.536 1.00 0.44 H new ATOM 0 HB2 LYS A 89 -1.903 -9.562 -0.190 1.00 0.39 H new ATOM 0 HB3 LYS A 89 -1.512 -10.404 -1.676 1.00 0.39 H new ATOM 0 HG2 LYS A 89 -1.140 -12.462 -0.583 1.00 0.55 H new ATOM 0 HG3 LYS A 89 -0.840 -11.703 0.967 1.00 0.55 H new ATOM 0 HD2 LYS A 89 -2.906 -12.767 1.269 1.00 0.68 H new ATOM 0 HD3 LYS A 89 -3.355 -11.097 0.979 1.00 0.68 H new ATOM 0 HE2 LYS A 89 -3.916 -11.580 -1.353 1.00 1.93 H new ATOM 0 HE3 LYS A 89 -3.269 -13.204 -1.225 1.00 1.93 H new ATOM 0 HZ1 LYS A 89 -5.665 -13.198 -1.037 1.00 2.19 H new ATOM 0 HZ2 LYS A 89 -4.969 -13.722 0.420 1.00 2.19 H new ATOM 0 HZ3 LYS A 89 -5.595 -12.149 0.296 1.00 2.19 H new ATOM 1014 N GLU A 90 1.465 -11.254 -2.063 1.00 0.64 N ATOM 1015 CA GLU A 90 2.249 -12.398 -2.452 1.00 0.93 C ATOM 1016 C GLU A 90 3.766 -12.148 -2.340 1.00 1.00 C ATOM 1017 O GLU A 90 4.564 -13.080 -2.441 1.00 1.32 O ATOM 1018 CB GLU A 90 1.801 -12.779 -3.853 1.00 1.06 C ATOM 1019 CG GLU A 90 0.530 -13.638 -3.828 1.00 1.29 C ATOM 1020 CD GLU A 90 0.050 -14.009 -5.232 1.00 1.52 C ATOM 1021 OE1 GLU A 90 0.883 -14.110 -6.170 1.00 2.21 O ATOM 1022 OE2 GLU A 90 -1.160 -14.294 -5.392 1.00 2.13 O ATOM 0 H GLU A 90 1.182 -10.651 -2.835 1.00 0.64 H new ATOM 0 HA GLU A 90 2.078 -13.230 -1.769 1.00 0.93 H new ATOM 0 HB2 GLU A 90 1.618 -11.876 -4.435 1.00 1.06 H new ATOM 0 HB3 GLU A 90 2.600 -13.325 -4.355 1.00 1.06 H new ATOM 0 HG2 GLU A 90 0.721 -14.548 -3.260 1.00 1.29 H new ATOM 0 HG3 GLU A 90 -0.261 -13.097 -3.308 1.00 1.29 H new ATOM 1029 N GLU A 91 4.176 -10.903 -2.094 1.00 0.79 N ATOM 1030 CA GLU A 91 5.543 -10.460 -1.838 1.00 0.87 C ATOM 1031 C GLU A 91 5.812 -10.395 -0.324 1.00 0.94 C ATOM 1032 O GLU A 91 6.649 -11.153 0.177 1.00 1.07 O ATOM 1033 CB GLU A 91 5.738 -9.094 -2.521 1.00 0.78 C ATOM 1034 CG GLU A 91 6.227 -9.141 -3.972 1.00 0.56 C ATOM 1035 CD GLU A 91 5.510 -10.167 -4.866 1.00 1.77 C ATOM 1036 OE1 GLU A 91 6.127 -11.224 -5.158 1.00 2.24 O ATOM 1037 OE2 GLU A 91 4.356 -9.923 -5.294 1.00 3.01 O ATOM 0 H GLU A 91 3.515 -10.126 -2.067 1.00 0.79 H new ATOM 0 HA GLU A 91 6.262 -11.168 -2.251 1.00 0.87 H new ATOM 0 HB2 GLU A 91 4.790 -8.556 -2.493 1.00 0.78 H new ATOM 0 HB3 GLU A 91 6.451 -8.514 -1.935 1.00 0.78 H new ATOM 0 HG2 GLU A 91 6.107 -8.151 -4.412 1.00 0.56 H new ATOM 0 HG3 GLU A 91 7.294 -9.363 -3.973 1.00 0.56 H new ATOM 1044 N ILE A 92 5.079 -9.546 0.409 1.00 0.96 N ATOM 1045 CA ILE A 92 5.149 -9.395 1.870 1.00 1.07 C ATOM 1046 C ILE A 92 3.766 -9.672 2.468 1.00 0.95 C ATOM 1047 O ILE A 92 2.947 -8.769 2.641 1.00 1.22 O ATOM 1048 CB ILE A 92 5.636 -7.982 2.261 1.00 1.15 C ATOM 1049 CG1 ILE A 92 6.843 -7.475 1.443 1.00 1.46 C ATOM 1050 CG2 ILE A 92 5.879 -7.932 3.780 1.00 1.23 C ATOM 1051 CD1 ILE A 92 8.182 -8.148 1.755 1.00 0.91 C ATOM 0 H ILE A 92 4.394 -8.921 -0.016 1.00 0.96 H new ATOM 0 HA ILE A 92 5.869 -10.111 2.267 1.00 1.07 H new ATOM 0 HB ILE A 92 4.844 -7.280 2.002 1.00 1.15 H new ATOM 0 HG12 ILE A 92 6.625 -7.613 0.384 1.00 1.46 H new ATOM 0 HG13 ILE A 92 6.948 -6.403 1.610 1.00 1.46 H new ATOM 0 HG21 ILE A 92 6.223 -6.937 4.061 1.00 1.23 H new ATOM 0 HG22 ILE A 92 4.950 -8.157 4.305 1.00 1.23 H new ATOM 0 HG23 ILE A 92 6.636 -8.668 4.052 1.00 1.23 H new ATOM 0 HD11 ILE A 92 8.961 -7.718 1.125 1.00 0.91 H new ATOM 0 HD12 ILE A 92 8.434 -7.989 2.804 1.00 0.91 H new ATOM 0 HD13 ILE A 92 8.106 -9.217 1.559 1.00 0.91 H new ATOM 1063 N LYS A 93 3.475 -10.932 2.794 1.00 0.65 N ATOM 1064 CA LYS A 93 2.145 -11.319 3.249 1.00 0.58 C ATOM 1065 C LYS A 93 1.778 -10.865 4.662 1.00 0.58 C ATOM 1066 O LYS A 93 0.602 -10.877 5.024 1.00 0.56 O ATOM 1067 CB LYS A 93 2.017 -12.829 3.084 1.00 0.66 C ATOM 1068 CG LYS A 93 2.765 -13.639 4.146 1.00 1.74 C ATOM 1069 CD LYS A 93 2.711 -15.144 3.874 1.00 1.68 C ATOM 1070 CE LYS A 93 1.278 -15.677 3.977 1.00 2.32 C ATOM 1071 NZ LYS A 93 1.275 -17.147 4.093 1.00 2.59 N ATOM 0 H LYS A 93 4.145 -11.700 2.750 1.00 0.65 H new ATOM 0 HA LYS A 93 1.421 -10.792 2.628 1.00 0.58 H new ATOM 0 HB2 LYS A 93 0.961 -13.099 3.113 1.00 0.66 H new ATOM 0 HB3 LYS A 93 2.390 -13.109 2.099 1.00 0.66 H new ATOM 0 HG2 LYS A 93 3.805 -13.315 4.180 1.00 1.74 H new ATOM 0 HG3 LYS A 93 2.335 -13.434 5.126 1.00 1.74 H new ATOM 0 HD2 LYS A 93 3.108 -15.351 2.880 1.00 1.68 H new ATOM 0 HD3 LYS A 93 3.348 -15.668 4.587 1.00 1.68 H new ATOM 0 HE2 LYS A 93 0.783 -15.238 4.843 1.00 2.32 H new ATOM 0 HE3 LYS A 93 0.709 -15.376 3.098 1.00 2.32 H new ATOM 0 HZ1 LYS A 93 0.295 -17.488 4.162 1.00 2.59 H new ATOM 0 HZ2 LYS A 93 1.728 -17.562 3.254 1.00 2.59 H new ATOM 0 HZ3 LYS A 93 1.800 -17.429 4.945 1.00 2.59 H new ATOM 1085 N GLU A 94 2.777 -10.481 5.453 1.00 0.68 N ATOM 1086 CA GLU A 94 2.782 -10.056 6.842 1.00 0.70 C ATOM 1087 C GLU A 94 1.991 -8.756 7.157 1.00 0.61 C ATOM 1088 O GLU A 94 2.399 -7.931 7.975 1.00 0.73 O ATOM 1089 CB GLU A 94 4.266 -9.941 7.201 1.00 0.88 C ATOM 1090 CG GLU A 94 5.021 -11.251 7.479 1.00 1.42 C ATOM 1091 CD GLU A 94 5.399 -12.095 6.253 1.00 2.05 C ATOM 1092 OE1 GLU A 94 5.569 -11.556 5.134 1.00 3.10 O ATOM 1093 OE2 GLU A 94 5.579 -13.324 6.432 1.00 2.95 O ATOM 0 H GLU A 94 3.726 -10.460 5.079 1.00 0.68 H new ATOM 0 HA GLU A 94 2.246 -10.783 7.452 1.00 0.70 H new ATOM 0 HB2 GLU A 94 4.773 -9.425 6.386 1.00 0.88 H new ATOM 0 HB3 GLU A 94 4.353 -9.306 8.083 1.00 0.88 H new ATOM 0 HG2 GLU A 94 5.935 -11.010 8.023 1.00 1.42 H new ATOM 0 HG3 GLU A 94 4.409 -11.864 8.140 1.00 1.42 H new ATOM 1100 N MET A 95 0.829 -8.549 6.533 1.00 0.52 N ATOM 1101 CA MET A 95 0.067 -7.291 6.566 1.00 0.53 C ATOM 1102 C MET A 95 -0.573 -6.943 7.919 1.00 0.49 C ATOM 1103 O MET A 95 -1.152 -5.866 8.055 1.00 0.60 O ATOM 1104 CB MET A 95 -0.918 -7.241 5.388 1.00 0.64 C ATOM 1105 CG MET A 95 -0.146 -7.182 4.060 1.00 0.88 C ATOM 1106 SD MET A 95 -1.172 -7.382 2.590 1.00 1.41 S ATOM 1107 CE MET A 95 -1.480 -9.160 2.715 1.00 1.42 C ATOM 0 H MET A 95 0.376 -9.271 5.973 1.00 0.52 H new ATOM 0 HA MET A 95 0.794 -6.488 6.443 1.00 0.53 H new ATOM 0 HB2 MET A 95 -1.563 -8.120 5.405 1.00 0.64 H new ATOM 0 HB3 MET A 95 -1.565 -6.369 5.481 1.00 0.64 H new ATOM 0 HG2 MET A 95 0.373 -6.226 3.998 1.00 0.88 H new ATOM 0 HG3 MET A 95 0.618 -7.960 4.063 1.00 0.88 H new ATOM 0 HE1 MET A 95 -2.205 -9.458 1.957 1.00 1.42 H new ATOM 0 HE2 MET A 95 -0.548 -9.703 2.559 1.00 1.42 H new ATOM 0 HE3 MET A 95 -1.873 -9.392 3.705 1.00 1.42 H new ATOM 1117 N HIS A 96 -0.354 -7.757 8.953 1.00 0.45 N ATOM 1118 CA HIS A 96 -0.541 -7.359 10.356 1.00 0.48 C ATOM 1119 C HIS A 96 0.456 -6.267 10.803 1.00 0.39 C ATOM 1120 O HIS A 96 0.172 -5.496 11.721 1.00 0.55 O ATOM 1121 CB HIS A 96 -0.457 -8.609 11.249 1.00 0.72 C ATOM 1122 CG HIS A 96 0.709 -9.520 10.934 1.00 1.58 C ATOM 1123 ND1 HIS A 96 0.658 -10.633 10.126 1.00 3.52 N ATOM 1124 CD2 HIS A 96 2.007 -9.389 11.352 1.00 1.70 C ATOM 1125 CE1 HIS A 96 1.886 -11.160 10.053 1.00 4.41 C ATOM 1126 NE2 HIS A 96 2.753 -10.429 10.775 1.00 3.27 N ATOM 0 H HIS A 96 -0.039 -8.721 8.843 1.00 0.45 H new ATOM 0 HA HIS A 96 -1.529 -6.910 10.457 1.00 0.48 H new ATOM 0 HB2 HIS A 96 -0.386 -8.294 12.290 1.00 0.72 H new ATOM 0 HB3 HIS A 96 -1.383 -9.175 11.150 1.00 0.72 H new ATOM 0 HD2 HIS A 96 2.389 -8.622 12.009 1.00 1.70 H new ATOM 0 HE1 HIS A 96 2.144 -12.047 9.493 1.00 4.41 H new ATOM 0 HE2 HIS A 96 3.753 -10.597 10.882 1.00 3.27 H new ATOM 1134 N GLY A 97 1.591 -6.161 10.108 1.00 0.34 N ATOM 1135 CA GLY A 97 2.585 -5.091 10.239 1.00 0.37 C ATOM 1136 C GLY A 97 2.273 -3.837 9.415 1.00 0.32 C ATOM 1137 O GLY A 97 2.891 -2.791 9.614 1.00 0.39 O ATOM 0 H GLY A 97 1.855 -6.851 9.405 1.00 0.34 H new ATOM 0 HA2 GLY A 97 2.664 -4.811 11.289 1.00 0.37 H new ATOM 0 HA3 GLY A 97 3.559 -5.477 9.938 1.00 0.37 H new ATOM 1141 N LEU A 98 1.347 -3.930 8.458 1.00 0.33 N ATOM 1142 CA LEU A 98 1.120 -2.892 7.454 1.00 0.34 C ATOM 1143 C LEU A 98 -0.044 -1.972 7.837 1.00 0.35 C ATOM 1144 O LEU A 98 -1.169 -2.416 8.092 1.00 0.57 O ATOM 1145 CB LEU A 98 1.001 -3.486 6.049 1.00 0.46 C ATOM 1146 CG LEU A 98 2.410 -3.751 5.476 1.00 0.60 C ATOM 1147 CD1 LEU A 98 3.033 -5.081 5.872 1.00 1.67 C ATOM 1148 CD2 LEU A 98 2.364 -3.657 3.970 1.00 1.01 C ATOM 0 H LEU A 98 0.729 -4.735 8.359 1.00 0.33 H new ATOM 0 HA LEU A 98 2.000 -2.250 7.430 1.00 0.34 H new ATOM 0 HB2 LEU A 98 0.431 -4.415 6.083 1.00 0.46 H new ATOM 0 HB3 LEU A 98 0.456 -2.801 5.399 1.00 0.46 H new ATOM 0 HG LEU A 98 3.049 -2.984 5.914 1.00 0.60 H new ATOM 0 HD11 LEU A 98 4.020 -5.170 5.419 1.00 1.67 H new ATOM 0 HD12 LEU A 98 3.126 -5.130 6.957 1.00 1.67 H new ATOM 0 HD13 LEU A 98 2.400 -5.897 5.525 1.00 1.67 H new ATOM 0 HD21 LEU A 98 3.358 -3.844 3.563 1.00 1.01 H new ATOM 0 HD22 LEU A 98 1.667 -4.399 3.580 1.00 1.01 H new ATOM 0 HD23 LEU A 98 2.034 -2.660 3.678 1.00 1.01 H new ATOM 1160 N ARG A 99 0.256 -0.675 7.826 1.00 0.29 N ATOM 1161 CA ARG A 99 -0.658 0.442 8.111 1.00 0.30 C ATOM 1162 C ARG A 99 -1.018 1.160 6.809 1.00 0.33 C ATOM 1163 O ARG A 99 -0.217 1.935 6.289 1.00 0.34 O ATOM 1164 CB ARG A 99 -0.027 1.364 9.163 1.00 0.35 C ATOM 1165 CG ARG A 99 -1.097 2.296 9.746 1.00 0.57 C ATOM 1166 CD ARG A 99 -0.474 3.317 10.693 1.00 0.72 C ATOM 1167 NE ARG A 99 -1.493 4.263 11.181 1.00 1.97 N ATOM 1168 CZ ARG A 99 -1.317 5.476 11.672 1.00 2.70 C ATOM 1169 NH1 ARG A 99 -0.143 6.018 11.831 1.00 2.48 N ATOM 1170 NH2 ARG A 99 -2.351 6.209 11.962 1.00 3.98 N ATOM 0 H ARG A 99 1.198 -0.351 7.606 1.00 0.29 H new ATOM 0 HA ARG A 99 -1.594 0.077 8.533 1.00 0.30 H new ATOM 0 HB2 ARG A 99 0.423 0.769 9.958 1.00 0.35 H new ATOM 0 HB3 ARG A 99 0.773 1.951 8.712 1.00 0.35 H new ATOM 0 HG2 ARG A 99 -1.614 2.813 8.938 1.00 0.57 H new ATOM 0 HG3 ARG A 99 -1.845 1.709 10.279 1.00 0.57 H new ATOM 0 HD2 ARG A 99 -0.013 2.804 11.537 1.00 0.72 H new ATOM 0 HD3 ARG A 99 0.318 3.861 10.179 1.00 0.72 H new ATOM 0 HE ARG A 99 -2.459 3.939 11.133 1.00 1.97 H new ATOM 0 HH11 ARG A 99 0.697 5.501 11.571 1.00 2.48 H new ATOM 0 HH12 ARG A 99 -0.064 6.960 12.215 1.00 2.48 H new ATOM 0 HH21 ARG A 99 -3.292 5.846 11.810 1.00 3.98 H new ATOM 0 HH22 ARG A 99 -2.221 7.147 12.342 1.00 3.98 H new ATOM 1184 N ILE A 100 -2.205 0.880 6.267 1.00 0.35 N ATOM 1185 CA ILE A 100 -2.651 1.368 4.951 1.00 0.32 C ATOM 1186 C ILE A 100 -3.711 2.438 5.073 1.00 0.31 C ATOM 1187 O ILE A 100 -4.597 2.413 5.924 1.00 0.37 O ATOM 1188 CB ILE A 100 -3.110 0.224 4.005 1.00 0.32 C ATOM 1189 CG1 ILE A 100 -2.203 -1.022 4.094 1.00 0.41 C ATOM 1190 CG2 ILE A 100 -3.239 0.737 2.558 1.00 0.36 C ATOM 1191 CD1 ILE A 100 -2.525 -2.108 3.062 1.00 0.46 C ATOM 0 H ILE A 100 -2.899 0.298 6.735 1.00 0.35 H new ATOM 0 HA ILE A 100 -1.774 1.822 4.489 1.00 0.32 H new ATOM 0 HB ILE A 100 -4.095 -0.099 4.341 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -1.166 -0.712 3.967 1.00 0.41 H new ATOM 0 HG13 ILE A 100 -2.288 -1.449 5.093 1.00 0.41 H new ATOM 0 HG21 ILE A 100 -3.561 -0.078 1.910 1.00 0.36 H new ATOM 0 HG22 ILE A 100 -3.973 1.542 2.521 1.00 0.36 H new ATOM 0 HG23 ILE A 100 -2.274 1.111 2.217 1.00 0.36 H new ATOM 0 HD11 ILE A 100 -1.843 -2.948 3.193 1.00 0.46 H new ATOM 0 HD12 ILE A 100 -3.551 -2.449 3.201 1.00 0.46 H new ATOM 0 HD13 ILE A 100 -2.411 -1.701 2.057 1.00 0.46 H new ATOM 1203 N PHE A 101 -3.552 3.396 4.179 1.00 0.27 N ATOM 1204 CA PHE A 101 -4.288 4.618 4.045 1.00 0.30 C ATOM 1205 C PHE A 101 -4.746 4.757 2.587 1.00 0.32 C ATOM 1206 O PHE A 101 -3.953 4.615 1.653 1.00 0.47 O ATOM 1207 CB PHE A 101 -3.289 5.707 4.375 1.00 0.35 C ATOM 1208 CG PHE A 101 -2.831 5.860 5.803 1.00 0.36 C ATOM 1209 CD1 PHE A 101 -3.363 6.878 6.612 1.00 1.89 C ATOM 1210 CD2 PHE A 101 -1.777 5.061 6.280 1.00 1.80 C ATOM 1211 CE1 PHE A 101 -2.819 7.110 7.885 1.00 2.03 C ATOM 1212 CE2 PHE A 101 -1.236 5.290 7.550 1.00 1.81 C ATOM 1213 CZ PHE A 101 -1.741 6.334 8.344 1.00 0.85 C ATOM 0 H PHE A 101 -2.830 3.320 3.463 1.00 0.27 H new ATOM 0 HA PHE A 101 -5.168 4.661 4.687 1.00 0.30 H new ATOM 0 HB2 PHE A 101 -2.404 5.542 3.760 1.00 0.35 H new ATOM 0 HB3 PHE A 101 -3.721 6.658 4.063 1.00 0.35 H new ATOM 0 HD1 PHE A 101 -4.187 7.479 6.256 1.00 1.89 H new ATOM 0 HD2 PHE A 101 -1.383 4.267 5.663 1.00 1.80 H new ATOM 0 HE1 PHE A 101 -3.230 7.887 8.513 1.00 2.03 H new ATOM 0 HE2 PHE A 101 -0.434 4.667 7.918 1.00 1.81 H new ATOM 0 HZ PHE A 101 -1.300 6.540 9.308 1.00 0.85 H new ATOM 1223 N THR A 102 -6.022 5.052 2.394 1.00 0.22 N ATOM 1224 CA THR A 102 -6.686 5.207 1.091 1.00 0.19 C ATOM 1225 C THR A 102 -7.702 6.322 1.185 1.00 0.18 C ATOM 1226 O THR A 102 -8.253 6.618 2.250 1.00 0.23 O ATOM 1227 CB THR A 102 -7.461 3.935 0.702 1.00 0.22 C ATOM 1228 OG1 THR A 102 -8.221 3.451 1.795 1.00 0.22 O ATOM 1229 CG2 THR A 102 -6.539 2.806 0.263 1.00 0.30 C ATOM 0 H THR A 102 -6.662 5.199 3.175 1.00 0.22 H new ATOM 0 HA THR A 102 -5.914 5.414 0.350 1.00 0.19 H new ATOM 0 HB THR A 102 -8.106 4.225 -0.127 1.00 0.22 H new ATOM 0 HG1 THR A 102 -9.175 3.495 1.575 1.00 0.22 H new ATOM 0 HG21 THR A 102 -7.134 1.932 -0.001 1.00 0.30 H new ATOM 0 HG22 THR A 102 -5.960 3.125 -0.603 1.00 0.30 H new ATOM 0 HG23 THR A 102 -5.862 2.551 1.078 1.00 0.30 H new ATOM 1237 N SER A 103 -7.953 6.935 0.043 1.00 0.21 N ATOM 1238 CA SER A 103 -8.927 8.000 -0.120 1.00 0.24 C ATOM 1239 C SER A 103 -9.253 8.176 -1.601 1.00 0.26 C ATOM 1240 O SER A 103 -8.730 7.451 -2.452 1.00 0.24 O ATOM 1241 CB SER A 103 -8.398 9.300 0.505 1.00 0.33 C ATOM 1242 OG SER A 103 -7.011 9.497 0.292 1.00 0.61 O ATOM 0 H SER A 103 -7.470 6.699 -0.824 1.00 0.21 H new ATOM 0 HA SER A 103 -9.849 7.738 0.399 1.00 0.24 H new ATOM 0 HB2 SER A 103 -8.947 10.145 0.089 1.00 0.33 H new ATOM 0 HB3 SER A 103 -8.596 9.287 1.577 1.00 0.33 H new ATOM 0 HG SER A 103 -6.837 10.447 0.124 1.00 0.61 H new ATOM 1248 N VAL A 104 -10.126 9.124 -1.926 1.00 0.39 N ATOM 1249 CA VAL A 104 -10.594 9.332 -3.303 1.00 0.40 C ATOM 1250 C VAL A 104 -10.823 10.819 -3.641 1.00 0.45 C ATOM 1251 O VAL A 104 -11.386 11.554 -2.822 1.00 0.59 O ATOM 1252 CB VAL A 104 -11.814 8.425 -3.553 1.00 0.43 C ATOM 1253 CG1 VAL A 104 -12.943 8.556 -2.542 1.00 0.50 C ATOM 1254 CG2 VAL A 104 -12.392 8.591 -4.945 1.00 0.52 C ATOM 0 H VAL A 104 -10.531 9.771 -1.249 1.00 0.39 H new ATOM 0 HA VAL A 104 -9.812 9.038 -4.002 1.00 0.40 H new ATOM 0 HB VAL A 104 -11.392 7.427 -3.437 1.00 0.43 H new ATOM 0 HG11 VAL A 104 -13.752 7.876 -2.809 1.00 0.50 H new ATOM 0 HG12 VAL A 104 -12.572 8.306 -1.548 1.00 0.50 H new ATOM 0 HG13 VAL A 104 -13.316 9.580 -2.543 1.00 0.50 H new ATOM 0 HG21 VAL A 104 -13.249 7.928 -5.065 1.00 0.52 H new ATOM 0 HG22 VAL A 104 -12.710 9.624 -5.086 1.00 0.52 H new ATOM 0 HG23 VAL A 104 -11.633 8.341 -5.686 1.00 0.52 H new ATOM 1264 N PRO A 105 -10.368 11.295 -4.820 1.00 0.41 N ATOM 1265 CA PRO A 105 -10.525 12.677 -5.261 1.00 0.53 C ATOM 1266 C PRO A 105 -11.921 12.940 -5.846 1.00 0.70 C ATOM 1267 O PRO A 105 -12.461 12.157 -6.638 1.00 0.73 O ATOM 1268 CB PRO A 105 -9.385 12.907 -6.259 1.00 0.54 C ATOM 1269 CG PRO A 105 -9.222 11.539 -6.911 1.00 0.42 C ATOM 1270 CD PRO A 105 -9.511 10.591 -5.762 1.00 0.37 C ATOM 0 HA PRO A 105 -10.460 13.385 -4.435 1.00 0.53 H new ATOM 0 HB2 PRO A 105 -9.637 13.675 -6.990 1.00 0.54 H new ATOM 0 HB3 PRO A 105 -8.470 13.229 -5.761 1.00 0.54 H new ATOM 0 HG2 PRO A 105 -9.918 11.398 -7.738 1.00 0.42 H new ATOM 0 HG3 PRO A 105 -8.218 11.397 -7.311 1.00 0.42 H new ATOM 0 HD2 PRO A 105 -10.001 9.687 -6.124 1.00 0.37 H new ATOM 0 HD3 PRO A 105 -8.585 10.280 -5.279 1.00 0.37 H new