USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 536 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 17 CYS SG : rot -150:sc= 0.479 USER MOD Set 1.2: A 20 CYS SG : rot 134:sc= 0.374 USER MOD Set 2.1: A 11 GLN : amide:sc= -0.446 X(o=0.69,f=0.52) USER MOD Set 2.2: A 45 THR OG1 : rot 68:sc= 1.14 USER MOD Single : A 3 SER OG : rot 37:sc= 0.0198 USER MOD Single : A 5 GLN : amide:sc= -1.11 K(o=-1.1,f=-6.3!) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= -0.177 (180deg=-0.719) USER MOD Single : A 10 MET CE :methyl -117:sc= -0.385 (180deg=-0.481) USER MOD Single : A 13 SER OG : rot 24:sc= 0.743 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= 0.307 (180deg=-0.0227) USER MOD Single : A 29 LYS NZ :NH3+ -132:sc= 0.969 (180deg=-0.0942!) USER MOD Single : A 31 MET CE :methyl -147:sc= -2.21 (180deg=-4.21) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0656 X(o=-0.066,f=-0.033) USER MOD Single : A 40 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.3) USER MOD Single : A 43 THR OG1 : rot -40:sc= 0.763 USER MOD Single : A 47 ASN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 50 TYR OH : rot 154:sc= -0.0755 USER MOD Single : A 55 THR OG1 : rot 92:sc= 0.6 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0925 USER MOD Single : A 61 GLN : amide:sc= -0.926 K(o=-0.93,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -130:sc=-0.00393 (180deg=-0.724) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.047 X(o=-0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 3 0.197 15.824 12.993 1.00 0.74 N ATOM 40 CA SER A 3 0.213 14.486 12.423 1.00 0.59 C ATOM 41 C SER A 3 1.651 14.201 12.011 1.00 0.55 C ATOM 42 O SER A 3 2.200 14.955 11.208 1.00 0.73 O ATOM 43 CB SER A 3 -0.704 14.459 11.195 1.00 0.60 C ATOM 44 OG SER A 3 -2.050 14.600 11.600 1.00 0.65 O ATOM 0 HA SER A 3 -0.138 13.738 13.134 1.00 0.59 H new ATOM 0 HB2 SER A 3 -0.434 15.263 10.511 1.00 0.60 H new ATOM 0 HB3 SER A 3 -0.574 13.522 10.653 1.00 0.60 H new ATOM 0 HG SER A 3 -2.101 15.224 12.354 1.00 0.65 H new ATOM 50 N GLU A 4 2.272 13.161 12.572 1.00 0.48 N ATOM 51 CA GLU A 4 3.572 12.708 12.112 1.00 0.46 C ATOM 52 C GLU A 4 3.405 11.941 10.800 1.00 0.47 C ATOM 53 O GLU A 4 2.295 11.764 10.308 1.00 0.66 O ATOM 54 CB GLU A 4 4.255 11.871 13.197 1.00 0.52 C ATOM 55 CG GLU A 4 5.204 12.695 14.053 1.00 0.70 C ATOM 56 CD GLU A 4 6.156 11.835 14.878 1.00 1.07 C ATOM 57 OE1 GLU A 4 6.777 10.934 14.272 1.00 2.16 O ATOM 58 OE2 GLU A 4 6.254 12.101 16.094 1.00 1.76 O ATOM 0 H GLU A 4 1.888 12.620 13.347 1.00 0.48 H new ATOM 0 HA GLU A 4 4.220 13.562 11.918 1.00 0.46 H new ATOM 0 HB2 GLU A 4 3.496 11.418 13.834 1.00 0.52 H new ATOM 0 HB3 GLU A 4 4.807 11.056 12.729 1.00 0.52 H new ATOM 0 HG2 GLU A 4 5.784 13.356 13.410 1.00 0.70 H new ATOM 0 HG3 GLU A 4 4.623 13.330 14.722 1.00 0.70 H new ATOM 65 N GLN A 5 4.521 11.505 10.216 1.00 0.41 N ATOM 66 CA GLN A 5 4.552 10.673 9.029 1.00 0.44 C ATOM 67 C GLN A 5 5.628 9.620 9.236 1.00 0.49 C ATOM 68 O GLN A 5 6.690 9.947 9.758 1.00 0.63 O ATOM 69 CB GLN A 5 4.935 11.518 7.816 1.00 0.49 C ATOM 70 CG GLN A 5 3.887 12.579 7.455 1.00 0.53 C ATOM 71 CD GLN A 5 2.870 12.112 6.419 1.00 0.51 C ATOM 72 OE1 GLN A 5 2.291 12.939 5.725 1.00 1.02 O ATOM 73 NE2 GLN A 5 2.652 10.806 6.269 1.00 0.45 N ATOM 0 H GLN A 5 5.450 11.731 10.571 1.00 0.41 H new ATOM 0 HA GLN A 5 3.575 10.220 8.862 1.00 0.44 H new ATOM 0 HB2 GLN A 5 5.887 12.011 8.012 1.00 0.49 H new ATOM 0 HB3 GLN A 5 5.087 10.862 6.959 1.00 0.49 H new ATOM 0 HG2 GLN A 5 3.359 12.877 8.361 1.00 0.53 H new ATOM 0 HG3 GLN A 5 4.396 13.465 7.077 1.00 0.53 H new ATOM 0 HE21 GLN A 5 3.146 10.136 6.858 1.00 0.45 H new ATOM 0 HE22 GLN A 5 1.992 10.477 5.565 1.00 0.45 H new ATOM 82 N LYS A 6 5.366 8.389 8.799 1.00 0.42 N ATOM 83 CA LYS A 6 6.351 7.324 8.692 1.00 0.41 C ATOM 84 C LYS A 6 6.142 6.558 7.390 1.00 0.35 C ATOM 85 O LYS A 6 5.067 6.603 6.786 1.00 0.35 O ATOM 86 CB LYS A 6 6.269 6.354 9.879 1.00 0.45 C ATOM 87 CG LYS A 6 6.845 6.949 11.172 1.00 0.94 C ATOM 88 CD LYS A 6 8.120 6.241 11.642 1.00 1.15 C ATOM 89 CE LYS A 6 7.884 4.898 12.351 1.00 2.22 C ATOM 90 NZ LYS A 6 7.691 3.782 11.406 1.00 3.60 N ATOM 0 H LYS A 6 4.434 8.101 8.502 1.00 0.42 H new ATOM 0 HA LYS A 6 7.340 7.782 8.700 1.00 0.41 H new ATOM 0 HB2 LYS A 6 5.228 6.076 10.044 1.00 0.45 H new ATOM 0 HB3 LYS A 6 6.808 5.439 9.633 1.00 0.45 H new ATOM 0 HG2 LYS A 6 7.060 8.006 11.014 1.00 0.94 H new ATOM 0 HG3 LYS A 6 6.093 6.891 11.959 1.00 0.94 H new ATOM 0 HD2 LYS A 6 8.765 6.073 10.780 1.00 1.15 H new ATOM 0 HD3 LYS A 6 8.659 6.904 12.319 1.00 1.15 H new ATOM 0 HE2 LYS A 6 8.734 4.679 12.997 1.00 2.22 H new ATOM 0 HE3 LYS A 6 7.008 4.980 12.994 1.00 2.22 H new ATOM 0 HZ1 LYS A 6 7.873 2.881 11.892 1.00 3.60 H new ATOM 0 HZ2 LYS A 6 6.714 3.793 11.051 1.00 3.60 H new ATOM 0 HZ3 LYS A 6 8.350 3.885 10.608 1.00 3.60 H new ATOM 104 N GLU A 7 7.204 5.849 7.011 1.00 0.35 N ATOM 105 CA GLU A 7 7.427 5.144 5.774 1.00 0.32 C ATOM 106 C GLU A 7 7.619 3.679 6.135 1.00 0.37 C ATOM 107 O GLU A 7 8.700 3.248 6.533 1.00 0.62 O ATOM 108 CB GLU A 7 8.687 5.680 5.075 1.00 0.38 C ATOM 109 CG GLU A 7 8.993 7.167 5.323 1.00 0.48 C ATOM 110 CD GLU A 7 9.726 7.458 6.639 1.00 0.66 C ATOM 111 OE1 GLU A 7 9.612 6.637 7.581 1.00 0.77 O ATOM 112 OE2 GLU A 7 10.379 8.520 6.686 1.00 1.45 O ATOM 0 H GLU A 7 8.005 5.752 7.635 1.00 0.35 H new ATOM 0 HA GLU A 7 6.586 5.277 5.093 1.00 0.32 H new ATOM 0 HB2 GLU A 7 9.543 5.090 5.403 1.00 0.38 H new ATOM 0 HB3 GLU A 7 8.583 5.521 4.002 1.00 0.38 H new ATOM 0 HG2 GLU A 7 9.595 7.543 4.496 1.00 0.48 H new ATOM 0 HG3 GLU A 7 8.056 7.724 5.314 1.00 0.48 H new ATOM 119 N ILE A 8 6.554 2.900 6.053 1.00 0.30 N ATOM 120 CA ILE A 8 6.623 1.493 6.334 1.00 0.34 C ATOM 121 C ILE A 8 7.080 0.803 5.043 1.00 0.28 C ATOM 122 O ILE A 8 7.019 1.413 3.976 1.00 0.26 O ATOM 123 CB ILE A 8 5.248 1.072 6.841 1.00 0.43 C ATOM 124 CG1 ILE A 8 4.532 2.067 7.756 1.00 1.16 C ATOM 125 CG2 ILE A 8 5.317 -0.285 7.507 1.00 0.78 C ATOM 126 CD1 ILE A 8 5.355 2.422 8.972 1.00 2.10 C ATOM 0 H ILE A 8 5.626 3.231 5.790 1.00 0.30 H new ATOM 0 HA ILE A 8 7.338 1.215 7.108 1.00 0.34 H new ATOM 0 HB ILE A 8 4.636 1.034 5.940 1.00 0.43 H new ATOM 0 HG12 ILE A 8 4.305 2.974 7.196 1.00 1.16 H new ATOM 0 HG13 ILE A 8 3.580 1.643 8.075 1.00 1.16 H new ATOM 0 HG21 ILE A 8 4.326 -0.567 7.862 1.00 0.78 H new ATOM 0 HG22 ILE A 8 5.670 -1.025 6.789 1.00 0.78 H new ATOM 0 HG23 ILE A 8 6.006 -0.242 8.351 1.00 0.78 H new ATOM 0 HD11 ILE A 8 4.804 3.131 9.590 1.00 2.10 H new ATOM 0 HD12 ILE A 8 5.560 1.520 9.549 1.00 2.10 H new ATOM 0 HD13 ILE A 8 6.296 2.872 8.656 1.00 2.10 H new ATOM 138 N ALA A 9 7.575 -0.434 5.133 1.00 0.31 N ATOM 139 CA ALA A 9 8.055 -1.222 4.004 1.00 0.33 C ATOM 140 C ALA A 9 7.543 -2.648 4.180 1.00 0.44 C ATOM 141 O ALA A 9 7.627 -3.168 5.292 1.00 0.54 O ATOM 142 CB ALA A 9 9.586 -1.210 3.982 1.00 0.39 C ATOM 0 H ALA A 9 7.654 -0.926 6.023 1.00 0.31 H new ATOM 0 HA ALA A 9 7.695 -0.806 3.063 1.00 0.33 H new ATOM 0 HB1 ALA A 9 9.942 -1.800 3.137 1.00 0.39 H new ATOM 0 HB2 ALA A 9 9.940 -0.184 3.884 1.00 0.39 H new ATOM 0 HB3 ALA A 9 9.967 -1.638 4.909 1.00 0.39 H new ATOM 148 N MET A 10 6.983 -3.262 3.133 1.00 0.45 N ATOM 149 CA MET A 10 6.429 -4.614 3.213 1.00 0.51 C ATOM 150 C MET A 10 6.368 -5.266 1.826 1.00 0.31 C ATOM 151 O MET A 10 6.702 -4.618 0.834 1.00 0.24 O ATOM 152 CB MET A 10 5.074 -4.571 3.937 1.00 0.77 C ATOM 153 CG MET A 10 4.047 -3.728 3.180 1.00 1.23 C ATOM 154 SD MET A 10 2.689 -3.069 4.178 1.00 1.49 S ATOM 155 CE MET A 10 3.512 -1.586 4.782 1.00 1.97 C ATOM 0 H MET A 10 6.902 -2.836 2.210 1.00 0.45 H new ATOM 0 HA MET A 10 7.086 -5.252 3.804 1.00 0.51 H new ATOM 0 HB2 MET A 10 4.694 -5.586 4.055 1.00 0.77 H new ATOM 0 HB3 MET A 10 5.211 -4.163 4.938 1.00 0.77 H new ATOM 0 HG2 MET A 10 4.565 -2.893 2.708 1.00 1.23 H new ATOM 0 HG3 MET A 10 3.624 -4.335 2.379 1.00 1.23 H new ATOM 0 HE1 MET A 10 3.601 -1.636 5.867 1.00 1.97 H new ATOM 0 HE2 MET A 10 4.505 -1.515 4.339 1.00 1.97 H new ATOM 0 HE3 MET A 10 2.928 -0.708 4.506 1.00 1.97 H new ATOM 165 N GLN A 11 5.961 -6.541 1.767 1.00 0.30 N ATOM 166 CA GLN A 11 5.875 -7.346 0.554 1.00 0.27 C ATOM 167 C GLN A 11 4.464 -7.277 -0.042 1.00 0.29 C ATOM 168 O GLN A 11 3.518 -6.863 0.626 1.00 0.37 O ATOM 169 CB GLN A 11 6.257 -8.805 0.886 1.00 0.31 C ATOM 170 CG GLN A 11 7.764 -9.030 1.063 1.00 0.69 C ATOM 171 CD GLN A 11 8.517 -8.592 -0.182 1.00 1.22 C ATOM 172 OE1 GLN A 11 9.388 -7.732 -0.120 1.00 2.46 O ATOM 173 NE2 GLN A 11 8.108 -9.116 -1.331 1.00 0.83 N ATOM 0 H GLN A 11 5.672 -7.055 2.599 1.00 0.30 H new ATOM 0 HA GLN A 11 6.569 -6.953 -0.189 1.00 0.27 H new ATOM 0 HB2 GLN A 11 5.745 -9.105 1.801 1.00 0.31 H new ATOM 0 HB3 GLN A 11 5.894 -9.455 0.090 1.00 0.31 H new ATOM 0 HG2 GLN A 11 8.122 -8.471 1.927 1.00 0.69 H new ATOM 0 HG3 GLN A 11 7.960 -10.084 1.262 1.00 0.69 H new ATOM 0 HE21 GLN A 11 7.380 -9.830 -1.335 1.00 0.83 H new ATOM 0 HE22 GLN A 11 8.522 -8.805 -2.210 1.00 0.83 H new ATOM 182 N VAL A 12 4.318 -7.688 -1.305 1.00 0.35 N ATOM 183 CA VAL A 12 3.066 -7.648 -2.060 1.00 0.38 C ATOM 184 C VAL A 12 2.697 -9.066 -2.511 1.00 0.42 C ATOM 185 O VAL A 12 3.563 -9.939 -2.583 1.00 0.57 O ATOM 186 CB VAL A 12 3.238 -6.691 -3.258 1.00 0.48 C ATOM 187 CG1 VAL A 12 1.957 -6.566 -4.093 1.00 1.15 C ATOM 188 CG2 VAL A 12 3.622 -5.290 -2.772 1.00 1.17 C ATOM 0 H VAL A 12 5.094 -8.070 -1.846 1.00 0.35 H new ATOM 0 HA VAL A 12 2.251 -7.276 -1.439 1.00 0.38 H new ATOM 0 HB VAL A 12 4.026 -7.116 -3.880 1.00 0.48 H new ATOM 0 HG11 VAL A 12 2.130 -5.882 -4.924 1.00 1.15 H new ATOM 0 HG12 VAL A 12 1.679 -7.546 -4.482 1.00 1.15 H new ATOM 0 HG13 VAL A 12 1.151 -6.182 -3.468 1.00 1.15 H new ATOM 0 HG21 VAL A 12 3.740 -4.627 -3.629 1.00 1.17 H new ATOM 0 HG22 VAL A 12 2.839 -4.904 -2.119 1.00 1.17 H new ATOM 0 HG23 VAL A 12 4.561 -5.341 -2.221 1.00 1.17 H new ATOM 198 N SER A 13 1.422 -9.319 -2.821 1.00 0.43 N ATOM 199 CA SER A 13 0.975 -10.528 -3.498 1.00 0.48 C ATOM 200 C SER A 13 -0.258 -10.228 -4.347 1.00 0.55 C ATOM 201 O SER A 13 -0.870 -9.170 -4.222 1.00 0.64 O ATOM 202 CB SER A 13 0.706 -11.629 -2.472 1.00 0.55 C ATOM 203 OG SER A 13 1.941 -12.172 -2.057 1.00 0.88 O ATOM 0 H SER A 13 0.662 -8.674 -2.602 1.00 0.43 H new ATOM 0 HA SER A 13 1.757 -10.883 -4.169 1.00 0.48 H new ATOM 0 HB2 SER A 13 0.165 -11.225 -1.617 1.00 0.55 H new ATOM 0 HB3 SER A 13 0.079 -12.407 -2.908 1.00 0.55 H new ATOM 0 HG SER A 13 2.654 -11.516 -2.207 1.00 0.88 H new ATOM 209 N GLY A 14 -0.599 -11.169 -5.232 1.00 0.62 N ATOM 210 CA GLY A 14 -1.627 -10.978 -6.245 1.00 0.79 C ATOM 211 C GLY A 14 -1.173 -9.952 -7.282 1.00 0.92 C ATOM 212 O GLY A 14 -1.927 -9.048 -7.630 1.00 1.66 O ATOM 0 H GLY A 14 -0.163 -12.090 -5.261 1.00 0.62 H new ATOM 0 HA2 GLY A 14 -1.844 -11.927 -6.735 1.00 0.79 H new ATOM 0 HA3 GLY A 14 -2.552 -10.644 -5.775 1.00 0.79 H new ATOM 216 N MET A 15 0.061 -10.104 -7.779 1.00 0.89 N ATOM 217 CA MET A 15 0.675 -9.216 -8.756 1.00 1.06 C ATOM 218 C MET A 15 1.163 -10.031 -9.954 1.00 1.24 C ATOM 219 O MET A 15 1.334 -11.241 -9.841 1.00 1.17 O ATOM 220 CB MET A 15 1.784 -8.389 -8.082 1.00 1.03 C ATOM 221 CG MET A 15 3.000 -9.196 -7.601 1.00 1.06 C ATOM 222 SD MET A 15 4.325 -9.405 -8.819 1.00 1.61 S ATOM 223 CE MET A 15 5.493 -10.391 -7.853 1.00 2.18 C ATOM 0 H MET A 15 0.672 -10.872 -7.500 1.00 0.89 H new ATOM 0 HA MET A 15 -0.054 -8.502 -9.140 1.00 1.06 H new ATOM 0 HB2 MET A 15 2.127 -7.629 -8.785 1.00 1.03 H new ATOM 0 HB3 MET A 15 1.356 -7.864 -7.228 1.00 1.03 H new ATOM 0 HG2 MET A 15 3.414 -8.707 -6.719 1.00 1.06 H new ATOM 0 HG3 MET A 15 2.659 -10.183 -7.287 1.00 1.06 H new ATOM 0 HE1 MET A 15 6.373 -10.610 -8.459 1.00 2.18 H new ATOM 0 HE2 MET A 15 5.793 -9.834 -6.966 1.00 2.18 H new ATOM 0 HE3 MET A 15 5.019 -11.325 -7.552 1.00 2.18 H new ATOM 233 N THR A 16 1.305 -9.370 -11.106 1.00 1.55 N ATOM 234 CA THR A 16 1.765 -9.899 -12.401 1.00 1.67 C ATOM 235 C THR A 16 1.777 -8.803 -13.463 1.00 1.03 C ATOM 236 O THR A 16 2.754 -8.664 -14.195 1.00 1.59 O ATOM 237 CB THR A 16 1.016 -11.158 -12.896 1.00 2.50 C ATOM 238 OG1 THR A 16 -0.209 -11.301 -12.209 1.00 3.01 O ATOM 239 CG2 THR A 16 1.802 -12.455 -12.668 1.00 3.78 C ATOM 0 H THR A 16 1.086 -8.376 -11.166 1.00 1.55 H new ATOM 0 HA THR A 16 2.785 -10.239 -12.224 1.00 1.67 H new ATOM 0 HB THR A 16 0.871 -11.009 -13.966 1.00 2.50 H new ATOM 0 HG1 THR A 16 -0.674 -12.101 -12.533 1.00 3.01 H new ATOM 0 HG21 THR A 16 1.222 -13.301 -13.037 1.00 3.78 H new ATOM 0 HG22 THR A 16 2.751 -12.404 -13.203 1.00 3.78 H new ATOM 0 HG23 THR A 16 1.992 -12.582 -11.602 1.00 3.78 H new ATOM 247 N CYS A 17 0.718 -7.993 -13.507 1.00 0.92 N ATOM 248 CA CYS A 17 0.595 -6.871 -14.434 1.00 1.70 C ATOM 249 C CYS A 17 1.753 -5.870 -14.310 1.00 1.76 C ATOM 250 O CYS A 17 1.991 -5.092 -15.229 1.00 3.07 O ATOM 251 CB CYS A 17 -0.732 -6.147 -14.185 1.00 2.29 C ATOM 252 SG CYS A 17 -2.133 -7.297 -14.192 1.00 2.95 S ATOM 0 H CYS A 17 -0.088 -8.101 -12.891 1.00 0.92 H new ATOM 0 HA CYS A 17 0.627 -7.281 -15.444 1.00 1.70 H new ATOM 0 HB2 CYS A 17 -0.690 -5.630 -13.226 1.00 2.29 H new ATOM 0 HB3 CYS A 17 -0.881 -5.386 -14.951 1.00 2.29 H new ATOM 0 HG CYS A 17 -3.199 -6.680 -14.607 1.00 2.95 H new ATOM 257 N ALA A 18 2.433 -5.845 -13.155 1.00 1.47 N ATOM 258 CA ALA A 18 3.583 -4.986 -12.889 1.00 1.56 C ATOM 259 C ALA A 18 3.237 -3.504 -13.080 1.00 1.28 C ATOM 260 O ALA A 18 4.079 -2.703 -13.478 1.00 2.09 O ATOM 261 CB ALA A 18 4.778 -5.432 -13.741 1.00 2.39 C ATOM 0 H ALA A 18 2.188 -6.439 -12.363 1.00 1.47 H new ATOM 0 HA ALA A 18 3.867 -5.092 -11.842 1.00 1.56 H new ATOM 0 HB1 ALA A 18 5.632 -4.786 -13.537 1.00 2.39 H new ATOM 0 HB2 ALA A 18 5.035 -6.462 -13.496 1.00 2.39 H new ATOM 0 HB3 ALA A 18 4.517 -5.365 -14.797 1.00 2.39 H new ATOM 267 N ALA A 19 1.988 -3.143 -12.766 1.00 0.78 N ATOM 268 CA ALA A 19 1.442 -1.806 -12.964 1.00 0.59 C ATOM 269 C ALA A 19 0.226 -1.606 -12.060 1.00 0.44 C ATOM 270 O ALA A 19 0.116 -0.595 -11.376 1.00 0.52 O ATOM 271 CB ALA A 19 1.084 -1.604 -14.439 1.00 0.63 C ATOM 0 H ALA A 19 1.316 -3.793 -12.357 1.00 0.78 H new ATOM 0 HA ALA A 19 2.189 -1.059 -12.695 1.00 0.59 H new ATOM 0 HB1 ALA A 19 0.676 -0.603 -14.581 1.00 0.63 H new ATOM 0 HB2 ALA A 19 1.979 -1.721 -15.050 1.00 0.63 H new ATOM 0 HB3 ALA A 19 0.341 -2.344 -14.738 1.00 0.63 H new ATOM 277 N CYS A 20 -0.669 -2.594 -12.004 1.00 0.37 N ATOM 278 CA CYS A 20 -1.788 -2.635 -11.068 1.00 0.35 C ATOM 279 C CYS A 20 -1.346 -2.383 -9.623 1.00 0.30 C ATOM 280 O CYS A 20 -2.008 -1.665 -8.873 1.00 0.31 O ATOM 281 CB CYS A 20 -2.476 -3.993 -11.228 1.00 0.43 C ATOM 282 SG CYS A 20 -3.270 -4.004 -12.856 1.00 1.23 S ATOM 0 H CYS A 20 -0.633 -3.404 -12.623 1.00 0.37 H new ATOM 0 HA CYS A 20 -2.489 -1.832 -11.296 1.00 0.35 H new ATOM 0 HB2 CYS A 20 -1.751 -4.803 -11.148 1.00 0.43 H new ATOM 0 HB3 CYS A 20 -3.213 -4.146 -10.440 1.00 0.43 H new ATOM 0 HG CYS A 20 -3.006 -5.125 -13.460 1.00 1.23 H new ATOM 287 N ALA A 21 -0.186 -2.917 -9.244 1.00 0.31 N ATOM 288 CA ALA A 21 0.408 -2.673 -7.939 1.00 0.34 C ATOM 289 C ALA A 21 0.607 -1.166 -7.659 1.00 0.31 C ATOM 290 O ALA A 21 0.670 -0.744 -6.508 1.00 0.33 O ATOM 291 CB ALA A 21 1.706 -3.480 -7.836 1.00 0.48 C ATOM 0 H ALA A 21 0.367 -3.533 -9.839 1.00 0.31 H new ATOM 0 HA ALA A 21 -0.275 -3.010 -7.159 1.00 0.34 H new ATOM 0 HB1 ALA A 21 2.165 -3.308 -6.862 1.00 0.48 H new ATOM 0 HB2 ALA A 21 1.485 -4.541 -7.951 1.00 0.48 H new ATOM 0 HB3 ALA A 21 2.393 -3.166 -8.621 1.00 0.48 H new ATOM 297 N ALA A 22 0.699 -0.327 -8.697 1.00 0.31 N ATOM 298 CA ALA A 22 0.611 1.120 -8.554 1.00 0.30 C ATOM 299 C ALA A 22 -0.818 1.556 -8.252 1.00 0.28 C ATOM 300 O ALA A 22 -1.038 2.347 -7.335 1.00 0.27 O ATOM 301 CB ALA A 22 1.134 1.818 -9.812 1.00 0.34 C ATOM 0 H ALA A 22 0.837 -0.638 -9.659 1.00 0.31 H new ATOM 0 HA ALA A 22 1.236 1.414 -7.711 1.00 0.30 H new ATOM 0 HB1 ALA A 22 1.060 2.898 -9.686 1.00 0.34 H new ATOM 0 HB2 ALA A 22 2.176 1.542 -9.975 1.00 0.34 H new ATOM 0 HB3 ALA A 22 0.539 1.511 -10.672 1.00 0.34 H new ATOM 307 N ARG A 23 -1.787 1.083 -9.045 1.00 0.31 N ATOM 308 CA ARG A 23 -3.192 1.426 -8.853 1.00 0.33 C ATOM 309 C ARG A 23 -3.575 1.220 -7.397 1.00 0.29 C ATOM 310 O ARG A 23 -4.180 2.113 -6.801 1.00 0.29 O ATOM 311 CB ARG A 23 -4.123 0.613 -9.767 1.00 0.43 C ATOM 312 CG ARG A 23 -3.901 0.811 -11.274 1.00 0.79 C ATOM 313 CD ARG A 23 -4.192 2.246 -11.734 1.00 1.47 C ATOM 314 NE ARG A 23 -3.051 3.134 -11.465 1.00 3.32 N ATOM 315 CZ ARG A 23 -3.078 4.474 -11.529 1.00 4.82 C ATOM 316 NH1 ARG A 23 -4.212 5.105 -11.853 1.00 4.96 N ATOM 317 NH2 ARG A 23 -1.970 5.176 -11.267 1.00 6.86 N ATOM 0 H ARG A 23 -1.616 0.456 -9.831 1.00 0.31 H new ATOM 0 HA ARG A 23 -3.315 2.475 -9.123 1.00 0.33 H new ATOM 0 HB2 ARG A 23 -4.000 -0.445 -9.534 1.00 0.43 H new ATOM 0 HB3 ARG A 23 -5.155 0.874 -9.531 1.00 0.43 H new ATOM 0 HG2 ARG A 23 -2.870 0.557 -11.521 1.00 0.79 H new ATOM 0 HG3 ARG A 23 -4.540 0.121 -11.825 1.00 0.79 H new ATOM 0 HD2 ARG A 23 -4.415 2.250 -12.801 1.00 1.47 H new ATOM 0 HD3 ARG A 23 -5.077 2.622 -11.221 1.00 1.47 H new ATOM 0 HE ARG A 23 -2.167 2.695 -11.209 1.00 3.32 H new ATOM 0 HH11 ARG A 23 -5.056 4.568 -12.051 1.00 4.96 H new ATOM 0 HH12 ARG A 23 -4.233 6.124 -11.902 1.00 4.96 H new ATOM 0 HH21 ARG A 23 -1.107 4.693 -11.019 1.00 6.86 H new ATOM 0 HH22 ARG A 23 -1.988 6.195 -11.315 1.00 6.86 H new ATOM 331 N ILE A 24 -3.188 0.079 -6.816 1.00 0.30 N ATOM 332 CA ILE A 24 -3.502 -0.149 -5.417 1.00 0.30 C ATOM 333 C ILE A 24 -2.892 0.938 -4.534 1.00 0.29 C ATOM 334 O ILE A 24 -3.639 1.658 -3.891 1.00 0.31 O ATOM 335 CB ILE A 24 -3.267 -1.585 -4.942 1.00 0.34 C ATOM 336 CG1 ILE A 24 -1.804 -1.834 -4.599 1.00 0.39 C ATOM 337 CG2 ILE A 24 -3.824 -2.558 -5.984 1.00 0.47 C ATOM 338 CD1 ILE A 24 -1.441 -3.293 -4.366 1.00 0.44 C ATOM 0 H ILE A 24 -2.676 -0.671 -7.279 1.00 0.30 H new ATOM 0 HA ILE A 24 -4.582 -0.051 -5.311 1.00 0.30 H new ATOM 0 HB ILE A 24 -3.806 -1.754 -4.010 1.00 0.34 H new ATOM 0 HG12 ILE A 24 -1.185 -1.445 -5.407 1.00 0.39 H new ATOM 0 HG13 ILE A 24 -1.554 -1.265 -3.704 1.00 0.39 H new ATOM 0 HG21 ILE A 24 -3.659 -3.582 -5.650 1.00 0.47 H new ATOM 0 HG22 ILE A 24 -4.893 -2.385 -6.109 1.00 0.47 H new ATOM 0 HG23 ILE A 24 -3.317 -2.401 -6.936 1.00 0.47 H new ATOM 0 HD11 ILE A 24 -0.380 -3.370 -4.128 1.00 0.44 H new ATOM 0 HD12 ILE A 24 -2.029 -3.686 -3.536 1.00 0.44 H new ATOM 0 HD13 ILE A 24 -1.654 -3.869 -5.266 1.00 0.44 H new ATOM 350 N GLU A 25 -1.571 1.122 -4.536 1.00 0.31 N ATOM 351 CA GLU A 25 -0.918 2.129 -3.704 1.00 0.31 C ATOM 352 C GLU A 25 -1.547 3.518 -3.870 1.00 0.28 C ATOM 353 O GLU A 25 -1.739 4.251 -2.900 1.00 0.30 O ATOM 354 CB GLU A 25 0.587 2.150 -4.007 1.00 0.33 C ATOM 355 CG GLU A 25 1.317 1.127 -3.129 1.00 0.58 C ATOM 356 CD GLU A 25 1.507 1.643 -1.710 1.00 1.70 C ATOM 357 OE1 GLU A 25 2.449 2.446 -1.544 1.00 3.27 O ATOM 358 OE2 GLU A 25 0.706 1.250 -0.837 1.00 2.54 O ATOM 0 H GLU A 25 -0.928 0.579 -5.112 1.00 0.31 H new ATOM 0 HA GLU A 25 -1.065 1.855 -2.659 1.00 0.31 H new ATOM 0 HB2 GLU A 25 0.757 1.924 -5.060 1.00 0.33 H new ATOM 0 HB3 GLU A 25 0.988 3.147 -3.826 1.00 0.33 H new ATOM 0 HG2 GLU A 25 0.750 0.196 -3.106 1.00 0.58 H new ATOM 0 HG3 GLU A 25 2.289 0.898 -3.567 1.00 0.58 H new ATOM 365 N LYS A 26 -1.874 3.906 -5.102 1.00 0.27 N ATOM 366 CA LYS A 26 -2.435 5.226 -5.349 1.00 0.29 C ATOM 367 C LYS A 26 -3.875 5.313 -4.817 1.00 0.32 C ATOM 368 O LYS A 26 -4.239 6.296 -4.175 1.00 0.42 O ATOM 369 CB LYS A 26 -2.279 5.641 -6.819 1.00 0.32 C ATOM 370 CG LYS A 26 -0.879 6.225 -7.107 1.00 0.53 C ATOM 371 CD LYS A 26 0.222 5.155 -7.112 1.00 1.17 C ATOM 372 CE LYS A 26 1.620 5.664 -7.501 1.00 0.81 C ATOM 373 NZ LYS A 26 2.368 6.260 -6.368 1.00 1.73 N ATOM 0 H LYS A 26 -1.760 3.329 -5.935 1.00 0.27 H new ATOM 0 HA LYS A 26 -1.863 5.964 -4.787 1.00 0.29 H new ATOM 0 HB2 LYS A 26 -2.451 4.777 -7.460 1.00 0.32 H new ATOM 0 HB3 LYS A 26 -3.039 6.380 -7.070 1.00 0.32 H new ATOM 0 HG2 LYS A 26 -0.893 6.730 -8.073 1.00 0.53 H new ATOM 0 HG3 LYS A 26 -0.643 6.979 -6.356 1.00 0.53 H new ATOM 0 HD2 LYS A 26 0.278 4.708 -6.120 1.00 1.17 H new ATOM 0 HD3 LYS A 26 -0.065 4.363 -7.803 1.00 1.17 H new ATOM 0 HE2 LYS A 26 2.198 4.836 -7.913 1.00 0.81 H new ATOM 0 HE3 LYS A 26 1.520 6.408 -8.292 1.00 0.81 H new ATOM 0 HZ1 LYS A 26 3.390 6.163 -6.537 1.00 1.73 H new ATOM 0 HZ2 LYS A 26 2.125 7.268 -6.283 1.00 1.73 H new ATOM 0 HZ3 LYS A 26 2.115 5.768 -5.488 1.00 1.73 H new ATOM 387 N GLY A 27 -4.699 4.289 -5.050 1.00 0.31 N ATOM 388 CA GLY A 27 -6.048 4.227 -4.492 1.00 0.36 C ATOM 389 C GLY A 27 -6.023 4.108 -2.963 1.00 0.42 C ATOM 390 O GLY A 27 -6.903 4.612 -2.269 1.00 0.60 O ATOM 0 H GLY A 27 -4.451 3.485 -5.627 1.00 0.31 H new ATOM 0 HA2 GLY A 27 -6.602 5.121 -4.779 1.00 0.36 H new ATOM 0 HA3 GLY A 27 -6.578 3.374 -4.915 1.00 0.36 H new ATOM 394 N LEU A 28 -4.994 3.445 -2.444 1.00 0.37 N ATOM 395 CA LEU A 28 -4.711 3.275 -1.030 1.00 0.45 C ATOM 396 C LEU A 28 -4.438 4.656 -0.436 1.00 0.47 C ATOM 397 O LEU A 28 -5.063 5.028 0.556 1.00 0.58 O ATOM 398 CB LEU A 28 -3.594 2.233 -0.910 1.00 0.48 C ATOM 399 CG LEU A 28 -3.189 1.838 0.507 1.00 0.49 C ATOM 400 CD1 LEU A 28 -2.594 0.432 0.485 1.00 1.90 C ATOM 401 CD2 LEU A 28 -2.158 2.837 1.040 1.00 1.80 C ATOM 0 H LEU A 28 -4.299 2.988 -3.035 1.00 0.37 H new ATOM 0 HA LEU A 28 -5.539 2.879 -0.442 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.907 1.333 -1.440 1.00 0.48 H new ATOM 0 HB3 LEU A 28 -2.712 2.616 -1.424 1.00 0.48 H new ATOM 0 HG LEU A 28 -4.063 1.848 1.159 1.00 0.49 H new ATOM 0 HD11 LEU A 28 -2.303 0.144 1.495 1.00 1.90 H new ATOM 0 HD12 LEU A 28 -3.336 -0.271 0.107 1.00 1.90 H new ATOM 0 HD13 LEU A 28 -1.718 0.418 -0.163 1.00 1.90 H new ATOM 0 HD21 LEU A 28 -1.868 2.555 2.052 1.00 1.80 H new ATOM 0 HD22 LEU A 28 -1.279 2.831 0.396 1.00 1.80 H new ATOM 0 HD23 LEU A 28 -2.592 3.837 1.052 1.00 1.80 H new ATOM 413 N LYS A 29 -3.582 5.455 -1.085 1.00 0.42 N ATOM 414 CA LYS A 29 -3.328 6.838 -0.690 1.00 0.47 C ATOM 415 C LYS A 29 -4.622 7.621 -0.435 1.00 0.57 C ATOM 416 O LYS A 29 -4.672 8.451 0.465 1.00 0.85 O ATOM 417 CB LYS A 29 -2.488 7.567 -1.748 1.00 0.48 C ATOM 418 CG LYS A 29 -1.850 8.831 -1.152 1.00 0.69 C ATOM 419 CD LYS A 29 -1.583 9.905 -2.212 1.00 0.74 C ATOM 420 CE LYS A 29 -0.528 9.486 -3.243 1.00 1.83 C ATOM 421 NZ LYS A 29 0.277 10.643 -3.690 1.00 2.84 N ATOM 0 H LYS A 29 -3.047 5.156 -1.900 1.00 0.42 H new ATOM 0 HA LYS A 29 -2.773 6.793 0.247 1.00 0.47 H new ATOM 0 HB2 LYS A 29 -1.710 6.903 -2.124 1.00 0.48 H new ATOM 0 HB3 LYS A 29 -3.116 7.836 -2.598 1.00 0.48 H new ATOM 0 HG2 LYS A 29 -2.507 9.238 -0.383 1.00 0.69 H new ATOM 0 HG3 LYS A 29 -0.913 8.566 -0.663 1.00 0.69 H new ATOM 0 HD2 LYS A 29 -2.515 10.136 -2.728 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -1.256 10.820 -1.718 1.00 0.74 H new ATOM 0 HE2 LYS A 29 0.127 8.730 -2.809 1.00 1.83 H new ATOM 0 HE3 LYS A 29 -1.018 9.028 -4.102 1.00 1.83 H new ATOM 0 HZ1 LYS A 29 0.335 10.645 -4.728 1.00 2.84 H new ATOM 0 HZ2 LYS A 29 -0.171 11.524 -3.366 1.00 2.84 H new ATOM 0 HZ3 LYS A 29 1.235 10.575 -3.290 1.00 2.84 H new ATOM 435 N ARG A 30 -5.666 7.373 -1.231 1.00 0.47 N ATOM 436 CA ARG A 30 -6.933 8.094 -1.146 1.00 0.53 C ATOM 437 C ARG A 30 -7.709 7.848 0.163 1.00 0.57 C ATOM 438 O ARG A 30 -8.792 8.408 0.325 1.00 0.73 O ATOM 439 CB ARG A 30 -7.778 7.778 -2.399 1.00 0.54 C ATOM 440 CG ARG A 30 -7.798 8.934 -3.410 1.00 0.74 C ATOM 441 CD ARG A 30 -9.073 9.774 -3.232 1.00 1.38 C ATOM 442 NE ARG A 30 -8.975 11.099 -3.868 1.00 1.84 N ATOM 443 CZ ARG A 30 -8.949 11.353 -5.187 1.00 2.28 C ATOM 444 NH1 ARG A 30 -9.000 10.347 -6.065 1.00 3.38 N ATOM 445 NH2 ARG A 30 -8.870 12.616 -5.622 1.00 2.73 N ATOM 0 H ARG A 30 -5.652 6.658 -1.959 1.00 0.47 H new ATOM 0 HA ARG A 30 -6.706 9.160 -1.120 1.00 0.53 H new ATOM 0 HB2 ARG A 30 -7.382 6.885 -2.883 1.00 0.54 H new ATOM 0 HB3 ARG A 30 -8.799 7.550 -2.095 1.00 0.54 H new ATOM 0 HG2 ARG A 30 -6.918 9.562 -3.272 1.00 0.74 H new ATOM 0 HG3 ARG A 30 -7.753 8.540 -4.425 1.00 0.74 H new ATOM 0 HD2 ARG A 30 -9.920 9.234 -3.655 1.00 1.38 H new ATOM 0 HD3 ARG A 30 -9.274 9.900 -2.168 1.00 1.38 H new ATOM 0 HE ARG A 30 -8.922 11.904 -3.244 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -9.059 9.384 -5.734 1.00 3.38 H new ATOM 0 HH12 ARG A 30 -8.980 10.542 -7.066 1.00 3.38 H new ATOM 0 HH21 ARG A 30 -8.830 13.384 -4.952 1.00 2.73 H new ATOM 0 HH22 ARG A 30 -8.850 12.810 -6.623 1.00 2.73 H new ATOM 459 N MET A 31 -7.203 7.027 1.090 1.00 0.49 N ATOM 460 CA MET A 31 -7.799 6.864 2.412 1.00 0.46 C ATOM 461 C MET A 31 -7.463 8.044 3.339 1.00 0.42 C ATOM 462 O MET A 31 -6.504 8.766 3.073 1.00 0.52 O ATOM 463 CB MET A 31 -7.290 5.541 2.991 1.00 0.51 C ATOM 464 CG MET A 31 -5.896 5.602 3.617 1.00 2.18 C ATOM 465 SD MET A 31 -5.516 4.084 4.497 1.00 3.79 S ATOM 466 CE MET A 31 -5.103 3.014 3.129 1.00 4.22 C ATOM 0 H MET A 31 -6.369 6.459 0.941 1.00 0.49 H new ATOM 0 HA MET A 31 -8.886 6.847 2.327 1.00 0.46 H new ATOM 0 HB2 MET A 31 -7.996 5.197 3.747 1.00 0.51 H new ATOM 0 HB3 MET A 31 -7.283 4.794 2.198 1.00 0.51 H new ATOM 0 HG2 MET A 31 -5.152 5.771 2.839 1.00 2.18 H new ATOM 0 HG3 MET A 31 -5.838 6.448 4.302 1.00 2.18 H new ATOM 0 HE1 MET A 31 -5.406 1.993 3.361 1.00 4.22 H new ATOM 0 HE2 MET A 31 -5.623 3.352 2.233 1.00 4.22 H new ATOM 0 HE3 MET A 31 -4.027 3.043 2.956 1.00 4.22 H new ATOM 476 N PRO A 32 -8.175 8.223 4.466 1.00 0.43 N ATOM 477 CA PRO A 32 -7.749 9.160 5.495 1.00 0.40 C ATOM 478 C PRO A 32 -6.477 8.637 6.179 1.00 0.41 C ATOM 479 O PRO A 32 -6.364 7.444 6.457 1.00 0.57 O ATOM 480 CB PRO A 32 -8.927 9.257 6.469 1.00 0.49 C ATOM 481 CG PRO A 32 -9.597 7.888 6.350 1.00 0.57 C ATOM 482 CD PRO A 32 -9.377 7.513 4.883 1.00 0.56 C ATOM 0 HA PRO A 32 -7.500 10.143 5.096 1.00 0.40 H new ATOM 0 HB2 PRO A 32 -8.592 9.453 7.487 1.00 0.49 H new ATOM 0 HB3 PRO A 32 -9.608 10.063 6.197 1.00 0.49 H new ATOM 0 HG2 PRO A 32 -9.145 7.159 7.023 1.00 0.57 H new ATOM 0 HG3 PRO A 32 -10.657 7.936 6.598 1.00 0.57 H new ATOM 0 HD2 PRO A 32 -9.254 6.436 4.769 1.00 0.56 H new ATOM 0 HD3 PRO A 32 -10.233 7.802 4.273 1.00 0.56 H new ATOM 490 N GLY A 33 -5.507 9.518 6.433 1.00 0.43 N ATOM 491 CA GLY A 33 -4.319 9.203 7.219 1.00 0.45 C ATOM 492 C GLY A 33 -3.089 8.906 6.359 1.00 0.38 C ATOM 493 O GLY A 33 -1.965 9.191 6.782 1.00 0.50 O ATOM 0 H GLY A 33 -5.527 10.480 6.094 1.00 0.43 H new ATOM 0 HA2 GLY A 33 -4.098 10.039 7.882 1.00 0.45 H new ATOM 0 HA3 GLY A 33 -4.528 8.341 7.852 1.00 0.45 H new ATOM 497 N VAL A 34 -3.266 8.337 5.158 1.00 0.36 N ATOM 498 CA VAL A 34 -2.150 8.211 4.224 1.00 0.30 C ATOM 499 C VAL A 34 -1.974 9.526 3.468 1.00 0.32 C ATOM 500 O VAL A 34 -2.962 10.148 3.089 1.00 0.56 O ATOM 501 CB VAL A 34 -2.346 7.022 3.272 1.00 0.34 C ATOM 502 CG1 VAL A 34 -1.128 6.859 2.352 1.00 0.32 C ATOM 503 CG2 VAL A 34 -2.525 5.720 4.058 1.00 0.52 C ATOM 0 H VAL A 34 -4.154 7.965 4.820 1.00 0.36 H new ATOM 0 HA VAL A 34 -1.237 8.007 4.783 1.00 0.30 H new ATOM 0 HB VAL A 34 -3.238 7.224 2.680 1.00 0.34 H new ATOM 0 HG11 VAL A 34 -1.286 6.011 1.685 1.00 0.32 H new ATOM 0 HG12 VAL A 34 -0.994 7.765 1.761 1.00 0.32 H new ATOM 0 HG13 VAL A 34 -0.237 6.684 2.955 1.00 0.32 H new ATOM 0 HG21 VAL A 34 -2.662 4.891 3.363 1.00 0.52 H new ATOM 0 HG22 VAL A 34 -1.640 5.539 4.668 1.00 0.52 H new ATOM 0 HG23 VAL A 34 -3.400 5.802 4.703 1.00 0.52 H new ATOM 513 N THR A 35 -0.720 9.936 3.242 1.00 0.26 N ATOM 514 CA THR A 35 -0.402 11.152 2.503 1.00 0.32 C ATOM 515 C THR A 35 0.322 10.816 1.196 1.00 0.32 C ATOM 516 O THR A 35 0.037 11.449 0.181 1.00 0.43 O ATOM 517 CB THR A 35 0.328 12.157 3.415 1.00 0.46 C ATOM 518 OG1 THR A 35 -0.562 13.183 3.807 1.00 1.06 O ATOM 519 CG2 THR A 35 1.559 12.799 2.777 1.00 0.66 C ATOM 0 H THR A 35 0.102 9.428 3.570 1.00 0.26 H new ATOM 0 HA THR A 35 -1.318 11.656 2.195 1.00 0.32 H new ATOM 0 HB THR A 35 0.676 11.579 4.271 1.00 0.46 H new ATOM 0 HG1 THR A 35 -0.094 13.818 4.388 1.00 1.06 H new ATOM 0 HG21 THR A 35 2.015 13.493 3.483 1.00 0.66 H new ATOM 0 HG22 THR A 35 2.279 12.024 2.514 1.00 0.66 H new ATOM 0 HG23 THR A 35 1.263 13.339 1.878 1.00 0.66 H new ATOM 527 N ASP A 36 1.217 9.817 1.173 1.00 0.29 N ATOM 528 CA ASP A 36 1.859 9.385 -0.061 1.00 0.31 C ATOM 529 C ASP A 36 2.056 7.874 -0.053 1.00 0.24 C ATOM 530 O ASP A 36 1.899 7.228 0.979 1.00 0.22 O ATOM 531 CB ASP A 36 3.157 10.164 -0.327 1.00 0.43 C ATOM 532 CG ASP A 36 2.971 11.149 -1.470 1.00 0.75 C ATOM 533 OD1 ASP A 36 2.526 10.677 -2.543 1.00 1.61 O ATOM 534 OD2 ASP A 36 3.223 12.351 -1.263 1.00 1.87 O ATOM 0 H ASP A 36 1.508 9.297 2.001 1.00 0.29 H new ATOM 0 HA ASP A 36 1.202 9.617 -0.899 1.00 0.31 H new ATOM 0 HB2 ASP A 36 3.457 10.698 0.574 1.00 0.43 H new ATOM 0 HB3 ASP A 36 3.961 9.468 -0.568 1.00 0.43 H new ATOM 539 N ALA A 37 2.306 7.303 -1.231 1.00 0.27 N ATOM 540 CA ALA A 37 2.340 5.857 -1.432 1.00 0.29 C ATOM 541 C ALA A 37 3.120 5.470 -2.691 1.00 0.31 C ATOM 542 O ALA A 37 2.949 6.093 -3.748 1.00 0.41 O ATOM 543 CB ALA A 37 0.901 5.337 -1.452 1.00 0.43 C ATOM 0 H ALA A 37 2.492 7.837 -2.080 1.00 0.27 H new ATOM 0 HA ALA A 37 2.876 5.387 -0.608 1.00 0.29 H new ATOM 0 HB1 ALA A 37 0.906 4.257 -1.601 1.00 0.43 H new ATOM 0 HB2 ALA A 37 0.417 5.570 -0.504 1.00 0.43 H new ATOM 0 HB3 ALA A 37 0.353 5.813 -2.265 1.00 0.43 H new ATOM 549 N ASN A 38 3.989 4.459 -2.587 1.00 0.26 N ATOM 550 CA ASN A 38 5.024 4.167 -3.565 1.00 0.29 C ATOM 551 C ASN A 38 5.277 2.661 -3.614 1.00 0.26 C ATOM 552 O ASN A 38 5.827 2.066 -2.687 1.00 0.29 O ATOM 553 CB ASN A 38 6.338 4.944 -3.324 1.00 0.31 C ATOM 554 CG ASN A 38 6.380 5.908 -2.141 1.00 0.32 C ATOM 555 OD1 ASN A 38 6.565 7.106 -2.320 1.00 0.46 O ATOM 556 ND2 ASN A 38 6.245 5.404 -0.921 1.00 0.35 N ATOM 0 H ASN A 38 3.986 3.810 -1.800 1.00 0.26 H new ATOM 0 HA ASN A 38 4.655 4.509 -4.532 1.00 0.29 H new ATOM 0 HB2 ASN A 38 7.140 4.217 -3.194 1.00 0.31 H new ATOM 0 HB3 ASN A 38 6.565 5.510 -4.227 1.00 0.31 H new ATOM 0 HD21 ASN A 38 6.294 6.017 -0.107 1.00 0.35 H new ATOM 0 HD22 ASN A 38 6.092 4.403 -0.797 1.00 0.35 H new ATOM 563 N VAL A 39 4.907 2.049 -4.738 1.00 0.25 N ATOM 564 CA VAL A 39 5.072 0.629 -4.967 1.00 0.24 C ATOM 565 C VAL A 39 6.490 0.330 -5.478 1.00 0.23 C ATOM 566 O VAL A 39 6.774 0.443 -6.667 1.00 0.54 O ATOM 567 CB VAL A 39 3.951 0.144 -5.902 1.00 0.32 C ATOM 568 CG1 VAL A 39 3.868 0.834 -7.273 1.00 0.57 C ATOM 569 CG2 VAL A 39 4.048 -1.367 -6.048 1.00 0.57 C ATOM 0 H VAL A 39 4.478 2.540 -5.522 1.00 0.25 H new ATOM 0 HA VAL A 39 4.977 0.069 -4.037 1.00 0.24 H new ATOM 0 HB VAL A 39 3.017 0.434 -5.421 1.00 0.32 H new ATOM 0 HG11 VAL A 39 3.042 0.411 -7.844 1.00 0.57 H new ATOM 0 HG12 VAL A 39 3.703 1.902 -7.133 1.00 0.57 H new ATOM 0 HG13 VAL A 39 4.801 0.679 -7.815 1.00 0.57 H new ATOM 0 HG21 VAL A 39 3.257 -1.720 -6.709 1.00 0.57 H new ATOM 0 HG22 VAL A 39 5.018 -1.630 -6.470 1.00 0.57 H new ATOM 0 HG23 VAL A 39 3.939 -1.835 -5.070 1.00 0.57 H new ATOM 579 N ASN A 40 7.406 -0.090 -4.605 1.00 0.30 N ATOM 580 CA ASN A 40 8.771 -0.402 -5.015 1.00 0.29 C ATOM 581 C ASN A 40 8.844 -1.841 -5.550 1.00 0.27 C ATOM 582 O ASN A 40 9.638 -2.673 -5.095 1.00 0.26 O ATOM 583 CB ASN A 40 9.710 -0.144 -3.833 1.00 0.31 C ATOM 584 CG ASN A 40 11.177 -0.244 -4.231 1.00 0.38 C ATOM 585 OD1 ASN A 40 11.511 -0.354 -5.408 1.00 0.51 O ATOM 586 ND2 ASN A 40 12.074 -0.183 -3.253 1.00 0.59 N ATOM 0 H ASN A 40 7.225 -0.221 -3.610 1.00 0.30 H new ATOM 0 HA ASN A 40 9.091 0.242 -5.834 1.00 0.29 H new ATOM 0 HB2 ASN A 40 9.513 0.847 -3.424 1.00 0.31 H new ATOM 0 HB3 ASN A 40 9.500 -0.863 -3.041 1.00 0.31 H new ATOM 0 HD21 ASN A 40 13.070 -0.227 -3.471 1.00 0.59 H new ATOM 0 HD22 ASN A 40 11.767 -0.092 -2.285 1.00 0.59 H new ATOM 593 N LEU A 41 8.019 -2.123 -6.565 1.00 0.30 N ATOM 594 CA LEU A 41 7.917 -3.444 -7.182 1.00 0.32 C ATOM 595 C LEU A 41 9.178 -3.771 -7.977 1.00 0.36 C ATOM 596 O LEU A 41 9.458 -4.940 -8.228 1.00 0.43 O ATOM 597 CB LEU A 41 6.651 -3.555 -8.049 1.00 0.39 C ATOM 598 CG LEU A 41 5.638 -4.622 -7.589 1.00 0.46 C ATOM 599 CD1 LEU A 41 6.048 -6.020 -8.065 1.00 0.76 C ATOM 600 CD2 LEU A 41 5.372 -4.656 -6.076 1.00 0.94 C ATOM 0 H LEU A 41 7.398 -1.430 -6.983 1.00 0.30 H new ATOM 0 HA LEU A 41 7.829 -4.185 -6.387 1.00 0.32 H new ATOM 0 HB2 LEU A 41 6.153 -2.586 -8.064 1.00 0.39 H new ATOM 0 HB3 LEU A 41 6.949 -3.776 -9.074 1.00 0.39 H new ATOM 0 HG LEU A 41 4.701 -4.320 -8.057 1.00 0.46 H new ATOM 0 HD11 LEU A 41 5.314 -6.750 -7.725 1.00 0.76 H new ATOM 0 HD12 LEU A 41 6.096 -6.034 -9.154 1.00 0.76 H new ATOM 0 HD13 LEU A 41 7.026 -6.271 -7.655 1.00 0.76 H new ATOM 0 HD21 LEU A 41 4.647 -5.438 -5.852 1.00 0.94 H new ATOM 0 HD22 LEU A 41 6.303 -4.862 -5.547 1.00 0.94 H new ATOM 0 HD23 LEU A 41 4.977 -3.692 -5.754 1.00 0.94 H new ATOM 612 N ALA A 42 9.974 -2.749 -8.308 1.00 0.38 N ATOM 613 CA ALA A 42 11.333 -2.912 -8.805 1.00 0.44 C ATOM 614 C ALA A 42 12.110 -3.952 -7.995 1.00 0.43 C ATOM 615 O ALA A 42 12.891 -4.708 -8.566 1.00 0.53 O ATOM 616 CB ALA A 42 12.073 -1.579 -8.734 1.00 0.47 C ATOM 0 H ALA A 42 9.683 -1.774 -8.235 1.00 0.38 H new ATOM 0 HA ALA A 42 11.266 -3.256 -9.837 1.00 0.44 H new ATOM 0 HB1 ALA A 42 13.089 -1.707 -9.107 1.00 0.47 H new ATOM 0 HB2 ALA A 42 11.552 -0.841 -9.344 1.00 0.47 H new ATOM 0 HB3 ALA A 42 12.107 -1.236 -7.700 1.00 0.47 H new ATOM 622 N THR A 43 11.900 -3.979 -6.673 1.00 0.38 N ATOM 623 CA THR A 43 12.438 -5.019 -5.807 1.00 0.49 C ATOM 624 C THR A 43 11.299 -5.673 -5.014 1.00 0.64 C ATOM 625 O THR A 43 11.458 -5.979 -3.834 1.00 1.27 O ATOM 626 CB THR A 43 13.572 -4.446 -4.935 1.00 0.51 C ATOM 627 OG1 THR A 43 14.081 -5.423 -4.050 1.00 0.72 O ATOM 628 CG2 THR A 43 13.141 -3.219 -4.128 1.00 0.57 C ATOM 0 H THR A 43 11.350 -3.276 -6.179 1.00 0.38 H new ATOM 0 HA THR A 43 12.892 -5.816 -6.396 1.00 0.49 H new ATOM 0 HB THR A 43 14.351 -4.136 -5.632 1.00 0.51 H new ATOM 0 HG1 THR A 43 13.341 -5.954 -3.689 1.00 0.72 H new ATOM 0 HG21 THR A 43 13.982 -2.861 -3.534 1.00 0.57 H new ATOM 0 HG22 THR A 43 12.816 -2.432 -4.808 1.00 0.57 H new ATOM 0 HG23 THR A 43 12.318 -3.489 -3.466 1.00 0.57 H new ATOM 636 N GLU A 44 10.148 -5.876 -5.664 1.00 0.33 N ATOM 637 CA GLU A 44 8.995 -6.602 -5.147 1.00 0.36 C ATOM 638 C GLU A 44 8.552 -6.147 -3.745 1.00 0.40 C ATOM 639 O GLU A 44 8.030 -6.957 -2.984 1.00 0.69 O ATOM 640 CB GLU A 44 9.284 -8.108 -5.221 1.00 0.40 C ATOM 641 CG GLU A 44 9.363 -8.571 -6.682 1.00 0.77 C ATOM 642 CD GLU A 44 9.730 -10.044 -6.773 1.00 1.60 C ATOM 643 OE1 GLU A 44 10.918 -10.344 -6.530 1.00 2.88 O ATOM 644 OE2 GLU A 44 8.815 -10.839 -7.079 1.00 1.90 O ATOM 0 H GLU A 44 9.993 -5.520 -6.607 1.00 0.33 H new ATOM 0 HA GLU A 44 8.137 -6.370 -5.777 1.00 0.36 H new ATOM 0 HB2 GLU A 44 10.222 -8.329 -4.712 1.00 0.40 H new ATOM 0 HB3 GLU A 44 8.501 -8.660 -4.701 1.00 0.40 H new ATOM 0 HG2 GLU A 44 8.404 -8.401 -7.172 1.00 0.77 H new ATOM 0 HG3 GLU A 44 10.104 -7.975 -7.215 1.00 0.77 H new ATOM 651 N THR A 45 8.725 -4.863 -3.413 1.00 0.24 N ATOM 652 CA THR A 45 8.407 -4.288 -2.116 1.00 0.23 C ATOM 653 C THR A 45 7.355 -3.185 -2.318 1.00 0.20 C ATOM 654 O THR A 45 7.160 -2.713 -3.437 1.00 0.27 O ATOM 655 CB THR A 45 9.725 -3.743 -1.536 1.00 0.30 C ATOM 656 OG1 THR A 45 10.722 -4.744 -1.509 1.00 0.62 O ATOM 657 CG2 THR A 45 9.584 -3.267 -0.097 1.00 0.47 C ATOM 0 H THR A 45 9.104 -4.178 -4.067 1.00 0.24 H new ATOM 0 HA THR A 45 7.987 -5.015 -1.421 1.00 0.23 H new ATOM 0 HB THR A 45 9.995 -2.912 -2.188 1.00 0.30 H new ATOM 0 HG1 THR A 45 10.982 -4.972 -2.426 1.00 0.62 H new ATOM 0 HG21 THR A 45 10.544 -2.894 0.259 1.00 0.47 H new ATOM 0 HG22 THR A 45 8.844 -2.468 -0.049 1.00 0.47 H new ATOM 0 HG23 THR A 45 9.263 -4.098 0.531 1.00 0.47 H new ATOM 665 N VAL A 46 6.678 -2.743 -1.258 1.00 0.22 N ATOM 666 CA VAL A 46 5.794 -1.581 -1.282 1.00 0.21 C ATOM 667 C VAL A 46 6.099 -0.694 -0.074 1.00 0.20 C ATOM 668 O VAL A 46 6.463 -1.221 0.981 1.00 0.22 O ATOM 669 CB VAL A 46 4.327 -2.037 -1.368 1.00 0.22 C ATOM 670 CG1 VAL A 46 3.939 -3.028 -0.271 1.00 0.26 C ATOM 671 CG2 VAL A 46 3.373 -0.845 -1.292 1.00 0.30 C ATOM 0 H VAL A 46 6.731 -3.191 -0.343 1.00 0.22 H new ATOM 0 HA VAL A 46 5.970 -0.975 -2.170 1.00 0.21 H new ATOM 0 HB VAL A 46 4.239 -2.538 -2.332 1.00 0.22 H new ATOM 0 HG11 VAL A 46 2.893 -3.310 -0.389 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.565 -3.917 -0.346 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.083 -2.565 0.705 1.00 0.26 H new ATOM 0 HG21 VAL A 46 2.344 -1.198 -1.355 1.00 0.30 H new ATOM 0 HG22 VAL A 46 3.520 -0.321 -0.347 1.00 0.30 H new ATOM 0 HG23 VAL A 46 3.575 -0.164 -2.119 1.00 0.30 H new ATOM 681 N ASN A 47 5.986 0.635 -0.239 1.00 0.21 N ATOM 682 CA ASN A 47 6.257 1.625 0.793 1.00 0.20 C ATOM 683 C ASN A 47 5.104 2.617 0.823 1.00 0.23 C ATOM 684 O ASN A 47 4.783 3.183 -0.217 1.00 0.38 O ATOM 685 CB ASN A 47 7.539 2.405 0.472 1.00 0.20 C ATOM 686 CG ASN A 47 8.815 1.656 0.819 1.00 0.22 C ATOM 687 OD1 ASN A 47 9.569 1.248 -0.060 1.00 0.26 O ATOM 688 ND2 ASN A 47 9.093 1.514 2.110 1.00 0.26 N ATOM 0 H ASN A 47 5.695 1.052 -1.123 1.00 0.21 H new ATOM 0 HA ASN A 47 6.373 1.114 1.749 1.00 0.20 H new ATOM 0 HB2 ASN A 47 7.549 2.648 -0.590 1.00 0.20 H new ATOM 0 HB3 ASN A 47 7.524 3.350 1.015 1.00 0.20 H new ATOM 0 HD21 ASN A 47 9.956 1.054 2.398 1.00 0.26 H new ATOM 0 HD22 ASN A 47 8.443 1.865 2.813 1.00 0.26 H new ATOM 695 N VAL A 48 4.530 2.886 1.998 1.00 0.20 N ATOM 696 CA VAL A 48 3.359 3.726 2.157 1.00 0.20 C ATOM 697 C VAL A 48 3.749 4.779 3.190 1.00 0.20 C ATOM 698 O VAL A 48 4.315 4.429 4.229 1.00 0.23 O ATOM 699 CB VAL A 48 2.140 2.867 2.544 1.00 0.26 C ATOM 700 CG1 VAL A 48 2.425 1.923 3.718 1.00 1.78 C ATOM 701 CG2 VAL A 48 0.902 3.729 2.816 1.00 1.75 C ATOM 0 H VAL A 48 4.881 2.513 2.880 1.00 0.20 H new ATOM 0 HA VAL A 48 3.054 4.227 1.239 1.00 0.20 H new ATOM 0 HB VAL A 48 1.928 2.237 1.680 1.00 0.26 H new ATOM 0 HG11 VAL A 48 1.530 1.344 3.945 1.00 1.78 H new ATOM 0 HG12 VAL A 48 3.237 1.246 3.452 1.00 1.78 H new ATOM 0 HG13 VAL A 48 2.711 2.507 4.593 1.00 1.78 H new ATOM 0 HG21 VAL A 48 0.064 3.087 3.086 1.00 1.75 H new ATOM 0 HG22 VAL A 48 1.110 4.417 3.635 1.00 1.75 H new ATOM 0 HG23 VAL A 48 0.650 4.297 1.920 1.00 1.75 H new ATOM 711 N ILE A 49 3.525 6.053 2.859 1.00 0.21 N ATOM 712 CA ILE A 49 3.938 7.200 3.644 1.00 0.23 C ATOM 713 C ILE A 49 2.691 7.776 4.330 1.00 0.22 C ATOM 714 O ILE A 49 1.885 8.475 3.700 1.00 0.24 O ATOM 715 CB ILE A 49 4.628 8.257 2.755 1.00 0.28 C ATOM 716 CG1 ILE A 49 5.612 7.675 1.724 1.00 0.42 C ATOM 717 CG2 ILE A 49 5.313 9.313 3.635 1.00 0.32 C ATOM 718 CD1 ILE A 49 6.687 6.761 2.315 1.00 0.31 C ATOM 0 H ILE A 49 3.033 6.315 2.005 1.00 0.21 H new ATOM 0 HA ILE A 49 4.667 6.899 4.396 1.00 0.23 H new ATOM 0 HB ILE A 49 3.839 8.721 2.163 1.00 0.28 H new ATOM 0 HG12 ILE A 49 5.048 7.115 0.978 1.00 0.42 H new ATOM 0 HG13 ILE A 49 6.100 8.498 1.202 1.00 0.42 H new ATOM 0 HG21 ILE A 49 5.798 10.056 3.001 1.00 0.32 H new ATOM 0 HG22 ILE A 49 4.568 9.802 4.263 1.00 0.32 H new ATOM 0 HG23 ILE A 49 6.060 8.832 4.266 1.00 0.32 H new ATOM 0 HD11 ILE A 49 7.334 6.397 1.517 1.00 0.31 H new ATOM 0 HD12 ILE A 49 7.281 7.319 3.039 1.00 0.31 H new ATOM 0 HD13 ILE A 49 6.212 5.914 2.811 1.00 0.31 H new ATOM 730 N TYR A 50 2.501 7.462 5.613 1.00 0.30 N ATOM 731 CA TYR A 50 1.262 7.777 6.316 1.00 0.31 C ATOM 732 C TYR A 50 1.520 8.213 7.741 1.00 0.29 C ATOM 733 O TYR A 50 2.649 8.105 8.215 1.00 0.31 O ATOM 734 CB TYR A 50 0.325 6.569 6.295 1.00 0.32 C ATOM 735 CG TYR A 50 0.748 5.358 7.102 1.00 0.34 C ATOM 736 CD1 TYR A 50 0.309 5.209 8.429 1.00 1.72 C ATOM 737 CD2 TYR A 50 1.438 4.302 6.486 1.00 1.46 C ATOM 738 CE1 TYR A 50 0.582 4.028 9.136 1.00 1.75 C ATOM 739 CE2 TYR A 50 1.549 3.063 7.137 1.00 1.45 C ATOM 740 CZ TYR A 50 1.139 2.931 8.470 1.00 0.45 C ATOM 741 OH TYR A 50 1.349 1.763 9.142 1.00 0.60 O ATOM 0 H TYR A 50 3.197 6.986 6.187 1.00 0.30 H new ATOM 0 HA TYR A 50 0.789 8.611 5.797 1.00 0.31 H new ATOM 0 HB2 TYR A 50 -0.652 6.892 6.655 1.00 0.32 H new ATOM 0 HB3 TYR A 50 0.196 6.258 5.258 1.00 0.32 H new ATOM 0 HD1 TYR A 50 -0.241 6.007 8.906 1.00 1.72 H new ATOM 0 HD2 TYR A 50 1.883 4.443 5.512 1.00 1.46 H new ATOM 0 HE1 TYR A 50 0.363 3.966 10.192 1.00 1.75 H new ATOM 0 HE2 TYR A 50 1.951 2.211 6.609 1.00 1.45 H new ATOM 0 HH TYR A 50 1.330 1.014 8.510 1.00 0.60 H new ATOM 751 N ASP A 51 0.464 8.696 8.396 1.00 0.30 N ATOM 752 CA ASP A 51 0.500 9.057 9.812 1.00 0.31 C ATOM 753 C ASP A 51 0.105 7.860 10.687 1.00 0.29 C ATOM 754 O ASP A 51 -1.087 7.545 10.764 1.00 0.37 O ATOM 755 CB ASP A 51 -0.435 10.246 10.084 1.00 0.45 C ATOM 756 CG ASP A 51 -0.458 10.629 11.563 1.00 1.89 C ATOM 757 OD1 ASP A 51 0.264 9.975 12.349 1.00 3.04 O ATOM 758 OD2 ASP A 51 -1.215 11.564 11.902 1.00 2.54 O ATOM 0 H ASP A 51 -0.444 8.848 7.957 1.00 0.30 H new ATOM 0 HA ASP A 51 1.520 9.347 10.066 1.00 0.31 H new ATOM 0 HB2 ASP A 51 -0.113 11.103 9.492 1.00 0.45 H new ATOM 0 HB3 ASP A 51 -1.445 9.995 9.759 1.00 0.45 H new ATOM 763 N PRO A 52 1.046 7.191 11.383 1.00 0.34 N ATOM 764 CA PRO A 52 0.720 6.055 12.227 1.00 0.39 C ATOM 765 C PRO A 52 0.044 6.446 13.546 1.00 0.51 C ATOM 766 O PRO A 52 -0.130 5.584 14.407 1.00 0.59 O ATOM 767 CB PRO A 52 2.039 5.311 12.443 1.00 0.55 C ATOM 768 CG PRO A 52 3.037 6.467 12.466 1.00 0.63 C ATOM 769 CD PRO A 52 2.479 7.437 11.420 1.00 0.46 C ATOM 0 HA PRO A 52 -0.023 5.421 11.743 1.00 0.39 H new ATOM 0 HB2 PRO A 52 2.044 4.746 13.375 1.00 0.55 H new ATOM 0 HB3 PRO A 52 2.248 4.604 11.640 1.00 0.55 H new ATOM 0 HG2 PRO A 52 3.095 6.929 13.452 1.00 0.63 H new ATOM 0 HG3 PRO A 52 4.043 6.135 12.210 1.00 0.63 H new ATOM 0 HD2 PRO A 52 2.692 8.471 11.691 1.00 0.46 H new ATOM 0 HD3 PRO A 52 2.932 7.264 10.444 1.00 0.46 H new ATOM 777 N ALA A 53 -0.362 7.708 13.723 1.00 0.60 N ATOM 778 CA ALA A 53 -1.291 8.088 14.766 1.00 0.73 C ATOM 779 C ALA A 53 -2.714 7.849 14.269 1.00 0.69 C ATOM 780 O ALA A 53 -3.607 7.639 15.087 1.00 0.83 O ATOM 781 CB ALA A 53 -1.105 9.567 15.102 1.00 0.84 C ATOM 0 H ALA A 53 -0.050 8.486 13.142 1.00 0.60 H new ATOM 0 HA ALA A 53 -1.108 7.494 15.661 1.00 0.73 H new ATOM 0 HB1 ALA A 53 -1.805 9.852 15.887 1.00 0.84 H new ATOM 0 HB2 ALA A 53 -0.085 9.736 15.446 1.00 0.84 H new ATOM 0 HB3 ALA A 53 -1.293 10.169 14.213 1.00 0.84 H new ATOM 787 N GLU A 54 -2.925 7.923 12.944 1.00 0.56 N ATOM 788 CA GLU A 54 -4.246 7.909 12.345 1.00 0.57 C ATOM 789 C GLU A 54 -4.467 6.573 11.637 1.00 0.51 C ATOM 790 O GLU A 54 -5.383 5.827 11.980 1.00 0.61 O ATOM 791 CB GLU A 54 -4.438 9.131 11.427 1.00 0.61 C ATOM 792 CG GLU A 54 -5.855 9.699 11.590 1.00 0.74 C ATOM 793 CD GLU A 54 -6.129 10.848 10.628 1.00 1.42 C ATOM 794 OE1 GLU A 54 -6.260 10.555 9.419 1.00 2.48 O ATOM 795 OE2 GLU A 54 -6.220 11.994 11.120 1.00 2.63 O ATOM 0 H GLU A 54 -2.169 7.994 12.263 1.00 0.56 H new ATOM 0 HA GLU A 54 -5.011 7.994 13.116 1.00 0.57 H new ATOM 0 HB2 GLU A 54 -3.701 9.897 11.670 1.00 0.61 H new ATOM 0 HB3 GLU A 54 -4.270 8.845 10.389 1.00 0.61 H new ATOM 0 HG2 GLU A 54 -6.584 8.906 11.423 1.00 0.74 H new ATOM 0 HG3 GLU A 54 -5.990 10.045 12.615 1.00 0.74 H new ATOM 802 N THR A 55 -3.593 6.252 10.679 1.00 0.40 N ATOM 803 CA THR A 55 -3.404 4.907 10.168 1.00 0.37 C ATOM 804 C THR A 55 -2.513 3.997 10.987 1.00 0.35 C ATOM 805 O THR A 55 -2.021 4.318 12.061 1.00 0.46 O ATOM 806 CB THR A 55 -3.219 4.824 8.638 1.00 0.39 C ATOM 807 OG1 THR A 55 -2.746 6.049 8.142 1.00 0.44 O ATOM 808 CG2 THR A 55 -4.591 4.620 8.006 1.00 0.42 C ATOM 0 H THR A 55 -2.988 6.941 10.233 1.00 0.40 H new ATOM 0 HA THR A 55 -4.379 4.448 10.334 1.00 0.37 H new ATOM 0 HB THR A 55 -2.523 4.016 8.410 1.00 0.39 H new ATOM 0 HG1 THR A 55 -1.766 6.035 8.117 1.00 0.44 H new ATOM 0 HG21 THR A 55 -4.487 4.558 6.923 1.00 0.42 H new ATOM 0 HG22 THR A 55 -5.031 3.696 8.382 1.00 0.42 H new ATOM 0 HG23 THR A 55 -5.238 5.460 8.261 1.00 0.42 H new ATOM 816 N GLY A 56 -2.406 2.793 10.446 1.00 0.49 N ATOM 817 CA GLY A 56 -1.722 1.628 10.916 1.00 0.56 C ATOM 818 C GLY A 56 -1.928 0.646 9.768 1.00 1.00 C ATOM 819 O GLY A 56 -2.165 1.052 8.630 1.00 2.39 O ATOM 0 H GLY A 56 -2.860 2.601 9.553 1.00 0.49 H new ATOM 0 HA2 GLY A 56 -0.665 1.823 11.100 1.00 0.56 H new ATOM 0 HA3 GLY A 56 -2.145 1.257 11.850 1.00 0.56 H new ATOM 823 N THR A 57 -1.929 -0.636 10.073 1.00 0.58 N ATOM 824 CA THR A 57 -2.148 -1.711 9.132 1.00 0.74 C ATOM 825 C THR A 57 -3.626 -1.744 8.741 1.00 0.50 C ATOM 826 O THR A 57 -3.968 -2.088 7.614 1.00 0.52 O ATOM 827 CB THR A 57 -1.684 -2.982 9.844 1.00 1.08 C ATOM 828 OG1 THR A 57 -2.256 -2.992 11.141 1.00 1.19 O ATOM 829 CG2 THR A 57 -0.156 -2.939 9.997 1.00 1.20 C ATOM 0 H THR A 57 -1.770 -0.969 11.024 1.00 0.58 H new ATOM 0 HA THR A 57 -1.595 -1.593 8.200 1.00 0.74 H new ATOM 0 HB THR A 57 -1.982 -3.864 9.276 1.00 1.08 H new ATOM 0 HG1 THR A 57 -1.973 -3.801 11.617 1.00 1.19 H new ATOM 0 HG21 THR A 57 0.184 -3.842 10.504 1.00 1.20 H new ATOM 0 HG22 THR A 57 0.307 -2.880 9.012 1.00 1.20 H new ATOM 0 HG23 THR A 57 0.126 -2.065 10.584 1.00 1.20 H new ATOM 837 N ALA A 58 -4.488 -1.366 9.694 1.00 0.42 N ATOM 838 CA ALA A 58 -5.933 -1.454 9.615 1.00 0.45 C ATOM 839 C ALA A 58 -6.497 -1.029 8.271 1.00 0.42 C ATOM 840 O ALA A 58 -7.127 -1.811 7.559 1.00 0.46 O ATOM 841 CB ALA A 58 -6.559 -0.646 10.758 1.00 0.52 C ATOM 0 H ALA A 58 -4.170 -0.973 10.580 1.00 0.42 H new ATOM 0 HA ALA A 58 -6.196 -2.507 9.719 1.00 0.45 H new ATOM 0 HB1 ALA A 58 -7.645 -0.712 10.698 1.00 0.52 H new ATOM 0 HB2 ALA A 58 -6.223 -1.048 11.714 1.00 0.52 H new ATOM 0 HB3 ALA A 58 -6.254 0.397 10.675 1.00 0.52 H new ATOM 847 N ALA A 59 -6.275 0.237 7.944 1.00 0.40 N ATOM 848 CA ALA A 59 -6.960 0.807 6.792 1.00 0.38 C ATOM 849 C ALA A 59 -6.316 0.282 5.518 1.00 0.34 C ATOM 850 O ALA A 59 -6.977 0.059 4.508 1.00 0.32 O ATOM 851 CB ALA A 59 -6.968 2.324 6.862 1.00 0.45 C ATOM 0 H ALA A 59 -5.648 0.870 8.440 1.00 0.40 H new ATOM 0 HA ALA A 59 -8.005 0.498 6.793 1.00 0.38 H new ATOM 0 HB1 ALA A 59 -7.485 2.726 5.991 1.00 0.45 H new ATOM 0 HB2 ALA A 59 -7.482 2.644 7.768 1.00 0.45 H new ATOM 0 HB3 ALA A 59 -5.942 2.693 6.877 1.00 0.45 H new ATOM 857 N ILE A 60 -5.000 0.088 5.593 1.00 0.40 N ATOM 858 CA ILE A 60 -4.199 -0.489 4.543 1.00 0.40 C ATOM 859 C ILE A 60 -4.720 -1.857 4.143 1.00 0.35 C ATOM 860 O ILE A 60 -4.967 -2.047 2.961 1.00 0.33 O ATOM 861 CB ILE A 60 -2.716 -0.423 4.949 1.00 0.42 C ATOM 862 CG1 ILE A 60 -2.163 0.940 4.507 1.00 0.43 C ATOM 863 CG2 ILE A 60 -1.856 -1.538 4.346 1.00 0.45 C ATOM 864 CD1 ILE A 60 -1.983 1.933 5.656 1.00 0.90 C ATOM 0 H ILE A 60 -4.455 0.340 6.418 1.00 0.40 H new ATOM 0 HA ILE A 60 -4.280 0.090 3.623 1.00 0.40 H new ATOM 0 HB ILE A 60 -2.668 -0.556 6.030 1.00 0.42 H new ATOM 0 HG12 ILE A 60 -1.202 0.790 4.015 1.00 0.43 H new ATOM 0 HG13 ILE A 60 -2.836 1.373 3.767 1.00 0.43 H new ATOM 0 HG21 ILE A 60 -0.825 -1.422 4.679 1.00 0.45 H new ATOM 0 HG22 ILE A 60 -2.236 -2.507 4.671 1.00 0.45 H new ATOM 0 HG23 ILE A 60 -1.895 -1.479 3.258 1.00 0.45 H new ATOM 0 HD11 ILE A 60 -1.589 2.872 5.267 1.00 0.90 H new ATOM 0 HD12 ILE A 60 -2.945 2.114 6.135 1.00 0.90 H new ATOM 0 HD13 ILE A 60 -1.286 1.522 6.386 1.00 0.90 H new ATOM 876 N GLN A 61 -4.914 -2.792 5.074 1.00 0.38 N ATOM 877 CA GLN A 61 -5.398 -4.119 4.703 1.00 0.39 C ATOM 878 C GLN A 61 -6.789 -3.992 4.054 1.00 0.35 C ATOM 879 O GLN A 61 -7.039 -4.562 2.993 1.00 0.36 O ATOM 880 CB GLN A 61 -5.441 -5.055 5.918 1.00 0.59 C ATOM 881 CG GLN A 61 -4.486 -6.259 5.832 1.00 0.60 C ATOM 882 CD GLN A 61 -3.099 -5.983 6.412 1.00 0.68 C ATOM 883 OE1 GLN A 61 -2.485 -6.859 7.009 1.00 1.05 O ATOM 884 NE2 GLN A 61 -2.588 -4.764 6.267 1.00 0.92 N ATOM 0 H GLN A 61 -4.747 -2.658 6.071 1.00 0.38 H new ATOM 0 HA GLN A 61 -4.707 -4.558 3.983 1.00 0.39 H new ATOM 0 HB2 GLN A 61 -5.200 -4.480 6.812 1.00 0.59 H new ATOM 0 HB3 GLN A 61 -6.459 -5.424 6.041 1.00 0.59 H new ATOM 0 HG2 GLN A 61 -4.930 -7.103 6.360 1.00 0.60 H new ATOM 0 HG3 GLN A 61 -4.382 -6.555 4.788 1.00 0.60 H new ATOM 0 HE21 GLN A 61 -3.113 -4.047 5.767 1.00 0.92 H new ATOM 0 HE22 GLN A 61 -1.671 -4.546 6.656 1.00 0.92 H new ATOM 893 N GLU A 62 -7.679 -3.215 4.686 1.00 0.35 N ATOM 894 CA GLU A 62 -9.012 -2.932 4.163 1.00 0.40 C ATOM 895 C GLU A 62 -8.951 -2.497 2.696 1.00 0.41 C ATOM 896 O GLU A 62 -9.568 -3.092 1.810 1.00 0.51 O ATOM 897 CB GLU A 62 -9.672 -1.844 5.031 1.00 0.40 C ATOM 898 CG GLU A 62 -10.647 -2.450 6.045 1.00 0.52 C ATOM 899 CD GLU A 62 -11.902 -2.983 5.361 1.00 1.75 C ATOM 900 OE1 GLU A 62 -12.486 -2.207 4.571 1.00 2.59 O ATOM 901 OE2 GLU A 62 -12.246 -4.151 5.631 1.00 2.62 O ATOM 0 H GLU A 62 -7.488 -2.764 5.581 1.00 0.35 H new ATOM 0 HA GLU A 62 -9.611 -3.842 4.204 1.00 0.40 H new ATOM 0 HB2 GLU A 62 -8.902 -1.280 5.557 1.00 0.40 H new ATOM 0 HB3 GLU A 62 -10.202 -1.139 4.391 1.00 0.40 H new ATOM 0 HG2 GLU A 62 -10.155 -3.258 6.587 1.00 0.52 H new ATOM 0 HG3 GLU A 62 -10.925 -1.695 6.781 1.00 0.52 H new ATOM 908 N LYS A 63 -8.193 -1.433 2.434 1.00 0.37 N ATOM 909 CA LYS A 63 -8.045 -0.896 1.111 1.00 0.45 C ATOM 910 C LYS A 63 -7.384 -1.913 0.185 1.00 0.36 C ATOM 911 O LYS A 63 -7.860 -2.089 -0.929 1.00 0.39 O ATOM 912 CB LYS A 63 -7.286 0.430 1.214 1.00 0.54 C ATOM 913 CG LYS A 63 -8.275 1.573 1.485 1.00 0.63 C ATOM 914 CD LYS A 63 -9.067 1.914 0.206 1.00 0.89 C ATOM 915 CE LYS A 63 -10.563 2.149 0.477 1.00 1.87 C ATOM 916 NZ LYS A 63 -10.869 3.564 0.766 1.00 2.92 N ATOM 0 H LYS A 63 -7.668 -0.927 3.147 1.00 0.37 H new ATOM 0 HA LYS A 63 -9.016 -0.691 0.661 1.00 0.45 H new ATOM 0 HB2 LYS A 63 -6.549 0.377 2.015 1.00 0.54 H new ATOM 0 HB3 LYS A 63 -6.740 0.620 0.290 1.00 0.54 H new ATOM 0 HG2 LYS A 63 -8.963 1.286 2.281 1.00 0.63 H new ATOM 0 HG3 LYS A 63 -7.736 2.454 1.832 1.00 0.63 H new ATOM 0 HD2 LYS A 63 -8.641 2.806 -0.253 1.00 0.89 H new ATOM 0 HD3 LYS A 63 -8.956 1.102 -0.512 1.00 0.89 H new ATOM 0 HE2 LYS A 63 -11.141 1.825 -0.388 1.00 1.87 H new ATOM 0 HE3 LYS A 63 -10.878 1.533 1.319 1.00 1.87 H new ATOM 0 HZ1 LYS A 63 -11.889 3.670 0.941 1.00 2.92 H new ATOM 0 HZ2 LYS A 63 -10.339 3.869 1.608 1.00 2.92 H new ATOM 0 HZ3 LYS A 63 -10.595 4.152 -0.047 1.00 2.92 H new ATOM 930 N ILE A 64 -6.324 -2.585 0.635 1.00 0.27 N ATOM 931 CA ILE A 64 -5.614 -3.619 -0.099 1.00 0.22 C ATOM 932 C ILE A 64 -6.640 -4.605 -0.690 1.00 0.28 C ATOM 933 O ILE A 64 -6.663 -4.853 -1.898 1.00 0.29 O ATOM 934 CB ILE A 64 -4.610 -4.285 0.864 1.00 0.26 C ATOM 935 CG1 ILE A 64 -3.235 -3.620 0.762 1.00 0.35 C ATOM 936 CG2 ILE A 64 -4.514 -5.804 0.777 1.00 0.39 C ATOM 937 CD1 ILE A 64 -2.473 -4.083 -0.475 1.00 0.51 C ATOM 0 H ILE A 64 -5.925 -2.413 1.558 1.00 0.27 H new ATOM 0 HA ILE A 64 -5.048 -3.214 -0.938 1.00 0.22 H new ATOM 0 HB ILE A 64 -5.022 -4.112 1.858 1.00 0.26 H new ATOM 0 HG12 ILE A 64 -3.356 -2.537 0.730 1.00 0.35 H new ATOM 0 HG13 ILE A 64 -2.653 -3.849 1.655 1.00 0.35 H new ATOM 0 HG21 ILE A 64 -3.779 -6.164 1.497 1.00 0.39 H new ATOM 0 HG22 ILE A 64 -5.486 -6.243 1.000 1.00 0.39 H new ATOM 0 HG23 ILE A 64 -4.208 -6.092 -0.229 1.00 0.39 H new ATOM 0 HD11 ILE A 64 -1.502 -3.588 -0.511 1.00 0.51 H new ATOM 0 HD12 ILE A 64 -2.329 -5.162 -0.430 1.00 0.51 H new ATOM 0 HD13 ILE A 64 -3.043 -3.830 -1.369 1.00 0.51 H new ATOM 949 N GLU A 65 -7.524 -5.121 0.173 1.00 0.37 N ATOM 950 CA GLU A 65 -8.592 -6.033 -0.211 1.00 0.47 C ATOM 951 C GLU A 65 -9.548 -5.361 -1.198 1.00 0.52 C ATOM 952 O GLU A 65 -9.765 -5.870 -2.295 1.00 0.58 O ATOM 953 CB GLU A 65 -9.337 -6.513 1.044 1.00 0.52 C ATOM 954 CG GLU A 65 -8.551 -7.604 1.785 1.00 0.58 C ATOM 955 CD GLU A 65 -8.778 -9.005 1.219 1.00 0.83 C ATOM 956 OE1 GLU A 65 -9.296 -9.100 0.085 1.00 1.76 O ATOM 957 OE2 GLU A 65 -8.439 -9.964 1.945 1.00 1.34 O ATOM 0 H GLU A 65 -7.511 -4.909 1.171 1.00 0.37 H new ATOM 0 HA GLU A 65 -8.159 -6.899 -0.712 1.00 0.47 H new ATOM 0 HB2 GLU A 65 -9.507 -5.669 1.712 1.00 0.52 H new ATOM 0 HB3 GLU A 65 -10.317 -6.898 0.761 1.00 0.52 H new ATOM 0 HG2 GLU A 65 -7.487 -7.370 1.740 1.00 0.58 H new ATOM 0 HG3 GLU A 65 -8.835 -7.595 2.837 1.00 0.58 H new ATOM 964 N LYS A 66 -10.117 -4.206 -0.840 1.00 0.54 N ATOM 965 CA LYS A 66 -11.073 -3.510 -1.703 1.00 0.65 C ATOM 966 C LYS A 66 -10.503 -3.158 -3.082 1.00 0.67 C ATOM 967 O LYS A 66 -11.259 -3.059 -4.047 1.00 0.86 O ATOM 968 CB LYS A 66 -11.608 -2.255 -0.997 1.00 0.70 C ATOM 969 CG LYS A 66 -12.880 -2.570 -0.199 1.00 0.73 C ATOM 970 CD LYS A 66 -14.155 -2.698 -1.057 1.00 2.07 C ATOM 971 CE LYS A 66 -14.712 -1.354 -1.563 1.00 3.53 C ATOM 972 NZ LYS A 66 -14.207 -0.977 -2.902 1.00 5.29 N ATOM 0 H LYS A 66 -9.931 -3.733 0.044 1.00 0.54 H new ATOM 0 HA LYS A 66 -11.894 -4.203 -1.885 1.00 0.65 H new ATOM 0 HB2 LYS A 66 -10.845 -1.857 -0.328 1.00 0.70 H new ATOM 0 HB3 LYS A 66 -11.820 -1.481 -1.735 1.00 0.70 H new ATOM 0 HG2 LYS A 66 -12.730 -3.501 0.348 1.00 0.73 H new ATOM 0 HG3 LYS A 66 -13.033 -1.786 0.542 1.00 0.73 H new ATOM 0 HD2 LYS A 66 -13.940 -3.336 -1.915 1.00 2.07 H new ATOM 0 HD3 LYS A 66 -14.925 -3.200 -0.471 1.00 2.07 H new ATOM 0 HE2 LYS A 66 -15.800 -1.409 -1.595 1.00 3.53 H new ATOM 0 HE3 LYS A 66 -14.453 -0.570 -0.851 1.00 3.53 H new ATOM 0 HZ1 LYS A 66 -13.852 0.000 -2.877 1.00 5.29 H new ATOM 0 HZ2 LYS A 66 -13.435 -1.619 -3.175 1.00 5.29 H new ATOM 0 HZ3 LYS A 66 -14.978 -1.047 -3.596 1.00 5.29 H new ATOM 986 N LEU A 67 -9.197 -2.906 -3.160 1.00 0.52 N ATOM 987 CA LEU A 67 -8.452 -2.668 -4.388 1.00 0.54 C ATOM 988 C LEU A 67 -8.252 -3.954 -5.201 1.00 0.52 C ATOM 989 O LEU A 67 -7.928 -3.882 -6.384 1.00 0.58 O ATOM 990 CB LEU A 67 -7.139 -1.947 -4.055 1.00 0.51 C ATOM 991 CG LEU A 67 -7.412 -0.515 -3.552 1.00 0.58 C ATOM 992 CD1 LEU A 67 -6.236 -0.004 -2.717 1.00 0.57 C ATOM 993 CD2 LEU A 67 -7.669 0.450 -4.716 1.00 0.71 C ATOM 0 H LEU A 67 -8.606 -2.861 -2.330 1.00 0.52 H new ATOM 0 HA LEU A 67 -9.034 -2.016 -5.039 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -6.595 -2.507 -3.294 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -6.504 -1.911 -4.940 1.00 0.51 H new ATOM 0 HG LEU A 67 -8.307 -0.555 -2.931 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -6.448 1.008 -2.371 1.00 0.57 H new ATOM 0 HD12 LEU A 67 -6.089 -0.658 -1.857 1.00 0.57 H new ATOM 0 HD13 LEU A 67 -5.333 0.003 -3.327 1.00 0.57 H new ATOM 0 HD21 LEU A 67 -7.858 1.450 -4.325 1.00 0.71 H new ATOM 0 HD22 LEU A 67 -6.796 0.474 -5.368 1.00 0.71 H new ATOM 0 HD23 LEU A 67 -8.536 0.113 -5.283 1.00 0.71 H new ATOM 1005 N GLY A 68 -8.436 -5.123 -4.578 1.00 0.48 N ATOM 1006 CA GLY A 68 -8.377 -6.427 -5.220 1.00 0.51 C ATOM 1007 C GLY A 68 -6.976 -7.017 -5.113 1.00 0.40 C ATOM 1008 O GLY A 68 -6.465 -7.555 -6.092 1.00 0.40 O ATOM 0 H GLY A 68 -8.636 -5.182 -3.580 1.00 0.48 H new ATOM 0 HA2 GLY A 68 -9.097 -7.100 -4.754 1.00 0.51 H new ATOM 0 HA3 GLY A 68 -8.659 -6.335 -6.269 1.00 0.51 H new ATOM 1012 N TYR A 69 -6.349 -6.894 -3.940 1.00 0.38 N ATOM 1013 CA TYR A 69 -4.941 -7.207 -3.749 1.00 0.35 C ATOM 1014 C TYR A 69 -4.685 -7.799 -2.368 1.00 0.31 C ATOM 1015 O TYR A 69 -5.596 -7.908 -1.553 1.00 0.30 O ATOM 1016 CB TYR A 69 -4.125 -5.931 -3.952 1.00 0.38 C ATOM 1017 CG TYR A 69 -3.223 -6.042 -5.153 1.00 0.37 C ATOM 1018 CD1 TYR A 69 -3.750 -5.861 -6.443 1.00 1.95 C ATOM 1019 CD2 TYR A 69 -1.867 -6.366 -4.989 1.00 1.73 C ATOM 1020 CE1 TYR A 69 -2.897 -5.871 -7.554 1.00 1.94 C ATOM 1021 CE2 TYR A 69 -1.010 -6.331 -6.096 1.00 1.77 C ATOM 1022 CZ TYR A 69 -1.523 -6.099 -7.383 1.00 0.47 C ATOM 1023 OH TYR A 69 -0.687 -6.051 -8.460 1.00 0.58 O ATOM 0 H TYR A 69 -6.814 -6.571 -3.092 1.00 0.38 H new ATOM 0 HA TYR A 69 -4.639 -7.959 -4.478 1.00 0.35 H new ATOM 0 HB2 TYR A 69 -4.798 -5.083 -4.077 1.00 0.38 H new ATOM 0 HB3 TYR A 69 -3.527 -5.734 -3.062 1.00 0.38 H new ATOM 0 HD1 TYR A 69 -4.811 -5.714 -6.578 1.00 1.95 H new ATOM 0 HD2 TYR A 69 -1.487 -6.640 -4.016 1.00 1.73 H new ATOM 0 HE1 TYR A 69 -3.297 -5.703 -8.543 1.00 1.94 H new ATOM 0 HE2 TYR A 69 0.050 -6.483 -5.960 1.00 1.77 H new ATOM 0 HH TYR A 69 -1.043 -5.423 -9.123 1.00 0.58 H new ATOM 1033 N HIS A 70 -3.428 -8.179 -2.114 1.00 0.32 N ATOM 1034 CA HIS A 70 -2.985 -8.764 -0.862 1.00 0.27 C ATOM 1035 C HIS A 70 -1.585 -8.216 -0.557 1.00 0.34 C ATOM 1036 O HIS A 70 -0.728 -8.207 -1.441 1.00 0.57 O ATOM 1037 CB HIS A 70 -3.009 -10.288 -1.040 1.00 0.49 C ATOM 1038 CG HIS A 70 -2.862 -11.095 0.224 1.00 0.80 C ATOM 1039 ND1 HIS A 70 -3.746 -12.055 0.662 1.00 2.00 N ATOM 1040 CD2 HIS A 70 -1.766 -11.141 1.042 1.00 2.03 C ATOM 1041 CE1 HIS A 70 -3.192 -12.659 1.728 1.00 1.90 C ATOM 1042 NE2 HIS A 70 -1.984 -12.139 1.995 1.00 1.91 N ATOM 0 H HIS A 70 -2.677 -8.082 -2.798 1.00 0.32 H new ATOM 0 HA HIS A 70 -3.626 -8.512 -0.017 1.00 0.27 H new ATOM 0 HB2 HIS A 70 -3.948 -10.565 -1.519 1.00 0.49 H new ATOM 0 HB3 HIS A 70 -2.208 -10.568 -1.724 1.00 0.49 H new ATOM 0 HD2 HIS A 70 -0.888 -10.517 0.965 1.00 2.03 H new ATOM 0 HE1 HIS A 70 -3.656 -13.454 2.292 1.00 1.90 H new ATOM 0 HE2 HIS A 70 -1.351 -12.417 2.745 1.00 1.91 H new ATOM 1050 N VAL A 71 -1.356 -7.745 0.673 1.00 0.39 N ATOM 1051 CA VAL A 71 -0.056 -7.275 1.144 1.00 0.47 C ATOM 1052 C VAL A 71 0.496 -8.312 2.120 1.00 0.47 C ATOM 1053 O VAL A 71 -0.269 -8.860 2.911 1.00 0.60 O ATOM 1054 CB VAL A 71 -0.192 -5.875 1.768 1.00 0.60 C ATOM 1055 CG1 VAL A 71 -0.939 -5.844 3.109 1.00 1.61 C ATOM 1056 CG2 VAL A 71 1.169 -5.205 1.925 1.00 1.14 C ATOM 0 H VAL A 71 -2.087 -7.680 1.381 1.00 0.39 H new ATOM 0 HA VAL A 71 0.649 -7.171 0.319 1.00 0.47 H new ATOM 0 HB VAL A 71 -0.805 -5.317 1.060 1.00 0.60 H new ATOM 0 HG11 VAL A 71 -0.987 -4.818 3.475 1.00 1.61 H new ATOM 0 HG12 VAL A 71 -1.950 -6.228 2.971 1.00 1.61 H new ATOM 0 HG13 VAL A 71 -0.411 -6.463 3.834 1.00 1.61 H new ATOM 0 HG21 VAL A 71 1.040 -4.218 2.368 1.00 1.14 H new ATOM 0 HG22 VAL A 71 1.801 -5.813 2.572 1.00 1.14 H new ATOM 0 HG23 VAL A 71 1.640 -5.105 0.947 1.00 1.14 H new ATOM 1066 N VAL A 72 1.796 -8.606 2.045 1.00 0.42 N ATOM 1067 CA VAL A 72 2.442 -9.616 2.872 1.00 0.44 C ATOM 1068 C VAL A 72 3.482 -8.931 3.753 1.00 0.42 C ATOM 1069 O VAL A 72 4.169 -8.009 3.316 1.00 0.42 O ATOM 1070 CB VAL A 72 3.069 -10.724 2.021 1.00 0.50 C ATOM 1071 CG1 VAL A 72 3.425 -11.947 2.877 1.00 0.62 C ATOM 1072 CG2 VAL A 72 2.152 -11.186 0.885 1.00 0.65 C ATOM 0 H VAL A 72 2.434 -8.141 1.399 1.00 0.42 H new ATOM 0 HA VAL A 72 1.695 -10.099 3.502 1.00 0.44 H new ATOM 0 HB VAL A 72 3.970 -10.289 1.590 1.00 0.50 H new ATOM 0 HG11 VAL A 72 3.868 -12.717 2.245 1.00 0.62 H new ATOM 0 HG12 VAL A 72 4.138 -11.656 3.649 1.00 0.62 H new ATOM 0 HG13 VAL A 72 2.522 -12.338 3.346 1.00 0.62 H new ATOM 0 HG21 VAL A 72 2.647 -11.972 0.315 1.00 0.65 H new ATOM 0 HG22 VAL A 72 1.222 -11.571 1.302 1.00 0.65 H new ATOM 0 HG23 VAL A 72 1.934 -10.344 0.228 1.00 0.65 H new ATOM 1082 N ILE A 73 3.588 -9.373 5.003 1.00 0.49 N ATOM 1083 CA ILE A 73 4.530 -8.845 5.970 1.00 0.65 C ATOM 1084 C ILE A 73 5.507 -9.962 6.339 1.00 0.74 C ATOM 1085 O ILE A 73 5.389 -10.573 7.394 1.00 0.76 O ATOM 1086 CB ILE A 73 3.788 -8.233 7.172 1.00 0.79 C ATOM 1087 CG1 ILE A 73 2.946 -7.019 6.750 1.00 1.24 C ATOM 1088 CG2 ILE A 73 4.770 -7.716 8.229 1.00 0.98 C ATOM 1089 CD1 ILE A 73 1.536 -7.399 6.328 1.00 1.10 C ATOM 0 H ILE A 73 3.007 -10.124 5.374 1.00 0.49 H new ATOM 0 HA ILE A 73 5.111 -8.023 5.552 1.00 0.65 H new ATOM 0 HB ILE A 73 3.161 -9.030 7.571 1.00 0.79 H new ATOM 0 HG12 ILE A 73 2.895 -6.312 7.578 1.00 1.24 H new ATOM 0 HG13 ILE A 73 3.442 -6.507 5.925 1.00 1.24 H new ATOM 0 HG21 ILE A 73 4.214 -7.290 9.064 1.00 0.98 H new ATOM 0 HG22 ILE A 73 5.387 -8.540 8.586 1.00 0.98 H new ATOM 0 HG23 ILE A 73 5.408 -6.949 7.789 1.00 0.98 H new ATOM 0 HD11 ILE A 73 0.988 -6.502 6.041 1.00 1.10 H new ATOM 0 HD12 ILE A 73 1.582 -8.083 5.481 1.00 1.10 H new ATOM 0 HD13 ILE A 73 1.026 -7.885 7.160 1.00 1.10 H new