USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 798 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 73 CYS SG : rot 180:sc= -0.29 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 69 CYS SG : rot -111:sc= 0.312 USER MOD Set 2.2: A 78 GLN : amide:sc= -4.77! C(o=-4.5!,f=-3.9!) USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 32 CYS SG : rot -178:sc= 0.939 USER MOD Set 4.2: A 35 CYS SG : rot 83:sc= -2.4! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -0.143 (180deg=-0.758) USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000854 USER MOD Single : A 12 GLN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.772) USER MOD Single : A 28 SER OG : rot -112:sc= 0.00417 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.319 K(o=0.32,f=-4.2!) USER MOD Single : A 44 SER OG : rot 112:sc= 1.22 USER MOD Single : A 46 SER OG : rot -143:sc= 0.275 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.244) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.53 K(o=-0.53,f=-2.9!) USER MOD Single : A 62 CYS SG : rot -12:sc= 0.126 USER MOD Single : A 63 GLN : amide:sc=-0.00396 K(o=-0.004,f=-0.87) USER MOD Single : A 67 SER OG : rot -20:sc= 0.506! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -92:sc= 0.0346 USER MOD Single : A 76 THR OG1 : rot 81:sc= 0.379 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 0.0788 (180deg=0.0776) USER MOD Single : A 93 ASN : amide:sc= -1.92 K(o=-1.9,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -141:sc= -0.147 (180deg=-1.24!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 78:sc= 0.454 USER MOD Single : A 102 ASN : amide:sc= -2.46! K(o=-2.5!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.488 -0.274 9.133 1.00 0.27 N ATOM 21 CA VAL A 2 -3.222 -0.336 8.345 1.00 0.23 C ATOM 22 C VAL A 2 -2.292 -1.405 8.927 1.00 0.25 C ATOM 23 O VAL A 2 -2.243 -1.596 10.127 1.00 0.28 O ATOM 24 CB VAL A 2 -2.531 1.024 8.394 1.00 0.17 C ATOM 25 CG1 VAL A 2 -1.246 0.960 7.566 1.00 0.27 C ATOM 26 CG2 VAL A 2 -3.455 2.087 7.796 1.00 0.08 C ATOM 0 HA VAL A 2 -3.455 -0.594 7.312 1.00 0.23 H new ATOM 0 HB VAL A 2 -2.299 1.279 9.428 1.00 0.17 H new ATOM 0 HG11 VAL A 2 -0.746 1.928 7.595 1.00 0.27 H new ATOM 0 HG12 VAL A 2 -0.585 0.197 7.978 1.00 0.27 H new ATOM 0 HG13 VAL A 2 -1.490 0.709 6.534 1.00 0.27 H new ATOM 0 HG21 VAL A 2 -2.962 3.059 7.831 1.00 0.08 H new ATOM 0 HG22 VAL A 2 -3.681 1.832 6.761 1.00 0.08 H new ATOM 0 HG23 VAL A 2 -4.381 2.129 8.370 1.00 0.08 H new ATOM 36 N LYS A 3 -1.576 -2.078 8.060 1.00 0.27 N ATOM 37 CA LYS A 3 -0.640 -3.147 8.535 1.00 0.33 C ATOM 38 C LYS A 3 0.770 -2.898 7.992 1.00 0.31 C ATOM 39 O LYS A 3 0.961 -2.735 6.803 1.00 0.45 O ATOM 40 CB LYS A 3 -1.141 -4.502 8.036 1.00 0.37 C ATOM 41 CG LYS A 3 -0.543 -5.612 8.902 1.00 0.47 C ATOM 42 CD LYS A 3 -0.912 -6.969 8.300 1.00 1.06 C ATOM 43 CE LYS A 3 -0.211 -8.079 9.086 1.00 0.92 C ATOM 44 NZ LYS A 3 -0.835 -9.400 8.791 1.00 1.82 N ATOM 0 H LYS A 3 -1.598 -1.936 7.050 1.00 0.27 H new ATOM 0 HA LYS A 3 -0.605 -3.136 9.624 1.00 0.33 H new ATOM 0 HB2 LYS A 3 -2.230 -4.538 8.079 1.00 0.37 H new ATOM 0 HB3 LYS A 3 -0.858 -4.646 6.993 1.00 0.37 H new ATOM 0 HG2 LYS A 3 0.541 -5.506 8.954 1.00 0.47 H new ATOM 0 HG3 LYS A 3 -0.920 -5.538 9.922 1.00 0.47 H new ATOM 0 HD2 LYS A 3 -1.992 -7.112 8.331 1.00 1.06 H new ATOM 0 HD3 LYS A 3 -0.616 -7.007 7.252 1.00 1.06 H new ATOM 0 HE2 LYS A 3 0.847 -8.104 8.827 1.00 0.92 H new ATOM 0 HE3 LYS A 3 -0.273 -7.871 10.154 1.00 0.92 H new ATOM 0 HZ1 LYS A 3 -0.348 -10.143 9.332 1.00 1.82 H new ATOM 0 HZ2 LYS A 3 -1.839 -9.377 9.060 1.00 1.82 H new ATOM 0 HZ3 LYS A 3 -0.754 -9.603 7.774 1.00 1.82 H new ATOM 58 N GLN A 4 1.729 -2.872 8.877 1.00 0.30 N ATOM 59 CA GLN A 4 3.135 -2.635 8.432 1.00 0.31 C ATOM 60 C GLN A 4 3.834 -3.972 8.157 1.00 0.31 C ATOM 61 O GLN A 4 3.651 -4.930 8.882 1.00 0.34 O ATOM 62 CB GLN A 4 3.886 -1.882 9.527 1.00 0.38 C ATOM 63 CG GLN A 4 5.278 -1.506 9.014 1.00 0.43 C ATOM 64 CD GLN A 4 5.949 -0.563 10.015 1.00 0.52 C ATOM 65 OE1 GLN A 4 6.995 -0.860 10.558 1.00 1.04 O ATOM 66 NE2 GLN A 4 5.383 0.580 10.286 1.00 1.36 N ATOM 0 H GLN A 4 1.604 -3.003 9.881 1.00 0.30 H new ATOM 0 HA GLN A 4 3.128 -2.046 7.515 1.00 0.31 H new ATOM 0 HB2 GLN A 4 3.336 -0.985 9.812 1.00 0.38 H new ATOM 0 HB3 GLN A 4 3.969 -2.502 10.420 1.00 0.38 H new ATOM 0 HG2 GLN A 4 5.883 -2.403 8.880 1.00 0.43 H new ATOM 0 HG3 GLN A 4 5.201 -1.025 8.039 1.00 0.43 H new ATOM 0 HE21 GLN A 4 4.505 0.834 9.833 1.00 1.36 H new ATOM 0 HE22 GLN A 4 5.818 1.220 10.951 1.00 1.36 H new ATOM 75 N ILE A 5 4.620 -4.007 7.116 1.00 0.31 N ATOM 76 CA ILE A 5 5.338 -5.274 6.779 1.00 0.35 C ATOM 77 C ILE A 5 6.742 -5.262 7.397 1.00 0.46 C ATOM 78 O ILE A 5 7.172 -4.266 7.945 1.00 0.46 O ATOM 79 CB ILE A 5 5.449 -5.393 5.252 1.00 0.34 C ATOM 80 CG1 ILE A 5 4.054 -5.196 4.615 1.00 0.24 C ATOM 81 CG2 ILE A 5 6.019 -6.775 4.870 1.00 0.41 C ATOM 82 CD1 ILE A 5 3.041 -6.164 5.245 1.00 0.24 C ATOM 0 H ILE A 5 4.797 -3.223 6.488 1.00 0.31 H new ATOM 0 HA ILE A 5 4.784 -6.123 7.179 1.00 0.35 H new ATOM 0 HB ILE A 5 6.124 -4.623 4.879 1.00 0.34 H new ATOM 0 HG12 ILE A 5 3.723 -4.168 4.758 1.00 0.24 H new ATOM 0 HG13 ILE A 5 4.110 -5.366 3.540 1.00 0.24 H new ATOM 0 HG21 ILE A 5 6.094 -6.850 3.785 1.00 0.41 H new ATOM 0 HG22 ILE A 5 7.008 -6.895 5.312 1.00 0.41 H new ATOM 0 HG23 ILE A 5 5.358 -7.557 5.243 1.00 0.41 H new ATOM 0 HD11 ILE A 5 2.063 -6.015 4.788 1.00 0.24 H new ATOM 0 HD12 ILE A 5 3.367 -7.191 5.079 1.00 0.24 H new ATOM 0 HD13 ILE A 5 2.974 -5.974 6.316 1.00 0.24 H new ATOM 94 N GLU A 6 7.422 -6.372 7.292 1.00 0.55 N ATOM 95 CA GLU A 6 8.800 -6.453 7.864 1.00 0.66 C ATOM 96 C GLU A 6 9.718 -7.226 6.911 1.00 0.66 C ATOM 97 O GLU A 6 10.869 -6.880 6.738 1.00 0.65 O ATOM 98 CB GLU A 6 8.742 -7.173 9.212 1.00 0.69 C ATOM 99 CG GLU A 6 7.479 -6.739 9.961 1.00 1.94 C ATOM 100 CD GLU A 6 7.514 -7.309 11.381 1.00 1.92 C ATOM 101 OE1 GLU A 6 7.314 -8.507 11.488 1.00 1.90 O ATOM 102 OE2 GLU A 6 7.738 -6.513 12.279 1.00 2.45 O ATOM 0 H GLU A 6 7.087 -7.222 6.838 1.00 0.55 H new ATOM 0 HA GLU A 6 9.195 -5.446 7.999 1.00 0.66 H new ATOM 0 HB2 GLU A 6 8.737 -8.253 9.061 1.00 0.69 H new ATOM 0 HB3 GLU A 6 9.628 -6.938 9.802 1.00 0.69 H new ATOM 0 HG2 GLU A 6 7.418 -5.651 9.995 1.00 1.94 H new ATOM 0 HG3 GLU A 6 6.591 -7.092 9.436 1.00 1.94 H new ATOM 109 N SER A 7 9.186 -8.257 6.313 1.00 0.69 N ATOM 110 CA SER A 7 10.016 -9.061 5.367 1.00 0.70 C ATOM 111 C SER A 7 9.152 -9.594 4.219 1.00 0.66 C ATOM 112 O SER A 7 7.953 -9.396 4.197 1.00 0.66 O ATOM 113 CB SER A 7 10.643 -10.234 6.120 1.00 0.72 C ATOM 114 OG SER A 7 9.537 -11.047 6.481 1.00 0.53 O ATOM 0 H SER A 7 8.225 -8.576 6.435 1.00 0.69 H new ATOM 0 HA SER A 7 10.798 -8.425 4.951 1.00 0.70 H new ATOM 0 HB2 SER A 7 11.349 -10.778 5.493 1.00 0.72 H new ATOM 0 HB3 SER A 7 11.192 -9.895 6.999 1.00 0.72 H new ATOM 0 HG SER A 7 9.855 -11.833 6.973 1.00 0.53 H new ATOM 120 N LYS A 8 9.782 -10.259 3.291 1.00 0.64 N ATOM 121 CA LYS A 8 9.017 -10.813 2.135 1.00 0.61 C ATOM 122 C LYS A 8 8.150 -11.985 2.587 1.00 0.53 C ATOM 123 O LYS A 8 7.025 -12.140 2.150 1.00 0.42 O ATOM 124 CB LYS A 8 10.005 -11.283 1.066 1.00 0.66 C ATOM 125 CG LYS A 8 9.233 -11.752 -0.169 1.00 0.66 C ATOM 126 CD LYS A 8 10.229 -12.171 -1.255 1.00 0.96 C ATOM 127 CE LYS A 8 10.128 -13.682 -1.473 1.00 0.84 C ATOM 128 NZ LYS A 8 8.762 -14.051 -1.937 1.00 1.17 N ATOM 0 H LYS A 8 10.785 -10.443 3.281 1.00 0.64 H new ATOM 0 HA LYS A 8 8.368 -10.039 1.726 1.00 0.61 H new ATOM 0 HB2 LYS A 8 10.682 -10.471 0.799 1.00 0.66 H new ATOM 0 HB3 LYS A 8 10.619 -12.095 1.455 1.00 0.66 H new ATOM 0 HG2 LYS A 8 8.584 -12.589 0.089 1.00 0.66 H new ATOM 0 HG3 LYS A 8 8.590 -10.952 -0.537 1.00 0.66 H new ATOM 0 HD2 LYS A 8 10.016 -11.642 -2.184 1.00 0.96 H new ATOM 0 HD3 LYS A 8 11.243 -11.901 -0.959 1.00 0.96 H new ATOM 0 HE2 LYS A 8 10.867 -14.000 -2.209 1.00 0.84 H new ATOM 0 HE3 LYS A 8 10.357 -14.206 -0.545 1.00 0.84 H new ATOM 0 HZ1 LYS A 8 8.825 -14.843 -2.608 1.00 1.17 H new ATOM 0 HZ2 LYS A 8 8.183 -14.334 -1.121 1.00 1.17 H new ATOM 0 HZ3 LYS A 8 8.322 -13.234 -2.407 1.00 1.17 H new ATOM 142 N THR A 9 8.689 -12.780 3.455 1.00 0.63 N ATOM 143 CA THR A 9 7.920 -13.950 3.955 1.00 0.57 C ATOM 144 C THR A 9 6.557 -13.494 4.466 1.00 0.42 C ATOM 145 O THR A 9 5.573 -14.199 4.349 1.00 0.39 O ATOM 146 CB THR A 9 8.697 -14.613 5.093 1.00 0.64 C ATOM 147 OG1 THR A 9 9.981 -14.893 4.542 1.00 0.90 O ATOM 148 CG2 THR A 9 8.109 -15.974 5.458 1.00 0.54 C ATOM 0 H THR A 9 9.627 -12.675 3.842 1.00 0.63 H new ATOM 0 HA THR A 9 7.776 -14.663 3.143 1.00 0.57 H new ATOM 0 HB THR A 9 8.689 -13.968 5.972 1.00 0.64 H new ATOM 0 HG1 THR A 9 10.542 -15.322 5.221 1.00 0.90 H new ATOM 0 HG21 THR A 9 8.687 -16.414 6.270 1.00 0.54 H new ATOM 0 HG22 THR A 9 7.074 -15.850 5.776 1.00 0.54 H new ATOM 0 HG23 THR A 9 8.145 -16.631 4.589 1.00 0.54 H new ATOM 156 N ALA A 10 6.535 -12.324 5.021 1.00 0.39 N ATOM 157 CA ALA A 10 5.258 -11.783 5.552 1.00 0.31 C ATOM 158 C ALA A 10 4.408 -11.214 4.416 1.00 0.22 C ATOM 159 O ALA A 10 3.231 -11.492 4.319 1.00 0.14 O ATOM 160 CB ALA A 10 5.564 -10.682 6.558 1.00 0.49 C ATOM 0 H ALA A 10 7.346 -11.715 5.132 1.00 0.39 H new ATOM 0 HA ALA A 10 4.703 -12.587 6.036 1.00 0.31 H new ATOM 0 HB1 ALA A 10 4.631 -10.280 6.952 1.00 0.49 H new ATOM 0 HB2 ALA A 10 6.157 -11.091 7.376 1.00 0.49 H new ATOM 0 HB3 ALA A 10 6.123 -9.886 6.067 1.00 0.49 H new ATOM 166 N PHE A 11 5.018 -10.418 3.583 1.00 0.25 N ATOM 167 CA PHE A 11 4.253 -9.835 2.448 1.00 0.22 C ATOM 168 C PHE A 11 3.412 -10.928 1.783 1.00 0.22 C ATOM 169 O PHE A 11 2.387 -10.658 1.193 1.00 0.24 O ATOM 170 CB PHE A 11 5.237 -9.256 1.433 1.00 0.30 C ATOM 171 CG PHE A 11 4.468 -8.532 0.325 1.00 0.32 C ATOM 172 CD1 PHE A 11 3.771 -7.368 0.599 1.00 0.33 C ATOM 173 CD2 PHE A 11 4.459 -9.034 -0.966 1.00 0.34 C ATOM 174 CE1 PHE A 11 3.079 -6.717 -0.401 1.00 0.36 C ATOM 175 CE2 PHE A 11 3.765 -8.380 -1.964 1.00 0.38 C ATOM 176 CZ PHE A 11 3.077 -7.223 -1.681 1.00 0.39 C ATOM 0 H PHE A 11 6.000 -10.149 3.638 1.00 0.25 H new ATOM 0 HA PHE A 11 3.593 -9.048 2.812 1.00 0.22 H new ATOM 0 HB2 PHE A 11 5.919 -8.564 1.927 1.00 0.30 H new ATOM 0 HB3 PHE A 11 5.845 -10.053 1.006 1.00 0.30 H new ATOM 0 HD1 PHE A 11 3.769 -6.967 1.602 1.00 0.33 H new ATOM 0 HD2 PHE A 11 4.998 -9.942 -1.193 1.00 0.34 H new ATOM 0 HE1 PHE A 11 2.538 -5.809 -0.179 1.00 0.36 H new ATOM 0 HE2 PHE A 11 3.762 -8.777 -2.968 1.00 0.38 H new ATOM 0 HZ PHE A 11 2.535 -6.712 -2.463 1.00 0.39 H new ATOM 186 N GLN A 12 3.874 -12.143 1.897 1.00 0.26 N ATOM 187 CA GLN A 12 3.127 -13.281 1.279 1.00 0.30 C ATOM 188 C GLN A 12 1.904 -13.665 2.116 1.00 0.23 C ATOM 189 O GLN A 12 0.778 -13.502 1.687 1.00 0.19 O ATOM 190 CB GLN A 12 4.060 -14.486 1.160 1.00 0.37 C ATOM 191 CG GLN A 12 4.892 -14.353 -0.117 1.00 0.72 C ATOM 192 CD GLN A 12 4.144 -15.009 -1.280 1.00 0.57 C ATOM 193 OE1 GLN A 12 3.676 -14.347 -2.184 1.00 1.04 O ATOM 194 NE2 GLN A 12 4.011 -16.307 -1.294 1.00 1.67 N ATOM 0 H GLN A 12 4.731 -12.399 2.388 1.00 0.26 H new ATOM 0 HA GLN A 12 2.779 -12.971 0.294 1.00 0.30 H new ATOM 0 HB2 GLN A 12 4.714 -14.542 2.030 1.00 0.37 H new ATOM 0 HB3 GLN A 12 3.481 -15.409 1.136 1.00 0.37 H new ATOM 0 HG2 GLN A 12 5.077 -13.301 -0.336 1.00 0.72 H new ATOM 0 HG3 GLN A 12 5.864 -14.827 0.018 1.00 0.72 H new ATOM 0 HE21 GLN A 12 4.402 -16.868 -0.537 1.00 1.67 H new ATOM 0 HE22 GLN A 12 3.516 -16.761 -2.062 1.00 1.67 H new ATOM 203 N GLU A 13 2.153 -14.169 3.288 1.00 0.44 N ATOM 204 CA GLU A 13 1.013 -14.599 4.161 1.00 0.52 C ATOM 205 C GLU A 13 0.070 -13.425 4.439 1.00 0.44 C ATOM 206 O GLU A 13 -1.074 -13.621 4.797 1.00 0.39 O ATOM 207 CB GLU A 13 1.554 -15.150 5.484 1.00 0.81 C ATOM 208 CG GLU A 13 2.672 -14.244 5.997 1.00 0.80 C ATOM 209 CD GLU A 13 2.699 -14.291 7.526 1.00 1.54 C ATOM 210 OE1 GLU A 13 3.122 -15.319 8.030 1.00 1.29 O ATOM 211 OE2 GLU A 13 2.295 -13.295 8.105 1.00 2.55 O ATOM 0 H GLU A 13 3.084 -14.304 3.683 1.00 0.44 H new ATOM 0 HA GLU A 13 0.454 -15.378 3.642 1.00 0.52 H new ATOM 0 HB2 GLU A 13 0.752 -15.208 6.220 1.00 0.81 H new ATOM 0 HB3 GLU A 13 1.930 -16.163 5.341 1.00 0.81 H new ATOM 0 HG2 GLU A 13 3.632 -14.568 5.595 1.00 0.80 H new ATOM 0 HG3 GLU A 13 2.512 -13.221 5.656 1.00 0.80 H new ATOM 218 N ALA A 14 0.563 -12.229 4.268 1.00 0.48 N ATOM 219 CA ALA A 14 -0.310 -11.045 4.517 1.00 0.45 C ATOM 220 C ALA A 14 -1.342 -10.923 3.395 1.00 0.32 C ATOM 221 O ALA A 14 -2.456 -10.490 3.614 1.00 0.30 O ATOM 222 CB ALA A 14 0.553 -9.784 4.565 1.00 0.57 C ATOM 0 H ALA A 14 1.517 -12.021 3.972 1.00 0.48 H new ATOM 0 HA ALA A 14 -0.829 -11.166 5.468 1.00 0.45 H new ATOM 0 HB1 ALA A 14 -0.081 -8.916 4.747 1.00 0.57 H new ATOM 0 HB2 ALA A 14 1.284 -9.874 5.368 1.00 0.57 H new ATOM 0 HB3 ALA A 14 1.072 -9.662 3.614 1.00 0.57 H new ATOM 228 N LEU A 15 -0.944 -11.309 2.214 1.00 0.36 N ATOM 229 CA LEU A 15 -1.886 -11.237 1.061 1.00 0.30 C ATOM 230 C LEU A 15 -2.811 -12.455 1.079 1.00 0.28 C ATOM 231 O LEU A 15 -3.831 -12.476 0.421 1.00 0.29 O ATOM 232 CB LEU A 15 -1.076 -11.225 -0.241 1.00 0.34 C ATOM 233 CG LEU A 15 -0.290 -9.909 -0.348 1.00 0.29 C ATOM 234 CD1 LEU A 15 0.608 -9.963 -1.583 1.00 0.38 C ATOM 235 CD2 LEU A 15 -1.259 -8.728 -0.487 1.00 0.26 C ATOM 0 H LEU A 15 -0.014 -11.669 1.998 1.00 0.36 H new ATOM 0 HA LEU A 15 -2.488 -10.331 1.130 1.00 0.30 H new ATOM 0 HB2 LEU A 15 -0.391 -12.072 -0.262 1.00 0.34 H new ATOM 0 HB3 LEU A 15 -1.743 -11.333 -1.097 1.00 0.34 H new ATOM 0 HG LEU A 15 0.312 -9.777 0.551 1.00 0.29 H new ATOM 0 HD11 LEU A 15 1.169 -9.032 -1.666 1.00 0.38 H new ATOM 0 HD12 LEU A 15 1.302 -10.798 -1.492 1.00 0.38 H new ATOM 0 HD13 LEU A 15 -0.006 -10.097 -2.474 1.00 0.38 H new ATOM 0 HD21 LEU A 15 -0.693 -7.800 -0.562 1.00 0.26 H new ATOM 0 HD22 LEU A 15 -1.864 -8.858 -1.384 1.00 0.26 H new ATOM 0 HD23 LEU A 15 -1.910 -8.686 0.387 1.00 0.26 H new ATOM 247 N ASP A 16 -2.429 -13.443 1.838 1.00 0.39 N ATOM 248 CA ASP A 16 -3.268 -14.672 1.924 1.00 0.49 C ATOM 249 C ASP A 16 -4.193 -14.594 3.138 1.00 0.49 C ATOM 250 O ASP A 16 -5.181 -15.296 3.219 1.00 0.52 O ATOM 251 CB ASP A 16 -2.359 -15.893 2.050 1.00 0.67 C ATOM 252 CG ASP A 16 -3.008 -17.083 1.337 1.00 1.11 C ATOM 253 OD1 ASP A 16 -2.793 -17.179 0.140 1.00 2.01 O ATOM 254 OD2 ASP A 16 -3.681 -17.828 2.031 1.00 0.85 O ATOM 0 H ASP A 16 -1.578 -13.454 2.400 1.00 0.39 H new ATOM 0 HA ASP A 16 -3.876 -14.756 1.023 1.00 0.49 H new ATOM 0 HB2 ASP A 16 -1.383 -15.681 1.613 1.00 0.67 H new ATOM 0 HB3 ASP A 16 -2.193 -16.130 3.101 1.00 0.67 H new ATOM 259 N ALA A 17 -3.850 -13.738 4.058 1.00 0.47 N ATOM 260 CA ALA A 17 -4.698 -13.593 5.278 1.00 0.52 C ATOM 261 C ALA A 17 -5.662 -12.415 5.111 1.00 0.45 C ATOM 262 O ALA A 17 -6.552 -12.217 5.914 1.00 0.54 O ATOM 263 CB ALA A 17 -3.796 -13.345 6.487 1.00 0.59 C ATOM 0 H ALA A 17 -3.027 -13.136 4.022 1.00 0.47 H new ATOM 0 HA ALA A 17 -5.276 -14.505 5.426 1.00 0.52 H new ATOM 0 HB1 ALA A 17 -4.409 -13.238 7.382 1.00 0.59 H new ATOM 0 HB2 ALA A 17 -3.115 -14.187 6.612 1.00 0.59 H new ATOM 0 HB3 ALA A 17 -3.220 -12.433 6.330 1.00 0.59 H new ATOM 269 N ALA A 18 -5.462 -11.657 4.066 1.00 0.31 N ATOM 270 CA ALA A 18 -6.355 -10.486 3.827 1.00 0.26 C ATOM 271 C ALA A 18 -7.630 -10.932 3.102 1.00 0.22 C ATOM 272 O ALA A 18 -8.416 -10.115 2.665 1.00 0.22 O ATOM 273 CB ALA A 18 -5.614 -9.461 2.974 1.00 0.20 C ATOM 0 H ALA A 18 -4.726 -11.796 3.373 1.00 0.31 H new ATOM 0 HA ALA A 18 -6.632 -10.043 4.784 1.00 0.26 H new ATOM 0 HB1 ALA A 18 -6.260 -8.602 2.795 1.00 0.20 H new ATOM 0 HB2 ALA A 18 -4.714 -9.136 3.496 1.00 0.20 H new ATOM 0 HB3 ALA A 18 -5.338 -9.912 2.021 1.00 0.20 H new ATOM 279 N GLY A 19 -7.805 -12.220 2.988 1.00 0.22 N ATOM 280 CA GLY A 19 -9.021 -12.737 2.300 1.00 0.19 C ATOM 281 C GLY A 19 -8.938 -12.476 0.795 1.00 0.24 C ATOM 282 O GLY A 19 -8.077 -13.001 0.118 1.00 0.28 O ATOM 0 H GLY A 19 -7.164 -12.932 3.339 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.123 -13.806 2.484 1.00 0.19 H new ATOM 0 HA3 GLY A 19 -9.910 -12.257 2.710 1.00 0.19 H new ATOM 286 N ASP A 20 -9.841 -11.669 0.302 1.00 0.25 N ATOM 287 CA ASP A 20 -9.835 -11.366 -1.164 1.00 0.31 C ATOM 288 C ASP A 20 -10.201 -9.897 -1.416 1.00 0.33 C ATOM 289 O ASP A 20 -9.858 -9.342 -2.441 1.00 0.38 O ATOM 290 CB ASP A 20 -10.852 -12.268 -1.862 1.00 0.36 C ATOM 291 CG ASP A 20 -11.785 -12.883 -0.815 1.00 0.90 C ATOM 292 OD1 ASP A 20 -12.705 -12.179 -0.431 1.00 1.71 O ATOM 293 OD2 ASP A 20 -11.523 -14.019 -0.459 1.00 1.75 O ATOM 0 H ASP A 20 -10.575 -11.210 0.842 1.00 0.25 H new ATOM 0 HA ASP A 20 -8.835 -11.547 -1.559 1.00 0.31 H new ATOM 0 HB2 ASP A 20 -11.428 -11.693 -2.587 1.00 0.36 H new ATOM 0 HB3 ASP A 20 -10.339 -13.054 -2.415 1.00 0.36 H new ATOM 298 N LYS A 21 -10.897 -9.299 -0.483 1.00 0.38 N ATOM 299 CA LYS A 21 -11.285 -7.869 -0.667 1.00 0.43 C ATOM 300 C LYS A 21 -10.090 -7.060 -1.178 1.00 0.33 C ATOM 301 O LYS A 21 -8.974 -7.541 -1.197 1.00 0.34 O ATOM 302 CB LYS A 21 -11.754 -7.296 0.670 1.00 0.51 C ATOM 303 CG LYS A 21 -12.677 -8.304 1.354 1.00 0.57 C ATOM 304 CD LYS A 21 -11.908 -9.001 2.477 1.00 1.19 C ATOM 305 CE LYS A 21 -12.689 -10.234 2.932 1.00 1.85 C ATOM 306 NZ LYS A 21 -11.977 -10.911 4.051 1.00 2.66 N ATOM 0 H LYS A 21 -11.210 -9.732 0.386 1.00 0.38 H new ATOM 0 HA LYS A 21 -12.092 -7.809 -1.398 1.00 0.43 H new ATOM 0 HB2 LYS A 21 -10.896 -7.080 1.307 1.00 0.51 H new ATOM 0 HB3 LYS A 21 -12.279 -6.354 0.511 1.00 0.51 H new ATOM 0 HG2 LYS A 21 -13.555 -7.798 1.756 1.00 0.57 H new ATOM 0 HG3 LYS A 21 -13.035 -9.037 0.631 1.00 0.57 H new ATOM 0 HD2 LYS A 21 -10.917 -9.292 2.129 1.00 1.19 H new ATOM 0 HD3 LYS A 21 -11.764 -8.318 3.314 1.00 1.19 H new ATOM 0 HE2 LYS A 21 -13.689 -9.942 3.252 1.00 1.85 H new ATOM 0 HE3 LYS A 21 -12.810 -10.925 2.098 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 -12.217 -11.923 4.054 1.00 2.66 H new ATOM 0 HZ2 LYS A 21 -10.950 -10.799 3.927 1.00 2.66 H new ATOM 0 HZ3 LYS A 21 -12.265 -10.484 4.955 1.00 2.66 H new ATOM 320 N LEU A 22 -10.348 -5.848 -1.575 1.00 0.22 N ATOM 321 CA LEU A 22 -9.242 -4.997 -2.098 1.00 0.15 C ATOM 322 C LEU A 22 -8.076 -4.950 -1.103 1.00 0.21 C ATOM 323 O LEU A 22 -8.276 -4.794 0.086 1.00 0.25 O ATOM 324 CB LEU A 22 -9.768 -3.582 -2.318 1.00 0.13 C ATOM 325 CG LEU A 22 -9.362 -3.097 -3.712 1.00 0.42 C ATOM 326 CD1 LEU A 22 -10.189 -3.838 -4.770 1.00 1.24 C ATOM 327 CD2 LEU A 22 -9.630 -1.591 -3.811 1.00 1.23 C ATOM 0 H LEU A 22 -11.269 -5.410 -1.561 1.00 0.22 H new ATOM 0 HA LEU A 22 -8.884 -5.421 -3.036 1.00 0.15 H new ATOM 0 HB2 LEU A 22 -10.853 -3.566 -2.218 1.00 0.13 H new ATOM 0 HB3 LEU A 22 -9.368 -2.912 -1.557 1.00 0.13 H new ATOM 0 HG LEU A 22 -8.303 -3.294 -3.881 1.00 0.42 H new ATOM 0 HD11 LEU A 22 -9.901 -3.494 -5.763 1.00 1.24 H new ATOM 0 HD12 LEU A 22 -10.006 -4.910 -4.690 1.00 1.24 H new ATOM 0 HD13 LEU A 22 -11.248 -3.638 -4.609 1.00 1.24 H new ATOM 0 HD21 LEU A 22 -9.344 -1.235 -4.801 1.00 1.23 H new ATOM 0 HD22 LEU A 22 -10.691 -1.399 -3.649 1.00 1.23 H new ATOM 0 HD23 LEU A 22 -9.046 -1.067 -3.054 1.00 1.23 H new ATOM 339 N VAL A 23 -6.882 -5.088 -1.622 1.00 0.22 N ATOM 340 CA VAL A 23 -5.672 -5.036 -0.744 1.00 0.27 C ATOM 341 C VAL A 23 -4.679 -4.032 -1.335 1.00 0.29 C ATOM 342 O VAL A 23 -3.927 -4.355 -2.234 1.00 0.30 O ATOM 343 CB VAL A 23 -5.027 -6.427 -0.680 1.00 0.28 C ATOM 344 CG1 VAL A 23 -3.986 -6.447 0.441 1.00 0.22 C ATOM 345 CG2 VAL A 23 -6.102 -7.476 -0.382 1.00 0.36 C ATOM 0 H VAL A 23 -6.692 -5.234 -2.613 1.00 0.22 H new ATOM 0 HA VAL A 23 -5.953 -4.728 0.263 1.00 0.27 H new ATOM 0 HB VAL A 23 -4.551 -6.651 -1.634 1.00 0.28 H new ATOM 0 HG11 VAL A 23 -3.524 -7.433 0.491 1.00 0.22 H new ATOM 0 HG12 VAL A 23 -3.220 -5.698 0.240 1.00 0.22 H new ATOM 0 HG13 VAL A 23 -4.471 -6.224 1.392 1.00 0.22 H new ATOM 0 HG21 VAL A 23 -5.644 -8.464 -0.337 1.00 0.36 H new ATOM 0 HG22 VAL A 23 -6.575 -7.251 0.574 1.00 0.36 H new ATOM 0 HG23 VAL A 23 -6.854 -7.461 -1.171 1.00 0.36 H new ATOM 355 N VAL A 24 -4.697 -2.834 -0.817 1.00 0.30 N ATOM 356 CA VAL A 24 -3.781 -1.790 -1.361 1.00 0.33 C ATOM 357 C VAL A 24 -2.480 -1.733 -0.548 1.00 0.42 C ATOM 358 O VAL A 24 -2.470 -2.044 0.627 1.00 0.78 O ATOM 359 CB VAL A 24 -4.494 -0.438 -1.296 1.00 0.36 C ATOM 360 CG1 VAL A 24 -3.583 0.649 -1.865 1.00 0.37 C ATOM 361 CG2 VAL A 24 -5.777 -0.508 -2.130 1.00 0.32 C ATOM 0 H VAL A 24 -5.299 -2.535 -0.050 1.00 0.30 H new ATOM 0 HA VAL A 24 -3.525 -2.033 -2.392 1.00 0.33 H new ATOM 0 HB VAL A 24 -4.737 -0.202 -0.260 1.00 0.36 H new ATOM 0 HG11 VAL A 24 -4.092 1.612 -1.818 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -2.664 0.696 -1.281 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -3.342 0.416 -2.902 1.00 0.37 H new ATOM 0 HG21 VAL A 24 -6.291 0.452 -2.088 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -5.526 -0.741 -3.165 1.00 0.32 H new ATOM 0 HG23 VAL A 24 -6.428 -1.286 -1.731 1.00 0.32 H new ATOM 371 N VAL A 25 -1.410 -1.336 -1.200 1.00 0.15 N ATOM 372 CA VAL A 25 -0.093 -1.246 -0.488 1.00 0.18 C ATOM 373 C VAL A 25 0.522 0.138 -0.682 1.00 0.21 C ATOM 374 O VAL A 25 0.564 0.650 -1.783 1.00 0.40 O ATOM 375 CB VAL A 25 0.876 -2.285 -1.060 1.00 0.17 C ATOM 376 CG1 VAL A 25 2.180 -2.242 -0.262 1.00 0.20 C ATOM 377 CG2 VAL A 25 0.276 -3.685 -0.952 1.00 0.19 C ATOM 0 H VAL A 25 -1.391 -1.073 -2.185 1.00 0.15 H new ATOM 0 HA VAL A 25 -0.264 -1.429 0.573 1.00 0.18 H new ATOM 0 HB VAL A 25 1.064 -2.057 -2.109 1.00 0.17 H new ATOM 0 HG11 VAL A 25 2.876 -2.979 -0.663 1.00 0.20 H new ATOM 0 HG12 VAL A 25 2.620 -1.248 -0.338 1.00 0.20 H new ATOM 0 HG13 VAL A 25 1.974 -2.469 0.784 1.00 0.20 H new ATOM 0 HG21 VAL A 25 0.976 -4.413 -1.362 1.00 0.19 H new ATOM 0 HG22 VAL A 25 0.082 -3.918 0.095 1.00 0.19 H new ATOM 0 HG23 VAL A 25 -0.659 -3.724 -1.512 1.00 0.19 H new ATOM 387 N ASP A 26 0.990 0.713 0.395 1.00 0.24 N ATOM 388 CA ASP A 26 1.627 2.060 0.287 1.00 0.23 C ATOM 389 C ASP A 26 3.155 1.921 0.324 1.00 0.20 C ATOM 390 O ASP A 26 3.753 1.885 1.381 1.00 0.22 O ATOM 391 CB ASP A 26 1.171 2.923 1.459 1.00 0.24 C ATOM 392 CG ASP A 26 2.002 4.207 1.499 1.00 0.35 C ATOM 393 OD1 ASP A 26 1.953 4.914 0.506 1.00 0.61 O ATOM 394 OD2 ASP A 26 2.639 4.408 2.519 1.00 1.40 O ATOM 0 H ASP A 26 0.960 0.315 1.334 1.00 0.24 H new ATOM 0 HA ASP A 26 1.333 2.524 -0.654 1.00 0.23 H new ATOM 0 HB2 ASP A 26 0.113 3.165 1.357 1.00 0.24 H new ATOM 0 HB3 ASP A 26 1.284 2.375 2.394 1.00 0.24 H new ATOM 399 N PHE A 27 3.751 1.839 -0.834 1.00 0.18 N ATOM 400 CA PHE A 27 5.238 1.707 -0.888 1.00 0.16 C ATOM 401 C PHE A 27 5.892 3.086 -0.743 1.00 0.14 C ATOM 402 O PHE A 27 6.006 3.824 -1.701 1.00 0.16 O ATOM 403 CB PHE A 27 5.635 1.098 -2.231 1.00 0.16 C ATOM 404 CG PHE A 27 5.327 -0.403 -2.232 1.00 0.14 C ATOM 405 CD1 PHE A 27 6.206 -1.300 -1.645 1.00 0.15 C ATOM 406 CD2 PHE A 27 4.167 -0.888 -2.820 1.00 0.11 C ATOM 407 CE1 PHE A 27 5.935 -2.650 -1.651 1.00 0.13 C ATOM 408 CE2 PHE A 27 3.904 -2.247 -2.819 1.00 0.08 C ATOM 409 CZ PHE A 27 4.787 -3.122 -2.236 1.00 0.09 C ATOM 0 H PHE A 27 3.280 1.857 -1.738 1.00 0.18 H new ATOM 0 HA PHE A 27 5.574 1.066 -0.073 1.00 0.16 H new ATOM 0 HB2 PHE A 27 5.093 1.590 -3.038 1.00 0.16 H new ATOM 0 HB3 PHE A 27 6.697 1.261 -2.415 1.00 0.16 H new ATOM 0 HD1 PHE A 27 7.110 -0.937 -1.179 1.00 0.15 H new ATOM 0 HD2 PHE A 27 3.469 -0.204 -3.279 1.00 0.11 H new ATOM 0 HE1 PHE A 27 6.629 -3.340 -1.194 1.00 0.13 H new ATOM 0 HE2 PHE A 27 3.001 -2.620 -3.279 1.00 0.08 H new ATOM 0 HZ PHE A 27 4.578 -4.182 -2.238 1.00 0.09 H new ATOM 419 N SER A 28 6.308 3.406 0.453 1.00 0.12 N ATOM 420 CA SER A 28 6.953 4.734 0.672 1.00 0.11 C ATOM 421 C SER A 28 8.027 4.635 1.762 1.00 0.14 C ATOM 422 O SER A 28 8.226 3.590 2.350 1.00 0.27 O ATOM 423 CB SER A 28 5.889 5.742 1.099 1.00 0.12 C ATOM 424 OG SER A 28 5.757 5.535 2.498 1.00 0.86 O ATOM 0 H SER A 28 6.231 2.813 1.280 1.00 0.12 H new ATOM 0 HA SER A 28 7.425 5.057 -0.256 1.00 0.11 H new ATOM 0 HB2 SER A 28 6.195 6.764 0.874 1.00 0.12 H new ATOM 0 HB3 SER A 28 4.946 5.570 0.580 1.00 0.12 H new ATOM 0 HG SER A 28 4.872 5.161 2.691 1.00 0.86 H new ATOM 430 N ALA A 29 8.696 5.731 2.008 1.00 0.14 N ATOM 431 CA ALA A 29 9.762 5.723 3.055 1.00 0.16 C ATOM 432 C ALA A 29 9.202 6.215 4.394 1.00 0.16 C ATOM 433 O ALA A 29 8.428 7.151 4.439 1.00 0.17 O ATOM 434 CB ALA A 29 10.900 6.640 2.613 1.00 0.19 C ATOM 0 H ALA A 29 8.553 6.623 1.535 1.00 0.14 H new ATOM 0 HA ALA A 29 10.128 4.704 3.183 1.00 0.16 H new ATOM 0 HB1 ALA A 29 11.683 6.640 3.372 1.00 0.19 H new ATOM 0 HB2 ALA A 29 11.310 6.282 1.669 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.521 7.654 2.483 1.00 0.19 H new ATOM 440 N THR A 30 9.609 5.572 5.456 1.00 0.26 N ATOM 441 CA THR A 30 9.112 5.987 6.801 1.00 0.27 C ATOM 442 C THR A 30 10.136 6.896 7.484 1.00 0.27 C ATOM 443 O THR A 30 9.796 7.705 8.326 1.00 0.26 O ATOM 444 CB THR A 30 8.883 4.737 7.657 1.00 0.25 C ATOM 445 OG1 THR A 30 8.048 5.174 8.723 1.00 0.23 O ATOM 446 CG2 THR A 30 10.174 4.268 8.322 1.00 0.28 C ATOM 0 H THR A 30 10.258 4.785 5.452 1.00 0.26 H new ATOM 0 HA THR A 30 8.177 6.535 6.687 1.00 0.27 H new ATOM 0 HB THR A 30 8.481 3.934 7.040 1.00 0.25 H new ATOM 0 HG1 THR A 30 7.855 4.420 9.318 1.00 0.23 H new ATOM 0 HG21 THR A 30 9.973 3.380 8.921 1.00 0.28 H new ATOM 0 HG22 THR A 30 10.912 4.030 7.556 1.00 0.28 H new ATOM 0 HG23 THR A 30 10.560 5.059 8.965 1.00 0.28 H new ATOM 454 N TRP A 31 11.369 6.740 7.103 1.00 0.33 N ATOM 455 CA TRP A 31 12.445 7.580 7.704 1.00 0.34 C ATOM 456 C TRP A 31 12.381 9.001 7.135 1.00 0.33 C ATOM 457 O TRP A 31 12.475 9.971 7.861 1.00 0.37 O ATOM 458 CB TRP A 31 13.787 6.959 7.341 1.00 0.37 C ATOM 459 CG TRP A 31 13.826 6.759 5.825 1.00 0.34 C ATOM 460 CD1 TRP A 31 13.371 5.674 5.207 1.00 0.32 C ATOM 461 CD2 TRP A 31 14.263 7.653 4.951 1.00 0.35 C ATOM 462 NE1 TRP A 31 13.553 5.950 3.907 1.00 0.33 N ATOM 463 CE2 TRP A 31 14.110 7.183 3.660 1.00 0.36 C ATOM 464 CE3 TRP A 31 14.799 8.919 5.155 1.00 0.37 C ATOM 465 CZ2 TRP A 31 14.483 7.961 2.589 1.00 0.40 C ATOM 466 CZ3 TRP A 31 15.172 9.693 4.077 1.00 0.41 C ATOM 467 CH2 TRP A 31 15.014 9.215 2.796 1.00 0.43 C ATOM 0 H TRP A 31 11.682 6.068 6.402 1.00 0.33 H new ATOM 0 HA TRP A 31 12.319 7.626 8.786 1.00 0.34 H new ATOM 0 HB2 TRP A 31 14.604 7.606 7.660 1.00 0.37 H new ATOM 0 HB3 TRP A 31 13.916 6.006 7.854 1.00 0.37 H new ATOM 0 HD1 TRP A 31 12.953 4.781 5.648 1.00 0.32 H new ATOM 0 HE1 TRP A 31 13.299 5.299 3.163 1.00 0.33 H new ATOM 0 HE3 TRP A 31 14.923 9.297 6.159 1.00 0.37 H new ATOM 0 HZ2 TRP A 31 14.359 7.588 1.583 1.00 0.40 H new ATOM 0 HZ3 TRP A 31 15.589 10.676 4.238 1.00 0.41 H new ATOM 0 HH2 TRP A 31 15.306 9.823 1.953 1.00 0.43 H new ATOM 478 N CYS A 32 12.219 9.088 5.844 1.00 0.31 N ATOM 479 CA CYS A 32 12.157 10.427 5.195 1.00 0.31 C ATOM 480 C CYS A 32 11.084 11.295 5.860 1.00 0.31 C ATOM 481 O CYS A 32 10.352 10.835 6.715 1.00 0.39 O ATOM 482 CB CYS A 32 11.823 10.248 3.720 1.00 0.31 C ATOM 483 SG CYS A 32 12.054 11.681 2.640 1.00 0.63 S ATOM 0 H CYS A 32 12.127 8.293 5.212 1.00 0.31 H new ATOM 0 HA CYS A 32 13.122 10.922 5.303 1.00 0.31 H new ATOM 0 HB2 CYS A 32 12.432 9.431 3.332 1.00 0.31 H new ATOM 0 HB3 CYS A 32 10.782 9.933 3.645 1.00 0.31 H new ATOM 0 HG CYS A 32 11.679 11.379 1.432 1.00 0.63 H new ATOM 489 N GLY A 33 11.015 12.534 5.444 1.00 0.33 N ATOM 490 CA GLY A 33 10.001 13.461 6.037 1.00 0.32 C ATOM 491 C GLY A 33 8.809 13.672 5.083 1.00 0.27 C ATOM 492 O GLY A 33 7.720 13.197 5.334 1.00 0.21 O ATOM 0 H GLY A 33 11.612 12.943 4.725 1.00 0.33 H new ATOM 0 HA2 GLY A 33 9.644 13.055 6.984 1.00 0.32 H new ATOM 0 HA3 GLY A 33 10.468 14.421 6.257 1.00 0.32 H new ATOM 496 N PRO A 34 9.050 14.387 4.001 1.00 0.28 N ATOM 497 CA PRO A 34 8.001 14.672 3.010 1.00 0.26 C ATOM 498 C PRO A 34 7.250 13.399 2.604 1.00 0.22 C ATOM 499 O PRO A 34 6.080 13.448 2.277 1.00 0.21 O ATOM 500 CB PRO A 34 8.740 15.272 1.810 1.00 0.31 C ATOM 501 CG PRO A 34 10.214 15.524 2.256 1.00 0.36 C ATOM 502 CD PRO A 34 10.372 14.945 3.675 1.00 0.35 C ATOM 0 HA PRO A 34 7.246 15.349 3.411 1.00 0.26 H new ATOM 0 HB2 PRO A 34 8.706 14.593 0.958 1.00 0.31 H new ATOM 0 HB3 PRO A 34 8.269 16.203 1.494 1.00 0.31 H new ATOM 0 HG2 PRO A 34 10.910 15.046 1.567 1.00 0.36 H new ATOM 0 HG3 PRO A 34 10.440 16.590 2.249 1.00 0.36 H new ATOM 0 HD2 PRO A 34 11.144 14.177 3.705 1.00 0.35 H new ATOM 0 HD3 PRO A 34 10.662 15.717 4.387 1.00 0.35 H new ATOM 510 N CYS A 35 7.929 12.285 2.632 1.00 0.25 N ATOM 511 CA CYS A 35 7.246 11.017 2.246 1.00 0.22 C ATOM 512 C CYS A 35 6.215 10.628 3.311 1.00 0.20 C ATOM 513 O CYS A 35 5.065 10.390 3.001 1.00 0.40 O ATOM 514 CB CYS A 35 8.279 9.903 2.106 1.00 0.24 C ATOM 515 SG CYS A 35 9.788 10.280 1.181 1.00 0.42 S ATOM 0 H CYS A 35 8.909 12.197 2.900 1.00 0.25 H new ATOM 0 HA CYS A 35 6.736 11.165 1.294 1.00 0.22 H new ATOM 0 HB2 CYS A 35 8.568 9.584 3.107 1.00 0.24 H new ATOM 0 HB3 CYS A 35 7.794 9.052 1.628 1.00 0.24 H new ATOM 0 HG CYS A 35 10.638 10.877 1.962 1.00 0.42 H new ATOM 521 N LYS A 36 6.646 10.570 4.546 1.00 0.20 N ATOM 522 CA LYS A 36 5.689 10.198 5.624 1.00 0.22 C ATOM 523 C LYS A 36 4.704 11.352 5.851 1.00 0.22 C ATOM 524 O LYS A 36 3.850 11.284 6.710 1.00 0.20 O ATOM 525 CB LYS A 36 6.459 9.914 6.922 1.00 0.19 C ATOM 526 CG LYS A 36 5.551 9.138 7.893 1.00 0.43 C ATOM 527 CD LYS A 36 5.648 9.739 9.295 1.00 0.71 C ATOM 528 CE LYS A 36 7.085 9.601 9.805 1.00 0.70 C ATOM 529 NZ LYS A 36 7.113 8.843 11.089 1.00 1.11 N ATOM 0 H LYS A 36 7.601 10.761 4.848 1.00 0.20 H new ATOM 0 HA LYS A 36 5.140 9.304 5.330 1.00 0.22 H new ATOM 0 HB2 LYS A 36 7.358 9.336 6.706 1.00 0.19 H new ATOM 0 HB3 LYS A 36 6.783 10.849 7.378 1.00 0.19 H new ATOM 0 HG2 LYS A 36 4.519 9.173 7.544 1.00 0.43 H new ATOM 0 HG3 LYS A 36 5.844 8.088 7.917 1.00 0.43 H new ATOM 0 HD2 LYS A 36 5.356 10.789 9.274 1.00 0.71 H new ATOM 0 HD3 LYS A 36 4.960 9.230 9.970 1.00 0.71 H new ATOM 0 HE2 LYS A 36 7.694 9.089 9.060 1.00 0.70 H new ATOM 0 HE3 LYS A 36 7.522 10.589 9.949 1.00 0.70 H new ATOM 0 HZ1 LYS A 36 8.095 8.759 11.421 1.00 1.11 H new ATOM 0 HZ2 LYS A 36 6.549 9.347 11.802 1.00 1.11 H new ATOM 0 HZ3 LYS A 36 6.715 7.894 10.940 1.00 1.11 H new ATOM 543 N MET A 37 4.854 12.395 5.070 1.00 0.32 N ATOM 544 CA MET A 37 3.934 13.565 5.218 1.00 0.35 C ATOM 545 C MET A 37 2.611 13.283 4.499 1.00 0.43 C ATOM 546 O MET A 37 1.586 13.844 4.834 1.00 0.46 O ATOM 547 CB MET A 37 4.594 14.803 4.614 1.00 0.28 C ATOM 548 CG MET A 37 3.858 16.053 5.100 1.00 0.46 C ATOM 549 SD MET A 37 3.825 17.483 3.991 1.00 1.48 S ATOM 550 CE MET A 37 3.666 18.756 5.266 1.00 0.99 C ATOM 0 H MET A 37 5.565 12.486 4.345 1.00 0.32 H new ATOM 0 HA MET A 37 3.733 13.736 6.275 1.00 0.35 H new ATOM 0 HB2 MET A 37 5.644 14.848 4.904 1.00 0.28 H new ATOM 0 HB3 MET A 37 4.566 14.750 3.526 1.00 0.28 H new ATOM 0 HG2 MET A 37 2.828 15.773 5.320 1.00 0.46 H new ATOM 0 HG3 MET A 37 4.311 16.366 6.041 1.00 0.46 H new ATOM 0 HE1 MET A 37 3.627 19.739 4.796 1.00 0.99 H new ATOM 0 HE2 MET A 37 2.751 18.589 5.835 1.00 0.99 H new ATOM 0 HE3 MET A 37 4.524 18.709 5.936 1.00 0.99 H new ATOM 560 N ILE A 38 2.667 12.426 3.517 1.00 0.47 N ATOM 561 CA ILE A 38 1.416 12.072 2.777 1.00 0.54 C ATOM 562 C ILE A 38 0.818 10.794 3.378 1.00 0.64 C ATOM 563 O ILE A 38 -0.205 10.312 2.947 1.00 0.56 O ATOM 564 CB ILE A 38 1.749 11.857 1.296 1.00 0.55 C ATOM 565 CG1 ILE A 38 2.016 13.228 0.651 1.00 0.47 C ATOM 566 CG2 ILE A 38 0.557 11.182 0.596 1.00 0.62 C ATOM 567 CD1 ILE A 38 2.510 13.047 -0.790 1.00 1.67 C ATOM 0 H ILE A 38 3.514 11.958 3.195 1.00 0.47 H new ATOM 0 HA ILE A 38 0.689 12.879 2.864 1.00 0.54 H new ATOM 0 HB ILE A 38 2.628 11.220 1.197 1.00 0.55 H new ATOM 0 HG12 ILE A 38 1.104 13.826 0.659 1.00 0.47 H new ATOM 0 HG13 ILE A 38 2.759 13.773 1.232 1.00 0.47 H new ATOM 0 HG21 ILE A 38 0.793 11.029 -0.457 1.00 0.62 H new ATOM 0 HG22 ILE A 38 0.356 10.220 1.067 1.00 0.62 H new ATOM 0 HG23 ILE A 38 -0.323 11.819 0.682 1.00 0.62 H new ATOM 0 HD11 ILE A 38 2.696 14.024 -1.236 1.00 1.67 H new ATOM 0 HD12 ILE A 38 3.433 12.468 -0.788 1.00 1.67 H new ATOM 0 HD13 ILE A 38 1.753 12.521 -1.371 1.00 1.67 H new ATOM 579 N LYS A 39 1.477 10.276 4.370 1.00 0.86 N ATOM 580 CA LYS A 39 0.967 9.046 5.025 1.00 0.96 C ATOM 581 C LYS A 39 -0.350 9.314 5.794 1.00 0.85 C ATOM 582 O LYS A 39 -1.291 8.565 5.659 1.00 0.81 O ATOM 583 CB LYS A 39 2.023 8.518 5.982 1.00 1.19 C ATOM 584 CG LYS A 39 2.404 7.094 5.569 1.00 1.96 C ATOM 585 CD LYS A 39 3.504 6.578 6.497 1.00 2.24 C ATOM 586 CE LYS A 39 3.815 5.119 6.155 1.00 3.03 C ATOM 587 NZ LYS A 39 4.521 4.459 7.288 1.00 2.98 N ATOM 0 H LYS A 39 2.344 10.649 4.755 1.00 0.86 H new ATOM 0 HA LYS A 39 0.755 8.307 4.252 1.00 0.96 H new ATOM 0 HB2 LYS A 39 2.902 9.163 5.965 1.00 1.19 H new ATOM 0 HB3 LYS A 39 1.642 8.524 7.003 1.00 1.19 H new ATOM 0 HG2 LYS A 39 1.532 6.442 5.621 1.00 1.96 H new ATOM 0 HG3 LYS A 39 2.749 7.083 4.535 1.00 1.96 H new ATOM 0 HD2 LYS A 39 4.401 7.187 6.389 1.00 2.24 H new ATOM 0 HD3 LYS A 39 3.186 6.660 7.536 1.00 2.24 H new ATOM 0 HE2 LYS A 39 2.890 4.586 5.934 1.00 3.03 H new ATOM 0 HE3 LYS A 39 4.432 5.073 5.257 1.00 3.03 H new ATOM 0 HZ1 LYS A 39 4.725 3.470 7.041 1.00 2.98 H new ATOM 0 HZ2 LYS A 39 5.413 4.959 7.480 1.00 2.98 H new ATOM 0 HZ3 LYS A 39 3.919 4.487 8.136 1.00 2.98 H new ATOM 601 N PRO A 40 -0.399 10.383 6.588 1.00 0.86 N ATOM 602 CA PRO A 40 -1.609 10.697 7.359 1.00 0.83 C ATOM 603 C PRO A 40 -2.836 10.749 6.442 1.00 0.65 C ATOM 604 O PRO A 40 -3.957 10.844 6.904 1.00 0.71 O ATOM 605 CB PRO A 40 -1.332 12.054 8.011 1.00 0.93 C ATOM 606 CG PRO A 40 0.179 12.358 7.796 1.00 1.02 C ATOM 607 CD PRO A 40 0.703 11.345 6.763 1.00 0.95 C ATOM 0 HA PRO A 40 -1.829 9.937 8.109 1.00 0.83 H new ATOM 0 HB2 PRO A 40 -1.950 12.832 7.562 1.00 0.93 H new ATOM 0 HB3 PRO A 40 -1.574 12.029 9.074 1.00 0.93 H new ATOM 0 HG2 PRO A 40 0.319 13.379 7.440 1.00 1.02 H new ATOM 0 HG3 PRO A 40 0.727 12.269 8.734 1.00 1.02 H new ATOM 0 HD2 PRO A 40 0.955 11.834 5.822 1.00 0.95 H new ATOM 0 HD3 PRO A 40 1.607 10.850 7.117 1.00 0.95 H new ATOM 615 N PHE A 41 -2.595 10.685 5.159 1.00 0.47 N ATOM 616 CA PHE A 41 -3.733 10.701 4.195 1.00 0.27 C ATOM 617 C PHE A 41 -4.113 9.255 3.848 1.00 0.21 C ATOM 618 O PHE A 41 -5.276 8.908 3.796 1.00 0.14 O ATOM 619 CB PHE A 41 -3.316 11.458 2.931 1.00 0.20 C ATOM 620 CG PHE A 41 -3.313 12.959 3.224 1.00 0.19 C ATOM 621 CD1 PHE A 41 -2.233 13.548 3.861 1.00 0.28 C ATOM 622 CD2 PHE A 41 -4.388 13.748 2.855 1.00 0.13 C ATOM 623 CE1 PHE A 41 -2.233 14.902 4.125 1.00 0.29 C ATOM 624 CE2 PHE A 41 -4.384 15.102 3.120 1.00 0.17 C ATOM 625 CZ PHE A 41 -3.307 15.678 3.755 1.00 0.24 C ATOM 0 H PHE A 41 -1.667 10.623 4.740 1.00 0.47 H new ATOM 0 HA PHE A 41 -4.594 11.202 4.638 1.00 0.27 H new ATOM 0 HB2 PHE A 41 -2.326 11.136 2.609 1.00 0.20 H new ATOM 0 HB3 PHE A 41 -4.004 11.236 2.115 1.00 0.20 H new ATOM 0 HD1 PHE A 41 -1.387 12.944 4.152 1.00 0.28 H new ATOM 0 HD2 PHE A 41 -5.235 13.301 2.356 1.00 0.13 H new ATOM 0 HE1 PHE A 41 -1.388 15.354 4.623 1.00 0.29 H new ATOM 0 HE2 PHE A 41 -5.227 15.711 2.829 1.00 0.17 H new ATOM 0 HZ PHE A 41 -3.305 16.738 3.962 1.00 0.24 H new ATOM 635 N PHE A 42 -3.113 8.443 3.618 1.00 0.24 N ATOM 636 CA PHE A 42 -3.381 7.007 3.300 1.00 0.22 C ATOM 637 C PHE A 42 -3.521 6.218 4.607 1.00 0.21 C ATOM 638 O PHE A 42 -3.937 5.077 4.613 1.00 0.40 O ATOM 639 CB PHE A 42 -2.208 6.442 2.496 1.00 0.32 C ATOM 640 CG PHE A 42 -2.371 4.925 2.350 1.00 0.29 C ATOM 641 CD1 PHE A 42 -3.249 4.403 1.420 1.00 0.31 C ATOM 642 CD2 PHE A 42 -1.639 4.052 3.147 1.00 0.25 C ATOM 643 CE1 PHE A 42 -3.398 3.041 1.285 1.00 0.32 C ATOM 644 CE2 PHE A 42 -1.792 2.688 3.010 1.00 0.27 C ATOM 645 CZ PHE A 42 -2.670 2.183 2.079 1.00 0.31 C ATOM 0 H PHE A 42 -2.129 8.709 3.636 1.00 0.24 H new ATOM 0 HA PHE A 42 -4.300 6.925 2.720 1.00 0.22 H new ATOM 0 HB2 PHE A 42 -2.168 6.910 1.513 1.00 0.32 H new ATOM 0 HB3 PHE A 42 -1.267 6.671 2.996 1.00 0.32 H new ATOM 0 HD1 PHE A 42 -3.824 5.069 0.793 1.00 0.31 H new ATOM 0 HD2 PHE A 42 -0.947 4.444 3.877 1.00 0.25 H new ATOM 0 HE1 PHE A 42 -4.088 2.644 0.555 1.00 0.32 H new ATOM 0 HE2 PHE A 42 -1.222 2.016 3.634 1.00 0.27 H new ATOM 0 HZ PHE A 42 -2.788 1.115 1.971 1.00 0.31 H new ATOM 655 N HIS A 43 -3.165 6.861 5.684 1.00 0.21 N ATOM 656 CA HIS A 43 -3.240 6.194 7.016 1.00 0.19 C ATOM 657 C HIS A 43 -4.648 6.348 7.608 1.00 0.33 C ATOM 658 O HIS A 43 -5.146 5.463 8.275 1.00 0.64 O ATOM 659 CB HIS A 43 -2.216 6.854 7.944 1.00 0.37 C ATOM 660 CG HIS A 43 -1.971 5.970 9.164 1.00 0.38 C ATOM 661 ND1 HIS A 43 -2.771 5.109 9.598 1.00 0.35 N ATOM 662 CD2 HIS A 43 -0.876 5.917 10.014 1.00 0.43 C ATOM 663 CE1 HIS A 43 -2.308 4.522 10.623 1.00 0.40 C ATOM 664 NE2 HIS A 43 -1.098 4.973 10.964 1.00 0.45 N ATOM 0 H HIS A 43 -2.824 7.822 5.700 1.00 0.21 H new ATOM 0 HA HIS A 43 -3.025 5.131 6.909 1.00 0.19 H new ATOM 0 HB2 HIS A 43 -1.280 7.017 7.409 1.00 0.37 H new ATOM 0 HB3 HIS A 43 -2.577 7.833 8.260 1.00 0.37 H new ATOM 0 HD1 HIS A 43 -3.679 4.906 9.180 1.00 0.35 H new ATOM 0 HD2 HIS A 43 0.011 6.528 9.933 1.00 0.43 H new ATOM 0 HE1 HIS A 43 -2.833 3.745 11.159 1.00 0.40 H new ATOM 672 N SER A 44 -5.259 7.477 7.349 1.00 0.22 N ATOM 673 CA SER A 44 -6.630 7.717 7.895 1.00 0.33 C ATOM 674 C SER A 44 -7.639 6.749 7.272 1.00 0.34 C ATOM 675 O SER A 44 -8.725 6.565 7.785 1.00 0.48 O ATOM 676 CB SER A 44 -7.049 9.154 7.583 1.00 0.47 C ATOM 677 OG SER A 44 -6.006 9.947 8.129 1.00 0.92 O ATOM 0 H SER A 44 -4.872 8.236 6.788 1.00 0.22 H new ATOM 0 HA SER A 44 -6.612 7.555 8.973 1.00 0.33 H new ATOM 0 HB2 SER A 44 -7.152 9.315 6.510 1.00 0.47 H new ATOM 0 HB3 SER A 44 -8.011 9.395 8.035 1.00 0.47 H new ATOM 0 HG SER A 44 -5.502 10.369 7.403 1.00 0.92 H new ATOM 683 N LEU A 45 -7.262 6.151 6.182 1.00 0.24 N ATOM 684 CA LEU A 45 -8.191 5.192 5.515 1.00 0.36 C ATOM 685 C LEU A 45 -8.452 3.995 6.433 1.00 0.26 C ATOM 686 O LEU A 45 -9.294 3.165 6.155 1.00 0.36 O ATOM 687 CB LEU A 45 -7.561 4.705 4.211 1.00 0.49 C ATOM 688 CG LEU A 45 -7.150 5.913 3.363 1.00 0.56 C ATOM 689 CD1 LEU A 45 -6.523 5.420 2.058 1.00 0.75 C ATOM 690 CD2 LEU A 45 -8.388 6.753 3.040 1.00 0.59 C ATOM 0 H LEU A 45 -6.360 6.280 5.724 1.00 0.24 H new ATOM 0 HA LEU A 45 -9.136 5.693 5.304 1.00 0.36 H new ATOM 0 HB2 LEU A 45 -6.691 4.083 4.424 1.00 0.49 H new ATOM 0 HB3 LEU A 45 -8.269 4.085 3.661 1.00 0.49 H new ATOM 0 HG LEU A 45 -6.431 6.519 3.914 1.00 0.56 H new ATOM 0 HD11 LEU A 45 -6.228 6.275 1.450 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.645 4.814 2.282 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -7.248 4.818 1.510 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -8.097 7.613 2.437 1.00 0.59 H new ATOM 0 HD22 LEU A 45 -9.105 6.147 2.486 1.00 0.59 H new ATOM 0 HD23 LEU A 45 -8.845 7.098 3.967 1.00 0.59 H new ATOM 702 N SER A 46 -7.719 3.938 7.509 1.00 0.17 N ATOM 703 CA SER A 46 -7.900 2.806 8.463 1.00 0.23 C ATOM 704 C SER A 46 -9.353 2.742 8.953 1.00 0.31 C ATOM 705 O SER A 46 -10.002 1.721 8.845 1.00 0.61 O ATOM 706 CB SER A 46 -6.972 3.013 9.660 1.00 0.46 C ATOM 707 OG SER A 46 -7.522 2.184 10.672 1.00 1.05 O ATOM 0 H SER A 46 -7.007 4.620 7.769 1.00 0.17 H new ATOM 0 HA SER A 46 -7.661 1.871 7.956 1.00 0.23 H new ATOM 0 HB2 SER A 46 -5.947 2.727 9.424 1.00 0.46 H new ATOM 0 HB3 SER A 46 -6.948 4.058 9.970 1.00 0.46 H new ATOM 0 HG SER A 46 -7.430 2.625 11.542 1.00 1.05 H new ATOM 713 N GLU A 47 -9.830 3.837 9.479 1.00 0.30 N ATOM 714 CA GLU A 47 -11.233 3.855 9.991 1.00 0.35 C ATOM 715 C GLU A 47 -12.225 4.153 8.859 1.00 0.26 C ATOM 716 O GLU A 47 -13.262 3.526 8.762 1.00 0.41 O ATOM 717 CB GLU A 47 -11.351 4.932 11.066 1.00 0.50 C ATOM 718 CG GLU A 47 -10.667 4.441 12.342 1.00 0.78 C ATOM 719 CD GLU A 47 -9.186 4.182 12.057 1.00 1.70 C ATOM 720 OE1 GLU A 47 -8.594 5.048 11.434 1.00 2.58 O ATOM 721 OE2 GLU A 47 -8.728 3.132 12.479 1.00 2.91 O ATOM 0 H GLU A 47 -9.316 4.713 9.577 1.00 0.30 H new ATOM 0 HA GLU A 47 -11.471 2.876 10.406 1.00 0.35 H new ATOM 0 HB2 GLU A 47 -10.888 5.858 10.724 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -12.400 5.154 11.263 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -10.772 5.184 13.133 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -11.146 3.528 12.696 1.00 0.78 H new ATOM 728 N LYS A 48 -11.891 5.103 8.030 1.00 0.10 N ATOM 729 CA LYS A 48 -12.817 5.447 6.909 1.00 0.15 C ATOM 730 C LYS A 48 -13.311 4.174 6.216 1.00 0.12 C ATOM 731 O LYS A 48 -14.482 3.854 6.261 1.00 0.26 O ATOM 732 CB LYS A 48 -12.083 6.325 5.902 1.00 0.29 C ATOM 733 CG LYS A 48 -13.077 7.313 5.285 1.00 0.46 C ATOM 734 CD LYS A 48 -13.187 8.548 6.184 1.00 0.77 C ATOM 735 CE LYS A 48 -14.553 9.209 5.970 1.00 0.76 C ATOM 736 NZ LYS A 48 -14.762 9.523 4.529 1.00 0.74 N ATOM 0 H LYS A 48 -11.031 5.650 8.076 1.00 0.10 H new ATOM 0 HA LYS A 48 -13.677 5.983 7.310 1.00 0.15 H new ATOM 0 HB2 LYS A 48 -11.272 6.863 6.393 1.00 0.29 H new ATOM 0 HB3 LYS A 48 -11.632 5.709 5.124 1.00 0.29 H new ATOM 0 HG2 LYS A 48 -12.747 7.603 4.287 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -14.054 6.842 5.173 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -13.068 8.263 7.229 1.00 0.77 H new ATOM 0 HD3 LYS A 48 -12.389 9.253 5.953 1.00 0.77 H new ATOM 0 HE2 LYS A 48 -15.343 8.546 6.322 1.00 0.76 H new ATOM 0 HE3 LYS A 48 -14.618 10.123 6.560 1.00 0.76 H new ATOM 0 HZ1 LYS A 48 -15.546 10.199 4.431 1.00 0.74 H new ATOM 0 HZ2 LYS A 48 -13.894 9.940 4.135 1.00 0.74 H new ATOM 0 HZ3 LYS A 48 -14.992 8.650 4.013 1.00 0.74 H new ATOM 750 N TYR A 49 -12.406 3.473 5.591 1.00 0.12 N ATOM 751 CA TYR A 49 -12.804 2.220 4.887 1.00 0.18 C ATOM 752 C TYR A 49 -12.588 1.008 5.801 1.00 0.26 C ATOM 753 O TYR A 49 -11.468 0.657 6.116 1.00 0.42 O ATOM 754 CB TYR A 49 -11.955 2.069 3.629 1.00 0.26 C ATOM 755 CG TYR A 49 -12.532 2.954 2.522 1.00 0.24 C ATOM 756 CD1 TYR A 49 -13.659 2.563 1.827 1.00 0.22 C ATOM 757 CD2 TYR A 49 -11.935 4.156 2.205 1.00 0.31 C ATOM 758 CE1 TYR A 49 -14.177 3.362 0.829 1.00 0.18 C ATOM 759 CE2 TYR A 49 -12.454 4.956 1.208 1.00 0.34 C ATOM 760 CZ TYR A 49 -13.580 4.564 0.513 1.00 0.24 C ATOM 761 OH TYR A 49 -14.099 5.364 -0.486 1.00 0.26 O ATOM 0 H TYR A 49 -11.415 3.710 5.537 1.00 0.12 H new ATOM 0 HA TYR A 49 -13.860 2.274 4.621 1.00 0.18 H new ATOM 0 HB2 TYR A 49 -10.923 2.352 3.836 1.00 0.26 H new ATOM 0 HB3 TYR A 49 -11.941 1.027 3.308 1.00 0.26 H new ATOM 0 HD1 TYR A 49 -14.138 1.625 2.066 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.053 4.474 2.742 1.00 0.31 H new ATOM 0 HE1 TYR A 49 -15.057 3.043 0.291 1.00 0.18 H new ATOM 0 HE2 TYR A 49 -11.976 5.895 0.970 1.00 0.34 H new ATOM 0 HH TYR A 49 -13.553 6.173 -0.574 1.00 0.26 H new ATOM 771 N SER A 50 -13.667 0.396 6.209 1.00 0.40 N ATOM 772 CA SER A 50 -13.541 -0.794 7.107 1.00 0.45 C ATOM 773 C SER A 50 -13.578 -2.090 6.292 1.00 0.33 C ATOM 774 O SER A 50 -13.098 -3.116 6.732 1.00 0.21 O ATOM 775 CB SER A 50 -14.694 -0.789 8.109 1.00 0.65 C ATOM 776 OG SER A 50 -15.845 -1.044 7.316 1.00 0.74 O ATOM 0 H SER A 50 -14.621 0.662 5.964 1.00 0.40 H new ATOM 0 HA SER A 50 -12.588 -0.741 7.633 1.00 0.45 H new ATOM 0 HB2 SER A 50 -14.560 -1.554 8.874 1.00 0.65 H new ATOM 0 HB3 SER A 50 -14.770 0.168 8.625 1.00 0.65 H new ATOM 0 HG SER A 50 -16.640 -1.059 7.889 1.00 0.74 H new ATOM 782 N ASN A 51 -14.144 -2.013 5.124 1.00 0.45 N ATOM 783 CA ASN A 51 -14.227 -3.236 4.269 1.00 0.39 C ATOM 784 C ASN A 51 -13.053 -3.277 3.287 1.00 0.26 C ATOM 785 O ASN A 51 -13.171 -3.792 2.194 1.00 0.48 O ATOM 786 CB ASN A 51 -15.541 -3.212 3.488 1.00 0.60 C ATOM 787 CG ASN A 51 -15.804 -4.600 2.899 1.00 0.65 C ATOM 788 OD1 ASN A 51 -15.033 -5.521 3.082 1.00 1.33 O ATOM 789 ND2 ASN A 51 -16.881 -4.792 2.187 1.00 0.96 N ATOM 0 H ASN A 51 -14.550 -1.168 4.723 1.00 0.45 H new ATOM 0 HA ASN A 51 -14.186 -4.121 4.905 1.00 0.39 H new ATOM 0 HB2 ASN A 51 -16.362 -2.921 4.143 1.00 0.60 H new ATOM 0 HB3 ASN A 51 -15.491 -2.470 2.691 1.00 0.60 H new ATOM 0 HD21 ASN A 51 -17.071 -5.711 1.788 1.00 0.96 H new ATOM 0 HD22 ASN A 51 -17.532 -4.023 2.030 1.00 0.96 H new ATOM 796 N VAL A 52 -11.944 -2.728 3.699 1.00 0.40 N ATOM 797 CA VAL A 52 -10.750 -2.724 2.805 1.00 0.25 C ATOM 798 C VAL A 52 -9.473 -2.875 3.640 1.00 0.21 C ATOM 799 O VAL A 52 -9.399 -2.383 4.750 1.00 0.23 O ATOM 800 CB VAL A 52 -10.708 -1.397 2.038 1.00 0.32 C ATOM 801 CG1 VAL A 52 -9.713 -1.497 0.875 1.00 0.31 C ATOM 802 CG2 VAL A 52 -12.102 -1.093 1.478 1.00 0.51 C ATOM 0 H VAL A 52 -11.812 -2.285 4.608 1.00 0.40 H new ATOM 0 HA VAL A 52 -10.815 -3.556 2.104 1.00 0.25 H new ATOM 0 HB VAL A 52 -10.395 -0.602 2.715 1.00 0.32 H new ATOM 0 HG11 VAL A 52 -9.689 -0.551 0.335 1.00 0.31 H new ATOM 0 HG12 VAL A 52 -8.719 -1.718 1.264 1.00 0.31 H new ATOM 0 HG13 VAL A 52 -10.023 -2.293 0.198 1.00 0.31 H new ATOM 0 HG21 VAL A 52 -12.077 -0.150 0.932 1.00 0.51 H new ATOM 0 HG22 VAL A 52 -12.406 -1.894 0.805 1.00 0.51 H new ATOM 0 HG23 VAL A 52 -12.815 -1.018 2.299 1.00 0.51 H new ATOM 812 N ILE A 53 -8.496 -3.555 3.092 1.00 0.15 N ATOM 813 CA ILE A 53 -7.219 -3.747 3.846 1.00 0.12 C ATOM 814 C ILE A 53 -6.153 -2.773 3.329 1.00 0.09 C ATOM 815 O ILE A 53 -6.133 -2.424 2.161 1.00 0.16 O ATOM 816 CB ILE A 53 -6.746 -5.196 3.667 1.00 0.11 C ATOM 817 CG1 ILE A 53 -7.855 -6.145 4.137 1.00 0.17 C ATOM 818 CG2 ILE A 53 -5.498 -5.435 4.517 1.00 0.17 C ATOM 819 CD1 ILE A 53 -8.677 -6.608 2.932 1.00 1.19 C ATOM 0 H ILE A 53 -8.526 -3.981 2.166 1.00 0.15 H new ATOM 0 HA ILE A 53 -7.384 -3.547 4.905 1.00 0.12 H new ATOM 0 HB ILE A 53 -6.515 -5.377 2.617 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -7.420 -7.005 4.646 1.00 0.17 H new ATOM 0 HG13 ILE A 53 -8.499 -5.640 4.857 1.00 0.17 H new ATOM 0 HG21 ILE A 53 -5.163 -6.464 4.389 1.00 0.17 H new ATOM 0 HG22 ILE A 53 -4.707 -4.754 4.202 1.00 0.17 H new ATOM 0 HG23 ILE A 53 -5.733 -5.257 5.566 1.00 0.17 H new ATOM 0 HD11 ILE A 53 -9.465 -7.283 3.267 1.00 1.19 H new ATOM 0 HD12 ILE A 53 -9.124 -5.743 2.442 1.00 1.19 H new ATOM 0 HD13 ILE A 53 -8.028 -7.129 2.228 1.00 1.19 H new ATOM 831 N PHE A 54 -5.280 -2.364 4.219 1.00 0.18 N ATOM 832 CA PHE A 54 -4.216 -1.391 3.822 1.00 0.14 C ATOM 833 C PHE A 54 -2.853 -1.804 4.396 1.00 0.10 C ATOM 834 O PHE A 54 -2.703 -1.949 5.591 1.00 0.20 O ATOM 835 CB PHE A 54 -4.599 -0.024 4.378 1.00 0.16 C ATOM 836 CG PHE A 54 -5.946 0.398 3.793 1.00 0.23 C ATOM 837 CD1 PHE A 54 -6.018 0.986 2.545 1.00 0.31 C ATOM 838 CD2 PHE A 54 -7.112 0.195 4.509 1.00 0.23 C ATOM 839 CE1 PHE A 54 -7.236 1.365 2.020 1.00 0.38 C ATOM 840 CE2 PHE A 54 -8.329 0.575 3.983 1.00 0.29 C ATOM 841 CZ PHE A 54 -8.390 1.160 2.739 1.00 0.36 C ATOM 0 H PHE A 54 -5.259 -2.660 5.195 1.00 0.18 H new ATOM 0 HA PHE A 54 -4.135 -1.366 2.735 1.00 0.14 H new ATOM 0 HB2 PHE A 54 -4.658 -0.064 5.466 1.00 0.16 H new ATOM 0 HB3 PHE A 54 -3.834 0.711 4.127 1.00 0.16 H new ATOM 0 HD1 PHE A 54 -5.115 1.150 1.977 1.00 0.31 H new ATOM 0 HD2 PHE A 54 -7.069 -0.264 5.486 1.00 0.23 H new ATOM 0 HE1 PHE A 54 -7.283 1.823 1.043 1.00 0.38 H new ATOM 0 HE2 PHE A 54 -9.235 0.413 4.548 1.00 0.29 H new ATOM 0 HZ PHE A 54 -9.343 1.458 2.328 1.00 0.36 H new ATOM 851 N LEU A 55 -1.887 -1.992 3.527 1.00 0.31 N ATOM 852 CA LEU A 55 -0.522 -2.376 4.014 1.00 0.28 C ATOM 853 C LEU A 55 0.388 -1.147 4.014 1.00 0.28 C ATOM 854 O LEU A 55 0.037 -0.100 3.500 1.00 0.42 O ATOM 855 CB LEU A 55 0.102 -3.431 3.095 1.00 0.23 C ATOM 856 CG LEU A 55 -0.534 -4.804 3.334 1.00 0.70 C ATOM 857 CD1 LEU A 55 -2.043 -4.707 3.171 1.00 1.14 C ATOM 858 CD2 LEU A 55 0.014 -5.793 2.302 1.00 0.62 C ATOM 0 H LEU A 55 -1.981 -1.898 2.516 1.00 0.31 H new ATOM 0 HA LEU A 55 -0.622 -2.780 5.021 1.00 0.28 H new ATOM 0 HB2 LEU A 55 -0.033 -3.139 2.054 1.00 0.23 H new ATOM 0 HB3 LEU A 55 1.176 -3.486 3.274 1.00 0.23 H new ATOM 0 HG LEU A 55 -0.298 -5.142 4.343 1.00 0.70 H new ATOM 0 HD11 LEU A 55 -2.491 -5.686 3.342 1.00 1.14 H new ATOM 0 HD12 LEU A 55 -2.442 -3.994 3.893 1.00 1.14 H new ATOM 0 HD13 LEU A 55 -2.279 -4.371 2.161 1.00 1.14 H new ATOM 0 HD21 LEU A 55 -0.433 -6.774 2.464 1.00 0.62 H new ATOM 0 HD22 LEU A 55 -0.230 -5.444 1.299 1.00 0.62 H new ATOM 0 HD23 LEU A 55 1.096 -5.866 2.407 1.00 0.62 H new ATOM 870 N GLU A 56 1.548 -1.321 4.561 1.00 0.32 N ATOM 871 CA GLU A 56 2.518 -0.187 4.625 1.00 0.36 C ATOM 872 C GLU A 56 3.943 -0.731 4.496 1.00 0.25 C ATOM 873 O GLU A 56 4.478 -1.291 5.434 1.00 0.23 O ATOM 874 CB GLU A 56 2.367 0.523 5.970 1.00 0.59 C ATOM 875 CG GLU A 56 1.737 1.900 5.750 1.00 1.49 C ATOM 876 CD GLU A 56 1.629 2.624 7.093 1.00 2.00 C ATOM 877 OE1 GLU A 56 2.293 2.166 8.010 1.00 1.97 O ATOM 878 OE2 GLU A 56 0.891 3.594 7.129 1.00 2.85 O ATOM 0 H GLU A 56 1.875 -2.197 4.969 1.00 0.32 H new ATOM 0 HA GLU A 56 2.321 0.514 3.814 1.00 0.36 H new ATOM 0 HB2 GLU A 56 1.745 -0.071 6.639 1.00 0.59 H new ATOM 0 HB3 GLU A 56 3.340 0.629 6.449 1.00 0.59 H new ATOM 0 HG2 GLU A 56 2.342 2.484 5.056 1.00 1.49 H new ATOM 0 HG3 GLU A 56 0.750 1.794 5.300 1.00 1.49 H new ATOM 885 N VAL A 57 4.530 -0.555 3.340 1.00 0.21 N ATOM 886 CA VAL A 57 5.916 -1.078 3.135 1.00 0.12 C ATOM 887 C VAL A 57 6.948 0.050 3.224 1.00 0.14 C ATOM 888 O VAL A 57 6.728 1.141 2.733 1.00 0.25 O ATOM 889 CB VAL A 57 6.006 -1.725 1.755 1.00 0.12 C ATOM 890 CG1 VAL A 57 7.437 -2.222 1.529 1.00 0.09 C ATOM 891 CG2 VAL A 57 5.043 -2.910 1.688 1.00 0.13 C ATOM 0 H VAL A 57 4.117 -0.078 2.538 1.00 0.21 H new ATOM 0 HA VAL A 57 6.130 -1.808 3.916 1.00 0.12 H new ATOM 0 HB VAL A 57 5.742 -0.997 0.988 1.00 0.12 H new ATOM 0 HG11 VAL A 57 7.510 -2.686 0.545 1.00 0.09 H new ATOM 0 HG12 VAL A 57 8.128 -1.381 1.586 1.00 0.09 H new ATOM 0 HG13 VAL A 57 7.693 -2.954 2.295 1.00 0.09 H new ATOM 0 HG21 VAL A 57 5.105 -3.374 0.704 1.00 0.13 H new ATOM 0 HG22 VAL A 57 5.311 -3.641 2.451 1.00 0.13 H new ATOM 0 HG23 VAL A 57 4.025 -2.562 1.861 1.00 0.13 H new ATOM 901 N ASP A 58 8.054 -0.247 3.856 1.00 0.10 N ATOM 902 CA ASP A 58 9.134 0.773 3.984 1.00 0.19 C ATOM 903 C ASP A 58 10.263 0.451 2.995 1.00 0.22 C ATOM 904 O ASP A 58 10.896 -0.583 3.089 1.00 0.23 O ATOM 905 CB ASP A 58 9.677 0.736 5.410 1.00 0.23 C ATOM 906 CG ASP A 58 10.605 1.933 5.638 1.00 0.32 C ATOM 907 OD1 ASP A 58 10.524 2.845 4.830 1.00 1.50 O ATOM 908 OD2 ASP A 58 11.344 1.867 6.607 1.00 0.91 O ATOM 0 H ASP A 58 8.255 -1.149 4.287 1.00 0.10 H new ATOM 0 HA ASP A 58 8.738 1.764 3.764 1.00 0.19 H new ATOM 0 HB2 ASP A 58 8.854 0.760 6.124 1.00 0.23 H new ATOM 0 HB3 ASP A 58 10.219 -0.194 5.579 1.00 0.23 H new ATOM 913 N VAL A 59 10.493 1.342 2.070 1.00 0.24 N ATOM 914 CA VAL A 59 11.571 1.093 1.065 1.00 0.27 C ATOM 915 C VAL A 59 12.954 1.306 1.692 1.00 0.35 C ATOM 916 O VAL A 59 13.899 1.638 1.004 1.00 0.46 O ATOM 917 CB VAL A 59 11.391 2.051 -0.110 1.00 0.29 C ATOM 918 CG1 VAL A 59 10.025 1.806 -0.754 1.00 0.28 C ATOM 919 CG2 VAL A 59 11.457 3.492 0.399 1.00 0.31 C ATOM 0 H VAL A 59 9.989 2.223 1.965 1.00 0.24 H new ATOM 0 HA VAL A 59 11.502 0.061 0.720 1.00 0.27 H new ATOM 0 HB VAL A 59 12.179 1.885 -0.844 1.00 0.29 H new ATOM 0 HG11 VAL A 59 9.891 2.488 -1.594 1.00 0.28 H new ATOM 0 HG12 VAL A 59 9.970 0.777 -1.109 1.00 0.28 H new ATOM 0 HG13 VAL A 59 9.240 1.978 -0.018 1.00 0.28 H new ATOM 0 HG21 VAL A 59 11.329 4.179 -0.437 1.00 0.31 H new ATOM 0 HG22 VAL A 59 10.664 3.657 1.129 1.00 0.31 H new ATOM 0 HG23 VAL A 59 12.425 3.668 0.868 1.00 0.31 H new ATOM 929 N ASP A 60 13.036 1.111 2.986 1.00 0.29 N ATOM 930 CA ASP A 60 14.348 1.292 3.687 1.00 0.36 C ATOM 931 C ASP A 60 14.749 -0.005 4.395 1.00 0.38 C ATOM 932 O ASP A 60 15.900 -0.396 4.373 1.00 0.46 O ATOM 933 CB ASP A 60 14.215 2.412 4.718 1.00 0.49 C ATOM 934 CG ASP A 60 15.271 2.223 5.810 1.00 0.47 C ATOM 935 OD1 ASP A 60 16.431 2.403 5.477 1.00 0.47 O ATOM 936 OD2 ASP A 60 14.858 1.908 6.913 1.00 1.66 O ATOM 0 H ASP A 60 12.257 0.836 3.585 1.00 0.29 H new ATOM 0 HA ASP A 60 15.114 1.549 2.955 1.00 0.36 H new ATOM 0 HB2 ASP A 60 14.342 3.382 4.237 1.00 0.49 H new ATOM 0 HB3 ASP A 60 13.217 2.402 5.156 1.00 0.49 H new ATOM 941 N ASP A 61 13.785 -0.645 5.008 1.00 0.38 N ATOM 942 CA ASP A 61 14.080 -1.922 5.728 1.00 0.41 C ATOM 943 C ASP A 61 13.534 -3.116 4.938 1.00 0.32 C ATOM 944 O ASP A 61 13.888 -4.249 5.201 1.00 0.34 O ATOM 945 CB ASP A 61 13.418 -1.881 7.105 1.00 0.51 C ATOM 946 CG ASP A 61 13.292 -3.305 7.649 1.00 0.63 C ATOM 947 OD1 ASP A 61 14.328 -3.843 8.003 1.00 0.86 O ATOM 948 OD2 ASP A 61 12.166 -3.775 7.681 1.00 1.98 O ATOM 0 H ASP A 61 12.812 -0.341 5.041 1.00 0.38 H new ATOM 0 HA ASP A 61 15.159 -2.033 5.833 1.00 0.41 H new ATOM 0 HB2 ASP A 61 14.009 -1.270 7.787 1.00 0.51 H new ATOM 0 HB3 ASP A 61 12.434 -1.418 7.034 1.00 0.51 H new ATOM 953 N CYS A 62 12.680 -2.828 3.986 1.00 0.27 N ATOM 954 CA CYS A 62 12.084 -3.925 3.159 1.00 0.20 C ATOM 955 C CYS A 62 12.420 -3.715 1.679 1.00 0.19 C ATOM 956 O CYS A 62 11.585 -3.904 0.817 1.00 0.18 O ATOM 957 CB CYS A 62 10.568 -3.912 3.342 1.00 0.11 C ATOM 958 SG CYS A 62 9.936 -3.664 5.020 1.00 0.10 S ATOM 0 H CYS A 62 12.371 -1.886 3.746 1.00 0.27 H new ATOM 0 HA CYS A 62 12.494 -4.883 3.480 1.00 0.20 H new ATOM 0 HB2 CYS A 62 10.159 -3.126 2.708 1.00 0.11 H new ATOM 0 HB3 CYS A 62 10.175 -4.858 2.970 1.00 0.11 H new ATOM 0 HG CYS A 62 10.910 -3.785 5.873 1.00 0.10 H new ATOM 964 N GLN A 63 13.639 -3.327 1.419 1.00 0.20 N ATOM 965 CA GLN A 63 14.047 -3.100 0.008 1.00 0.19 C ATOM 966 C GLN A 63 13.829 -4.370 -0.820 1.00 0.18 C ATOM 967 O GLN A 63 13.908 -4.345 -2.032 1.00 0.22 O ATOM 968 CB GLN A 63 15.526 -2.716 -0.031 1.00 0.20 C ATOM 969 CG GLN A 63 15.683 -1.273 0.456 1.00 1.07 C ATOM 970 CD GLN A 63 17.170 -0.960 0.634 1.00 1.24 C ATOM 971 OE1 GLN A 63 17.937 -1.781 1.099 1.00 0.99 O ATOM 972 NE2 GLN A 63 17.618 0.214 0.280 1.00 2.26 N ATOM 0 H GLN A 63 14.363 -3.159 2.118 1.00 0.20 H new ATOM 0 HA GLN A 63 13.442 -2.297 -0.413 1.00 0.19 H new ATOM 0 HB2 GLN A 63 16.106 -3.390 0.599 1.00 0.20 H new ATOM 0 HB3 GLN A 63 15.913 -2.815 -1.045 1.00 0.20 H new ATOM 0 HG2 GLN A 63 15.238 -0.584 -0.262 1.00 1.07 H new ATOM 0 HG3 GLN A 63 15.155 -1.136 1.400 1.00 1.07 H new ATOM 0 HE21 GLN A 63 16.980 0.907 -0.111 1.00 2.26 H new ATOM 0 HE22 GLN A 63 18.606 0.438 0.394 1.00 2.26 H new ATOM 981 N ASP A 64 13.558 -5.452 -0.146 1.00 0.17 N ATOM 982 CA ASP A 64 13.337 -6.728 -0.872 1.00 0.16 C ATOM 983 C ASP A 64 11.951 -6.740 -1.509 1.00 0.14 C ATOM 984 O ASP A 64 11.805 -6.981 -2.691 1.00 0.23 O ATOM 985 CB ASP A 64 13.460 -7.893 0.109 1.00 0.18 C ATOM 986 CG ASP A 64 12.477 -7.690 1.265 1.00 0.18 C ATOM 987 OD1 ASP A 64 12.314 -6.541 1.640 1.00 1.17 O ATOM 988 OD2 ASP A 64 11.947 -8.696 1.707 1.00 1.38 O ATOM 0 H ASP A 64 13.481 -5.506 0.870 1.00 0.17 H new ATOM 0 HA ASP A 64 14.086 -6.826 -1.658 1.00 0.16 H new ATOM 0 HB2 ASP A 64 13.251 -8.834 -0.399 1.00 0.18 H new ATOM 0 HB3 ASP A 64 14.479 -7.956 0.490 1.00 0.18 H new ATOM 993 N VAL A 65 10.969 -6.479 -0.708 1.00 0.14 N ATOM 994 CA VAL A 65 9.579 -6.462 -1.229 1.00 0.19 C ATOM 995 C VAL A 65 9.425 -5.393 -2.306 1.00 0.20 C ATOM 996 O VAL A 65 8.817 -5.619 -3.332 1.00 0.23 O ATOM 997 CB VAL A 65 8.628 -6.173 -0.088 1.00 0.19 C ATOM 998 CG1 VAL A 65 7.195 -6.460 -0.539 1.00 0.23 C ATOM 999 CG2 VAL A 65 8.979 -7.076 1.097 1.00 0.19 C ATOM 0 H VAL A 65 11.065 -6.276 0.287 1.00 0.14 H new ATOM 0 HA VAL A 65 9.351 -7.433 -1.669 1.00 0.19 H new ATOM 0 HB VAL A 65 8.713 -5.128 0.209 1.00 0.19 H new ATOM 0 HG11 VAL A 65 6.507 -6.253 0.281 1.00 0.23 H new ATOM 0 HG12 VAL A 65 6.947 -5.825 -1.390 1.00 0.23 H new ATOM 0 HG13 VAL A 65 7.108 -7.507 -0.830 1.00 0.23 H new ATOM 0 HG21 VAL A 65 8.298 -6.873 1.923 1.00 0.19 H new ATOM 0 HG22 VAL A 65 8.887 -8.120 0.799 1.00 0.19 H new ATOM 0 HG23 VAL A 65 10.003 -6.878 1.414 1.00 0.19 H new ATOM 1009 N ALA A 66 9.980 -4.250 -2.045 1.00 0.21 N ATOM 1010 CA ALA A 66 9.883 -3.148 -3.036 1.00 0.27 C ATOM 1011 C ALA A 66 10.505 -3.589 -4.353 1.00 0.30 C ATOM 1012 O ALA A 66 9.906 -3.475 -5.404 1.00 0.43 O ATOM 1013 CB ALA A 66 10.624 -1.924 -2.502 1.00 0.26 C ATOM 0 H ALA A 66 10.495 -4.029 -1.193 1.00 0.21 H new ATOM 0 HA ALA A 66 8.835 -2.896 -3.201 1.00 0.27 H new ATOM 0 HB1 ALA A 66 10.555 -1.112 -3.226 1.00 0.26 H new ATOM 0 HB2 ALA A 66 10.175 -1.609 -1.560 1.00 0.26 H new ATOM 0 HB3 ALA A 66 11.672 -2.176 -2.338 1.00 0.26 H new ATOM 1019 N SER A 67 11.695 -4.087 -4.263 1.00 0.21 N ATOM 1020 CA SER A 67 12.391 -4.555 -5.490 1.00 0.23 C ATOM 1021 C SER A 67 11.573 -5.661 -6.156 1.00 0.24 C ATOM 1022 O SER A 67 11.830 -6.044 -7.280 1.00 0.25 O ATOM 1023 CB SER A 67 13.770 -5.094 -5.112 1.00 0.21 C ATOM 1024 OG SER A 67 14.322 -5.532 -6.345 1.00 0.96 O ATOM 0 H SER A 67 12.221 -4.193 -3.395 1.00 0.21 H new ATOM 0 HA SER A 67 12.501 -3.723 -6.186 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.387 -4.322 -4.651 1.00 0.21 H new ATOM 0 HB3 SER A 67 13.695 -5.912 -4.396 1.00 0.21 H new ATOM 0 HG SER A 67 13.602 -5.672 -6.995 1.00 0.96 H new ATOM 1030 N GLU A 68 10.602 -6.147 -5.438 1.00 0.23 N ATOM 1031 CA GLU A 68 9.746 -7.220 -5.986 1.00 0.27 C ATOM 1032 C GLU A 68 8.690 -6.620 -6.907 1.00 0.36 C ATOM 1033 O GLU A 68 8.300 -7.217 -7.891 1.00 0.42 O ATOM 1034 CB GLU A 68 9.070 -7.939 -4.825 1.00 0.27 C ATOM 1035 CG GLU A 68 9.035 -9.434 -5.115 1.00 0.61 C ATOM 1036 CD GLU A 68 10.432 -10.023 -4.909 1.00 2.28 C ATOM 1037 OE1 GLU A 68 11.344 -9.223 -4.789 1.00 3.27 O ATOM 1038 OE2 GLU A 68 10.507 -11.240 -4.884 1.00 2.87 O ATOM 0 H GLU A 68 10.367 -5.843 -4.493 1.00 0.23 H new ATOM 0 HA GLU A 68 10.351 -7.923 -6.559 1.00 0.27 H new ATOM 0 HB2 GLU A 68 9.612 -7.749 -3.899 1.00 0.27 H new ATOM 0 HB3 GLU A 68 8.058 -7.559 -4.686 1.00 0.27 H new ATOM 0 HG2 GLU A 68 8.320 -9.927 -4.457 1.00 0.61 H new ATOM 0 HG3 GLU A 68 8.701 -9.610 -6.138 1.00 0.61 H new ATOM 1045 N CYS A 69 8.255 -5.449 -6.561 1.00 0.38 N ATOM 1046 CA CYS A 69 7.229 -4.768 -7.397 1.00 0.48 C ATOM 1047 C CYS A 69 7.923 -3.934 -8.478 1.00 0.53 C ATOM 1048 O CYS A 69 7.279 -3.314 -9.302 1.00 0.62 O ATOM 1049 CB CYS A 69 6.382 -3.862 -6.504 1.00 0.46 C ATOM 1050 SG CYS A 69 5.262 -4.665 -5.332 1.00 0.52 S ATOM 0 H CYS A 69 8.562 -4.931 -5.738 1.00 0.38 H new ATOM 0 HA CYS A 69 6.588 -5.508 -7.876 1.00 0.48 H new ATOM 0 HB2 CYS A 69 7.057 -3.219 -5.939 1.00 0.46 H new ATOM 0 HB3 CYS A 69 5.788 -3.213 -7.148 1.00 0.46 H new ATOM 0 HG CYS A 69 4.031 -4.453 -5.693 1.00 0.52 H new ATOM 1056 N GLU A 70 9.228 -3.940 -8.443 1.00 0.48 N ATOM 1057 CA GLU A 70 10.008 -3.169 -9.456 1.00 0.56 C ATOM 1058 C GLU A 70 9.655 -1.679 -9.396 1.00 0.57 C ATOM 1059 O GLU A 70 9.360 -1.071 -10.406 1.00 0.73 O ATOM 1060 CB GLU A 70 9.695 -3.710 -10.851 1.00 0.67 C ATOM 1061 CG GLU A 70 9.737 -5.239 -10.818 1.00 1.90 C ATOM 1062 CD GLU A 70 9.622 -5.779 -12.245 1.00 2.16 C ATOM 1063 OE1 GLU A 70 8.497 -5.837 -12.714 1.00 3.02 O ATOM 1064 OE2 GLU A 70 10.666 -6.104 -12.786 1.00 2.10 O ATOM 0 H GLU A 70 9.789 -4.445 -7.757 1.00 0.48 H new ATOM 0 HA GLU A 70 11.070 -3.282 -9.240 1.00 0.56 H new ATOM 0 HB2 GLU A 70 8.712 -3.368 -11.175 1.00 0.67 H new ATOM 0 HB3 GLU A 70 10.418 -3.330 -11.572 1.00 0.67 H new ATOM 0 HG2 GLU A 70 10.667 -5.579 -10.362 1.00 1.90 H new ATOM 0 HG3 GLU A 70 8.922 -5.623 -10.205 1.00 1.90 H new ATOM 1071 N VAL A 71 9.689 -1.120 -8.217 1.00 0.39 N ATOM 1072 CA VAL A 71 9.370 0.337 -8.097 1.00 0.39 C ATOM 1073 C VAL A 71 10.592 1.171 -8.492 1.00 0.52 C ATOM 1074 O VAL A 71 11.706 0.686 -8.485 1.00 0.62 O ATOM 1075 CB VAL A 71 8.984 0.659 -6.654 1.00 0.16 C ATOM 1076 CG1 VAL A 71 7.883 1.719 -6.654 1.00 0.23 C ATOM 1077 CG2 VAL A 71 8.460 -0.607 -5.977 1.00 0.19 C ATOM 0 H VAL A 71 9.919 -1.596 -7.345 1.00 0.39 H new ATOM 0 HA VAL A 71 8.539 0.576 -8.761 1.00 0.39 H new ATOM 0 HB VAL A 71 9.856 1.030 -6.115 1.00 0.16 H new ATOM 0 HG11 VAL A 71 7.603 1.953 -5.627 1.00 0.23 H new ATOM 0 HG12 VAL A 71 8.247 2.621 -7.146 1.00 0.23 H new ATOM 0 HG13 VAL A 71 7.013 1.340 -7.190 1.00 0.23 H new ATOM 0 HG21 VAL A 71 8.184 -0.381 -4.947 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.586 -0.972 -6.516 1.00 0.19 H new ATOM 0 HG23 VAL A 71 9.237 -1.372 -5.985 1.00 0.19 H new ATOM 1087 N LYS A 72 10.356 2.410 -8.829 1.00 0.57 N ATOM 1088 CA LYS A 72 11.495 3.289 -9.227 1.00 0.74 C ATOM 1089 C LYS A 72 11.260 4.719 -8.732 1.00 0.67 C ATOM 1090 O LYS A 72 11.901 5.646 -9.187 1.00 0.80 O ATOM 1091 CB LYS A 72 11.615 3.294 -10.751 1.00 0.99 C ATOM 1092 CG LYS A 72 12.215 1.966 -11.212 1.00 2.04 C ATOM 1093 CD LYS A 72 12.370 1.988 -12.734 1.00 2.58 C ATOM 1094 CE LYS A 72 13.843 2.206 -13.086 1.00 2.25 C ATOM 1095 NZ LYS A 72 13.994 2.511 -14.537 1.00 3.13 N ATOM 0 H LYS A 72 9.435 2.849 -8.846 1.00 0.57 H new ATOM 0 HA LYS A 72 12.413 2.907 -8.781 1.00 0.74 H new ATOM 0 HB2 LYS A 72 10.635 3.441 -11.204 1.00 0.99 H new ATOM 0 HB3 LYS A 72 12.244 4.123 -11.076 1.00 0.99 H new ATOM 0 HG2 LYS A 72 13.183 1.806 -10.738 1.00 2.04 H new ATOM 0 HG3 LYS A 72 11.572 1.139 -10.911 1.00 2.04 H new ATOM 0 HD2 LYS A 72 12.017 1.050 -13.161 1.00 2.58 H new ATOM 0 HD3 LYS A 72 11.760 2.783 -13.162 1.00 2.58 H new ATOM 0 HE2 LYS A 72 14.247 3.026 -12.492 1.00 2.25 H new ATOM 0 HE3 LYS A 72 14.419 1.316 -12.834 1.00 2.25 H new ATOM 0 HZ1 LYS A 72 15.000 2.656 -14.758 1.00 3.13 H new ATOM 0 HZ2 LYS A 72 13.627 1.716 -15.099 1.00 3.13 H new ATOM 0 HZ3 LYS A 72 13.461 3.374 -14.768 1.00 3.13 H new ATOM 1109 N CYS A 73 10.349 4.870 -7.810 1.00 0.46 N ATOM 1110 CA CYS A 73 10.067 6.239 -7.284 1.00 0.38 C ATOM 1111 C CYS A 73 8.972 6.190 -6.215 1.00 0.32 C ATOM 1112 O CYS A 73 7.915 5.630 -6.429 1.00 0.39 O ATOM 1113 CB CYS A 73 9.613 7.132 -8.437 1.00 0.36 C ATOM 1114 SG CYS A 73 8.592 6.372 -9.724 1.00 0.41 S ATOM 0 H CYS A 73 9.794 4.118 -7.402 1.00 0.46 H new ATOM 0 HA CYS A 73 10.975 6.640 -6.833 1.00 0.38 H new ATOM 0 HB2 CYS A 73 9.057 7.970 -8.016 1.00 0.36 H new ATOM 0 HB3 CYS A 73 10.502 7.547 -8.913 1.00 0.36 H new ATOM 0 HG CYS A 73 8.293 7.262 -10.623 1.00 0.41 H new ATOM 1120 N THR A 74 9.257 6.783 -5.086 1.00 0.25 N ATOM 1121 CA THR A 74 8.257 6.795 -3.976 1.00 0.20 C ATOM 1122 C THR A 74 7.622 8.203 -3.872 1.00 0.18 C ATOM 1123 O THR A 74 8.237 9.179 -4.255 1.00 0.22 O ATOM 1124 CB THR A 74 8.993 6.464 -2.668 1.00 0.21 C ATOM 1125 OG1 THR A 74 10.160 7.280 -2.699 1.00 0.21 O ATOM 1126 CG2 THR A 74 9.513 5.026 -2.659 1.00 0.25 C ATOM 0 H THR A 74 10.136 7.259 -4.884 1.00 0.25 H new ATOM 0 HA THR A 74 7.471 6.064 -4.163 1.00 0.20 H new ATOM 0 HB THR A 74 8.326 6.613 -1.819 1.00 0.21 H new ATOM 0 HG1 THR A 74 10.898 6.780 -3.106 1.00 0.21 H new ATOM 0 HG21 THR A 74 10.027 4.831 -1.718 1.00 0.25 H new ATOM 0 HG22 THR A 74 8.676 4.336 -2.765 1.00 0.25 H new ATOM 0 HG23 THR A 74 10.207 4.885 -3.488 1.00 0.25 H new ATOM 1134 N PRO A 75 6.397 8.291 -3.354 1.00 0.14 N ATOM 1135 CA PRO A 75 5.592 7.136 -2.893 1.00 0.10 C ATOM 1136 C PRO A 75 4.954 6.402 -4.084 1.00 0.09 C ATOM 1137 O PRO A 75 4.710 6.995 -5.120 1.00 0.10 O ATOM 1138 CB PRO A 75 4.489 7.755 -2.026 1.00 0.08 C ATOM 1139 CG PRO A 75 4.549 9.299 -2.236 1.00 0.09 C ATOM 1140 CD PRO A 75 5.760 9.592 -3.143 1.00 0.13 C ATOM 0 HA PRO A 75 6.201 6.408 -2.357 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.512 7.366 -2.311 1.00 0.08 H new ATOM 0 HB3 PRO A 75 4.638 7.503 -0.976 1.00 0.08 H new ATOM 0 HG2 PRO A 75 3.629 9.660 -2.695 1.00 0.09 H new ATOM 0 HG3 PRO A 75 4.652 9.813 -1.280 1.00 0.09 H new ATOM 0 HD2 PRO A 75 5.447 10.037 -4.088 1.00 0.13 H new ATOM 0 HD3 PRO A 75 6.446 10.296 -2.671 1.00 0.13 H new ATOM 1148 N THR A 76 4.694 5.127 -3.907 1.00 0.11 N ATOM 1149 CA THR A 76 4.065 4.341 -5.010 1.00 0.14 C ATOM 1150 C THR A 76 2.905 3.510 -4.456 1.00 0.14 C ATOM 1151 O THR A 76 3.093 2.661 -3.610 1.00 0.13 O ATOM 1152 CB THR A 76 5.112 3.413 -5.635 1.00 0.18 C ATOM 1153 OG1 THR A 76 5.978 4.280 -6.359 1.00 0.11 O ATOM 1154 CG2 THR A 76 4.493 2.496 -6.688 1.00 0.22 C ATOM 0 H THR A 76 4.889 4.603 -3.054 1.00 0.11 H new ATOM 0 HA THR A 76 3.685 5.024 -5.770 1.00 0.14 H new ATOM 0 HB THR A 76 5.583 2.810 -4.859 1.00 0.18 H new ATOM 0 HG1 THR A 76 6.620 4.690 -5.743 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.265 1.852 -7.109 1.00 0.22 H new ATOM 0 HG22 THR A 76 3.720 1.881 -6.226 1.00 0.22 H new ATOM 0 HG23 THR A 76 4.051 3.099 -7.481 1.00 0.22 H new ATOM 1162 N PHE A 77 1.726 3.776 -4.942 1.00 0.22 N ATOM 1163 CA PHE A 77 0.544 3.013 -4.450 1.00 0.23 C ATOM 1164 C PHE A 77 0.286 1.807 -5.350 1.00 0.24 C ATOM 1165 O PHE A 77 0.267 1.930 -6.559 1.00 0.29 O ATOM 1166 CB PHE A 77 -0.675 3.923 -4.467 1.00 0.25 C ATOM 1167 CG PHE A 77 -0.576 4.900 -3.301 1.00 0.22 C ATOM 1168 CD1 PHE A 77 -0.671 4.442 -2.003 1.00 0.21 C ATOM 1169 CD2 PHE A 77 -0.389 6.254 -3.527 1.00 0.24 C ATOM 1170 CE1 PHE A 77 -0.581 5.323 -0.943 1.00 0.21 C ATOM 1171 CE2 PHE A 77 -0.298 7.133 -2.467 1.00 0.22 C ATOM 1172 CZ PHE A 77 -0.395 6.666 -1.177 1.00 0.19 C ATOM 0 H PHE A 77 1.529 4.481 -5.652 1.00 0.22 H new ATOM 0 HA PHE A 77 0.737 2.664 -3.436 1.00 0.23 H new ATOM 0 HB2 PHE A 77 -0.727 4.466 -5.411 1.00 0.25 H new ATOM 0 HB3 PHE A 77 -1.588 3.332 -4.388 1.00 0.25 H new ATOM 0 HD1 PHE A 77 -0.817 3.389 -1.815 1.00 0.21 H new ATOM 0 HD2 PHE A 77 -0.314 6.624 -4.539 1.00 0.24 H new ATOM 0 HE1 PHE A 77 -0.657 4.957 0.070 1.00 0.21 H new ATOM 0 HE2 PHE A 77 -0.151 8.187 -2.650 1.00 0.22 H new ATOM 0 HZ PHE A 77 -0.325 7.354 -0.347 1.00 0.19 H new ATOM 1182 N GLN A 78 0.093 0.668 -4.737 1.00 0.19 N ATOM 1183 CA GLN A 78 -0.170 -0.572 -5.544 1.00 0.18 C ATOM 1184 C GLN A 78 -1.490 -1.224 -5.128 1.00 0.16 C ATOM 1185 O GLN A 78 -1.891 -1.148 -3.984 1.00 0.15 O ATOM 1186 CB GLN A 78 0.971 -1.551 -5.324 1.00 0.18 C ATOM 1187 CG GLN A 78 1.989 -1.397 -6.457 1.00 0.17 C ATOM 1188 CD GLN A 78 3.164 -2.343 -6.212 1.00 0.73 C ATOM 1189 OE1 GLN A 78 3.073 -3.532 -6.438 1.00 1.48 O ATOM 1190 NE2 GLN A 78 4.284 -1.858 -5.754 1.00 0.99 N ATOM 0 H GLN A 78 0.105 0.538 -3.725 1.00 0.19 H new ATOM 0 HA GLN A 78 -0.240 -0.301 -6.597 1.00 0.18 H new ATOM 0 HB2 GLN A 78 1.448 -1.363 -4.362 1.00 0.18 H new ATOM 0 HB3 GLN A 78 0.590 -2.572 -5.297 1.00 0.18 H new ATOM 0 HG2 GLN A 78 1.520 -1.621 -7.415 1.00 0.17 H new ATOM 0 HG3 GLN A 78 2.341 -0.367 -6.508 1.00 0.17 H new ATOM 0 HE21 GLN A 78 4.367 -0.860 -5.562 1.00 0.99 H new ATOM 0 HE22 GLN A 78 5.078 -2.477 -5.588 1.00 0.99 H new ATOM 1199 N PHE A 79 -2.129 -1.862 -6.077 1.00 0.17 N ATOM 1200 CA PHE A 79 -3.439 -2.526 -5.791 1.00 0.15 C ATOM 1201 C PHE A 79 -3.313 -4.046 -5.991 1.00 0.13 C ATOM 1202 O PHE A 79 -2.945 -4.498 -7.057 1.00 0.16 O ATOM 1203 CB PHE A 79 -4.491 -1.977 -6.764 1.00 0.19 C ATOM 1204 CG PHE A 79 -4.852 -0.524 -6.400 1.00 0.19 C ATOM 1205 CD1 PHE A 79 -3.899 0.487 -6.464 1.00 0.19 C ATOM 1206 CD2 PHE A 79 -6.142 -0.200 -6.004 1.00 0.21 C ATOM 1207 CE1 PHE A 79 -4.236 1.787 -6.138 1.00 0.20 C ATOM 1208 CE2 PHE A 79 -6.469 1.101 -5.680 1.00 0.22 C ATOM 1209 CZ PHE A 79 -5.519 2.092 -5.749 1.00 0.22 C ATOM 0 H PHE A 79 -1.800 -1.952 -7.038 1.00 0.17 H new ATOM 0 HA PHE A 79 -3.732 -2.325 -4.761 1.00 0.15 H new ATOM 0 HB2 PHE A 79 -4.109 -2.019 -7.784 1.00 0.19 H new ATOM 0 HB3 PHE A 79 -5.385 -2.600 -6.732 1.00 0.19 H new ATOM 0 HD1 PHE A 79 -2.890 0.255 -6.770 1.00 0.19 H new ATOM 0 HD2 PHE A 79 -6.896 -0.972 -5.949 1.00 0.21 H new ATOM 0 HE1 PHE A 79 -3.489 2.566 -6.189 1.00 0.20 H new ATOM 0 HE2 PHE A 79 -7.476 1.341 -5.371 1.00 0.22 H new ATOM 0 HZ PHE A 79 -5.780 3.109 -5.498 1.00 0.22 H new ATOM 1219 N PHE A 80 -3.622 -4.799 -4.957 1.00 0.09 N ATOM 1220 CA PHE A 80 -3.533 -6.296 -5.070 1.00 0.09 C ATOM 1221 C PHE A 80 -4.903 -6.928 -4.813 1.00 0.11 C ATOM 1222 O PHE A 80 -5.608 -6.537 -3.904 1.00 0.07 O ATOM 1223 CB PHE A 80 -2.538 -6.818 -4.039 1.00 0.10 C ATOM 1224 CG PHE A 80 -1.115 -6.485 -4.491 1.00 0.08 C ATOM 1225 CD1 PHE A 80 -0.481 -7.259 -5.449 1.00 0.08 C ATOM 1226 CD2 PHE A 80 -0.443 -5.407 -3.949 1.00 0.08 C ATOM 1227 CE1 PHE A 80 0.804 -6.957 -5.852 1.00 0.09 C ATOM 1228 CE2 PHE A 80 0.843 -5.108 -4.354 1.00 0.07 C ATOM 1229 CZ PHE A 80 1.464 -5.883 -5.304 1.00 0.09 C ATOM 0 H PHE A 80 -3.929 -4.448 -4.050 1.00 0.09 H new ATOM 0 HA PHE A 80 -3.203 -6.559 -6.075 1.00 0.09 H new ATOM 0 HB2 PHE A 80 -2.737 -6.369 -3.066 1.00 0.10 H new ATOM 0 HB3 PHE A 80 -2.651 -7.896 -3.922 1.00 0.10 H new ATOM 0 HD1 PHE A 80 -0.995 -8.104 -5.883 1.00 0.08 H new ATOM 0 HD2 PHE A 80 -0.927 -4.794 -3.203 1.00 0.08 H new ATOM 0 HE1 PHE A 80 1.292 -7.566 -6.599 1.00 0.09 H new ATOM 0 HE2 PHE A 80 1.361 -4.264 -3.924 1.00 0.07 H new ATOM 0 HZ PHE A 80 2.470 -5.648 -5.620 1.00 0.09 H new ATOM 1239 N LYS A 81 -5.243 -7.896 -5.625 1.00 0.25 N ATOM 1240 CA LYS A 81 -6.558 -8.588 -5.459 1.00 0.31 C ATOM 1241 C LYS A 81 -6.334 -10.092 -5.321 1.00 0.18 C ATOM 1242 O LYS A 81 -5.816 -10.727 -6.215 1.00 0.15 O ATOM 1243 CB LYS A 81 -7.431 -8.311 -6.683 1.00 0.39 C ATOM 1244 CG LYS A 81 -8.899 -8.264 -6.255 1.00 0.55 C ATOM 1245 CD LYS A 81 -9.785 -8.503 -7.480 1.00 1.02 C ATOM 1246 CE LYS A 81 -11.210 -8.046 -7.166 1.00 0.82 C ATOM 1247 NZ LYS A 81 -12.171 -8.624 -8.147 1.00 1.68 N ATOM 0 H LYS A 81 -4.668 -8.237 -6.395 1.00 0.25 H new ATOM 0 HA LYS A 81 -7.055 -8.216 -4.563 1.00 0.31 H new ATOM 0 HB2 LYS A 81 -7.144 -7.365 -7.143 1.00 0.39 H new ATOM 0 HB3 LYS A 81 -7.283 -9.088 -7.433 1.00 0.39 H new ATOM 0 HG2 LYS A 81 -9.094 -9.022 -5.496 1.00 0.55 H new ATOM 0 HG3 LYS A 81 -9.129 -7.297 -5.807 1.00 0.55 H new ATOM 0 HD2 LYS A 81 -9.395 -7.955 -8.338 1.00 1.02 H new ATOM 0 HD3 LYS A 81 -9.780 -9.560 -7.747 1.00 1.02 H new ATOM 0 HE2 LYS A 81 -11.483 -8.353 -6.156 1.00 0.82 H new ATOM 0 HE3 LYS A 81 -11.264 -6.958 -7.193 1.00 0.82 H new ATOM 0 HZ1 LYS A 81 -13.134 -8.304 -7.920 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.919 -8.310 -9.106 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.132 -9.662 -8.101 1.00 1.68 H new ATOM 1261 N LYS A 82 -6.731 -10.628 -4.201 1.00 0.20 N ATOM 1262 CA LYS A 82 -6.537 -12.088 -3.976 1.00 0.26 C ATOM 1263 C LYS A 82 -5.050 -12.441 -4.091 1.00 0.30 C ATOM 1264 O LYS A 82 -4.678 -13.597 -4.038 1.00 0.42 O ATOM 1265 CB LYS A 82 -7.342 -12.876 -5.008 1.00 0.22 C ATOM 1266 CG LYS A 82 -8.754 -12.299 -5.073 1.00 1.39 C ATOM 1267 CD LYS A 82 -9.702 -13.345 -5.667 1.00 1.03 C ATOM 1268 CE LYS A 82 -9.123 -13.859 -6.987 1.00 1.94 C ATOM 1269 NZ LYS A 82 -10.167 -14.584 -7.768 1.00 2.22 N ATOM 0 H LYS A 82 -7.178 -10.123 -3.436 1.00 0.20 H new ATOM 0 HA LYS A 82 -6.884 -12.347 -2.976 1.00 0.26 H new ATOM 0 HB2 LYS A 82 -6.864 -12.816 -5.986 1.00 0.22 H new ATOM 0 HB3 LYS A 82 -7.377 -13.931 -4.735 1.00 0.22 H new ATOM 0 HG2 LYS A 82 -9.089 -12.013 -4.076 1.00 1.39 H new ATOM 0 HG3 LYS A 82 -8.762 -11.396 -5.683 1.00 1.39 H new ATOM 0 HD2 LYS A 82 -9.835 -14.171 -4.968 1.00 1.03 H new ATOM 0 HD3 LYS A 82 -10.686 -12.908 -5.834 1.00 1.03 H new ATOM 0 HE2 LYS A 82 -8.738 -13.024 -7.572 1.00 1.94 H new ATOM 0 HE3 LYS A 82 -8.282 -14.524 -6.788 1.00 1.94 H new ATOM 0 HZ1 LYS A 82 -9.758 -14.926 -8.661 1.00 2.22 H new ATOM 0 HZ2 LYS A 82 -10.516 -15.393 -7.215 1.00 2.22 H new ATOM 0 HZ3 LYS A 82 -10.957 -13.939 -7.974 1.00 2.22 H new ATOM 1283 N GLY A 83 -4.230 -11.422 -4.249 1.00 0.32 N ATOM 1284 CA GLY A 83 -2.756 -11.659 -4.361 1.00 0.37 C ATOM 1285 C GLY A 83 -2.235 -11.244 -5.742 1.00 0.50 C ATOM 1286 O GLY A 83 -1.043 -11.117 -5.943 1.00 1.07 O ATOM 0 H GLY A 83 -4.519 -10.445 -4.304 1.00 0.32 H new ATOM 0 HA2 GLY A 83 -2.234 -11.096 -3.587 1.00 0.37 H new ATOM 0 HA3 GLY A 83 -2.540 -12.713 -4.189 1.00 0.37 H new ATOM 1290 N GLN A 84 -3.136 -11.038 -6.665 1.00 0.20 N ATOM 1291 CA GLN A 84 -2.703 -10.638 -8.040 1.00 0.20 C ATOM 1292 C GLN A 84 -2.794 -9.121 -8.222 1.00 0.15 C ATOM 1293 O GLN A 84 -3.777 -8.506 -7.867 1.00 0.14 O ATOM 1294 CB GLN A 84 -3.599 -11.328 -9.064 1.00 0.25 C ATOM 1295 CG GLN A 84 -3.481 -12.845 -8.894 1.00 0.81 C ATOM 1296 CD GLN A 84 -2.723 -13.431 -10.086 1.00 1.51 C ATOM 1297 OE1 GLN A 84 -1.685 -12.937 -10.479 1.00 2.59 O ATOM 1298 NE2 GLN A 84 -3.207 -14.482 -10.689 1.00 1.81 N ATOM 0 H GLN A 84 -4.143 -11.128 -6.531 1.00 0.20 H new ATOM 0 HA GLN A 84 -1.665 -10.939 -8.183 1.00 0.20 H new ATOM 0 HB2 GLN A 84 -4.634 -11.014 -8.929 1.00 0.25 H new ATOM 0 HB3 GLN A 84 -3.307 -11.039 -10.074 1.00 0.25 H new ATOM 0 HG2 GLN A 84 -2.959 -13.079 -7.966 1.00 0.81 H new ATOM 0 HG3 GLN A 84 -4.472 -13.293 -8.823 1.00 0.81 H new ATOM 0 HE21 GLN A 84 -4.078 -14.901 -10.363 1.00 1.81 H new ATOM 0 HE22 GLN A 84 -2.714 -14.885 -11.486 1.00 1.81 H new ATOM 1307 N LYS A 85 -1.763 -8.552 -8.786 1.00 0.15 N ATOM 1308 CA LYS A 85 -1.759 -7.081 -9.005 1.00 0.14 C ATOM 1309 C LYS A 85 -2.733 -6.714 -10.133 1.00 0.17 C ATOM 1310 O LYS A 85 -2.742 -7.343 -11.174 1.00 0.26 O ATOM 1311 CB LYS A 85 -0.338 -6.650 -9.386 1.00 0.18 C ATOM 1312 CG LYS A 85 -0.205 -5.126 -9.295 1.00 0.22 C ATOM 1313 CD LYS A 85 1.279 -4.759 -9.176 1.00 0.36 C ATOM 1314 CE LYS A 85 2.021 -5.242 -10.426 1.00 0.40 C ATOM 1315 NZ LYS A 85 3.380 -4.635 -10.493 1.00 0.95 N ATOM 0 H LYS A 85 -0.927 -9.042 -9.103 1.00 0.15 H new ATOM 0 HA LYS A 85 -2.074 -6.571 -8.095 1.00 0.14 H new ATOM 0 HB2 LYS A 85 0.384 -7.126 -8.723 1.00 0.18 H new ATOM 0 HB3 LYS A 85 -0.108 -6.983 -10.398 1.00 0.18 H new ATOM 0 HG2 LYS A 85 -0.639 -4.657 -10.178 1.00 0.22 H new ATOM 0 HG3 LYS A 85 -0.756 -4.751 -8.432 1.00 0.22 H new ATOM 0 HD2 LYS A 85 1.391 -3.680 -9.066 1.00 0.36 H new ATOM 0 HD3 LYS A 85 1.708 -5.216 -8.285 1.00 0.36 H new ATOM 0 HE2 LYS A 85 2.102 -6.329 -10.411 1.00 0.40 H new ATOM 0 HE3 LYS A 85 1.454 -4.977 -11.318 1.00 0.40 H new ATOM 0 HZ1 LYS A 85 3.882 -4.999 -11.328 1.00 0.95 H new ATOM 0 HZ2 LYS A 85 3.295 -3.601 -10.563 1.00 0.95 H new ATOM 0 HZ3 LYS A 85 3.913 -4.881 -9.634 1.00 0.95 H new ATOM 1329 N VAL A 86 -3.534 -5.702 -9.897 1.00 0.14 N ATOM 1330 CA VAL A 86 -4.525 -5.276 -10.940 1.00 0.17 C ATOM 1331 C VAL A 86 -4.414 -3.769 -11.202 1.00 0.15 C ATOM 1332 O VAL A 86 -4.792 -3.294 -12.254 1.00 0.18 O ATOM 1333 CB VAL A 86 -5.934 -5.598 -10.447 1.00 0.21 C ATOM 1334 CG1 VAL A 86 -6.211 -7.090 -10.645 1.00 0.26 C ATOM 1335 CG2 VAL A 86 -6.038 -5.261 -8.959 1.00 0.23 C ATOM 0 H VAL A 86 -3.546 -5.156 -9.036 1.00 0.14 H new ATOM 0 HA VAL A 86 -4.317 -5.810 -11.867 1.00 0.17 H new ATOM 0 HB VAL A 86 -6.661 -5.011 -11.009 1.00 0.21 H new ATOM 0 HG11 VAL A 86 -7.216 -7.323 -10.294 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.130 -7.338 -11.703 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -5.485 -7.673 -10.079 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.043 -5.490 -8.604 1.00 0.23 H new ATOM 0 HG22 VAL A 86 -5.312 -5.852 -8.400 1.00 0.23 H new ATOM 0 HG23 VAL A 86 -5.833 -4.201 -8.811 1.00 0.23 H new ATOM 1345 N GLY A 87 -3.902 -3.049 -10.238 1.00 0.17 N ATOM 1346 CA GLY A 87 -3.768 -1.575 -10.421 1.00 0.21 C ATOM 1347 C GLY A 87 -2.487 -1.062 -9.765 1.00 0.19 C ATOM 1348 O GLY A 87 -2.013 -1.623 -8.797 1.00 0.17 O ATOM 0 H GLY A 87 -3.575 -3.413 -9.343 1.00 0.17 H new ATOM 0 HA2 GLY A 87 -3.759 -1.335 -11.484 1.00 0.21 H new ATOM 0 HA3 GLY A 87 -4.631 -1.070 -9.988 1.00 0.21 H new ATOM 1352 N GLU A 88 -1.949 -0.006 -10.312 1.00 0.20 N ATOM 1353 CA GLU A 88 -0.703 0.562 -9.727 1.00 0.18 C ATOM 1354 C GLU A 88 -0.449 1.964 -10.279 1.00 0.21 C ATOM 1355 O GLU A 88 -0.362 2.161 -11.476 1.00 0.24 O ATOM 1356 CB GLU A 88 0.474 -0.344 -10.086 1.00 0.17 C ATOM 1357 CG GLU A 88 1.780 0.429 -9.889 1.00 1.33 C ATOM 1358 CD GLU A 88 2.936 -0.562 -9.738 1.00 1.72 C ATOM 1359 OE1 GLU A 88 3.082 -1.365 -10.643 1.00 1.11 O ATOM 1360 OE2 GLU A 88 3.608 -0.458 -8.725 1.00 2.83 O ATOM 0 H GLU A 88 -2.314 0.483 -11.129 1.00 0.20 H new ATOM 0 HA GLU A 88 -0.812 0.624 -8.644 1.00 0.18 H new ATOM 0 HB2 GLU A 88 0.467 -1.236 -9.459 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.388 -0.680 -11.119 1.00 0.17 H new ATOM 0 HG2 GLU A 88 1.959 1.087 -10.740 1.00 1.33 H new ATOM 0 HG3 GLU A 88 1.711 1.063 -9.005 1.00 1.33 H new ATOM 1367 N PHE A 89 -0.337 2.908 -9.392 1.00 0.21 N ATOM 1368 CA PHE A 89 -0.077 4.299 -9.827 1.00 0.23 C ATOM 1369 C PHE A 89 0.759 5.019 -8.767 1.00 0.19 C ATOM 1370 O PHE A 89 0.449 4.964 -7.592 1.00 0.21 O ATOM 1371 CB PHE A 89 -1.414 5.000 -10.012 1.00 0.29 C ATOM 1372 CG PHE A 89 -1.837 5.683 -8.708 1.00 0.28 C ATOM 1373 CD1 PHE A 89 -1.336 6.930 -8.372 1.00 0.23 C ATOM 1374 CD2 PHE A 89 -2.729 5.064 -7.850 1.00 0.34 C ATOM 1375 CE1 PHE A 89 -1.724 7.545 -7.199 1.00 0.25 C ATOM 1376 CE2 PHE A 89 -3.116 5.681 -6.677 1.00 0.37 C ATOM 1377 CZ PHE A 89 -2.614 6.919 -6.353 1.00 0.32 C ATOM 0 H PHE A 89 -0.415 2.774 -8.384 1.00 0.21 H new ATOM 0 HA PHE A 89 0.475 4.308 -10.767 1.00 0.23 H new ATOM 0 HB2 PHE A 89 -1.338 5.738 -10.810 1.00 0.29 H new ATOM 0 HB3 PHE A 89 -2.172 4.279 -10.316 1.00 0.29 H new ATOM 0 HD1 PHE A 89 -0.638 7.424 -9.032 1.00 0.23 H new ATOM 0 HD2 PHE A 89 -3.125 4.091 -8.100 1.00 0.34 H new ATOM 0 HE1 PHE A 89 -1.330 8.518 -6.944 1.00 0.25 H new ATOM 0 HE2 PHE A 89 -3.813 5.191 -6.014 1.00 0.37 H new ATOM 0 HZ PHE A 89 -2.917 7.401 -5.435 1.00 0.32 H new ATOM 1387 N SER A 90 1.802 5.675 -9.207 1.00 0.15 N ATOM 1388 CA SER A 90 2.688 6.394 -8.240 1.00 0.11 C ATOM 1389 C SER A 90 2.645 7.902 -8.483 1.00 0.16 C ATOM 1390 O SER A 90 2.189 8.357 -9.514 1.00 0.37 O ATOM 1391 CB SER A 90 4.120 5.894 -8.415 1.00 0.26 C ATOM 1392 OG SER A 90 4.531 6.448 -9.657 1.00 0.31 O ATOM 0 H SER A 90 2.078 5.744 -10.186 1.00 0.15 H new ATOM 0 HA SER A 90 2.338 6.197 -7.227 1.00 0.11 H new ATOM 0 HB2 SER A 90 4.761 6.227 -7.599 1.00 0.26 H new ATOM 0 HB3 SER A 90 4.163 4.805 -8.431 1.00 0.26 H new ATOM 0 HG SER A 90 5.452 6.174 -9.848 1.00 0.31 H new ATOM 1398 N GLY A 91 3.131 8.641 -7.517 1.00 0.15 N ATOM 1399 CA GLY A 91 3.140 10.130 -7.653 1.00 0.36 C ATOM 1400 C GLY A 91 2.565 10.786 -6.394 1.00 0.53 C ATOM 1401 O GLY A 91 1.628 10.285 -5.803 1.00 0.56 O ATOM 0 H GLY A 91 3.520 8.281 -6.645 1.00 0.15 H new ATOM 0 HA2 GLY A 91 4.159 10.480 -7.820 1.00 0.36 H new ATOM 0 HA3 GLY A 91 2.555 10.425 -8.524 1.00 0.36 H new ATOM 1405 N ALA A 92 3.141 11.893 -6.011 1.00 0.69 N ATOM 1406 CA ALA A 92 2.638 12.600 -4.796 1.00 0.87 C ATOM 1407 C ALA A 92 1.180 13.026 -4.996 1.00 0.81 C ATOM 1408 O ALA A 92 0.898 14.174 -5.276 1.00 1.18 O ATOM 1409 CB ALA A 92 3.501 13.834 -4.544 1.00 1.09 C ATOM 0 H ALA A 92 3.931 12.336 -6.481 1.00 0.69 H new ATOM 0 HA ALA A 92 2.692 11.927 -3.940 1.00 0.87 H new ATOM 0 HB1 ALA A 92 3.140 14.356 -3.658 1.00 1.09 H new ATOM 0 HB2 ALA A 92 4.536 13.529 -4.389 1.00 1.09 H new ATOM 0 HB3 ALA A 92 3.444 14.500 -5.405 1.00 1.09 H new ATOM 1415 N ASN A 93 0.287 12.089 -4.847 1.00 0.54 N ATOM 1416 CA ASN A 93 -1.159 12.415 -5.020 1.00 0.49 C ATOM 1417 C ASN A 93 -2.004 11.526 -4.105 1.00 0.52 C ATOM 1418 O ASN A 93 -1.999 10.317 -4.240 1.00 0.52 O ATOM 1419 CB ASN A 93 -1.558 12.174 -6.475 1.00 0.50 C ATOM 1420 CG ASN A 93 -2.673 13.149 -6.862 1.00 0.50 C ATOM 1421 OD1 ASN A 93 -2.767 13.584 -7.992 1.00 0.53 O ATOM 1422 ND2 ASN A 93 -3.537 13.517 -5.955 1.00 0.50 N ATOM 0 H ASN A 93 0.492 11.117 -4.614 1.00 0.54 H new ATOM 0 HA ASN A 93 -1.329 13.460 -4.760 1.00 0.49 H new ATOM 0 HB2 ASN A 93 -0.696 12.311 -7.128 1.00 0.50 H new ATOM 0 HB3 ASN A 93 -1.896 11.146 -6.606 1.00 0.50 H new ATOM 0 HD21 ASN A 93 -4.285 14.166 -6.197 1.00 0.50 H new ATOM 0 HD22 ASN A 93 -3.464 13.155 -5.004 1.00 0.50 H new ATOM 1429 N LYS A 94 -2.713 12.144 -3.195 1.00 0.61 N ATOM 1430 CA LYS A 94 -3.559 11.347 -2.260 1.00 0.68 C ATOM 1431 C LYS A 94 -5.029 11.391 -2.699 1.00 0.67 C ATOM 1432 O LYS A 94 -5.718 10.390 -2.665 1.00 0.65 O ATOM 1433 CB LYS A 94 -3.435 11.915 -0.839 1.00 0.84 C ATOM 1434 CG LYS A 94 -3.363 13.452 -0.897 1.00 0.43 C ATOM 1435 CD LYS A 94 -1.951 13.914 -1.301 1.00 1.07 C ATOM 1436 CE LYS A 94 -1.372 14.778 -0.176 1.00 1.45 C ATOM 1437 NZ LYS A 94 -2.299 15.900 0.149 1.00 1.28 N ATOM 0 H LYS A 94 -2.742 13.155 -3.060 1.00 0.61 H new ATOM 0 HA LYS A 94 -3.215 10.313 -2.274 1.00 0.68 H new ATOM 0 HB2 LYS A 94 -4.289 11.604 -0.237 1.00 0.84 H new ATOM 0 HB3 LYS A 94 -2.543 11.518 -0.355 1.00 0.84 H new ATOM 0 HG2 LYS A 94 -4.093 13.829 -1.613 1.00 0.43 H new ATOM 0 HG3 LYS A 94 -3.624 13.871 0.075 1.00 0.43 H new ATOM 0 HD2 LYS A 94 -1.310 13.052 -1.482 1.00 1.07 H new ATOM 0 HD3 LYS A 94 -1.992 14.482 -2.230 1.00 1.07 H new ATOM 0 HE2 LYS A 94 -1.206 14.167 0.711 1.00 1.45 H new ATOM 0 HE3 LYS A 94 -0.402 15.175 -0.476 1.00 1.45 H new ATOM 0 HZ1 LYS A 94 -1.748 16.761 0.342 1.00 1.28 H new ATOM 0 HZ2 LYS A 94 -2.935 16.069 -0.656 1.00 1.28 H new ATOM 0 HZ3 LYS A 94 -2.861 15.654 0.989 1.00 1.28 H new ATOM 1451 N GLU A 95 -5.476 12.548 -3.105 1.00 0.70 N ATOM 1452 CA GLU A 95 -6.892 12.672 -3.541 1.00 0.74 C ATOM 1453 C GLU A 95 -7.197 11.653 -4.641 1.00 0.64 C ATOM 1454 O GLU A 95 -8.342 11.380 -4.941 1.00 0.67 O ATOM 1455 CB GLU A 95 -7.132 14.085 -4.069 1.00 0.79 C ATOM 1456 CG GLU A 95 -6.997 15.079 -2.913 1.00 1.75 C ATOM 1457 CD GLU A 95 -7.216 16.499 -3.437 1.00 1.93 C ATOM 1458 OE1 GLU A 95 -6.267 17.018 -4.002 1.00 2.76 O ATOM 1459 OE2 GLU A 95 -8.318 16.985 -3.242 1.00 1.96 O ATOM 0 H GLU A 95 -4.926 13.405 -3.153 1.00 0.70 H new ATOM 0 HA GLU A 95 -7.548 12.479 -2.692 1.00 0.74 H new ATOM 0 HB2 GLU A 95 -6.413 14.321 -4.854 1.00 0.79 H new ATOM 0 HB3 GLU A 95 -8.125 14.157 -4.514 1.00 0.79 H new ATOM 0 HG2 GLU A 95 -7.725 14.850 -2.135 1.00 1.75 H new ATOM 0 HG3 GLU A 95 -6.009 14.995 -2.460 1.00 1.75 H new ATOM 1466 N LYS A 96 -6.161 11.111 -5.219 1.00 0.53 N ATOM 1467 CA LYS A 96 -6.370 10.107 -6.298 1.00 0.44 C ATOM 1468 C LYS A 96 -6.725 8.744 -5.690 1.00 0.37 C ATOM 1469 O LYS A 96 -7.527 8.012 -6.231 1.00 0.35 O ATOM 1470 CB LYS A 96 -5.087 9.982 -7.121 1.00 0.35 C ATOM 1471 CG LYS A 96 -5.277 8.890 -8.180 1.00 0.33 C ATOM 1472 CD LYS A 96 -4.474 9.246 -9.435 1.00 0.64 C ATOM 1473 CE LYS A 96 -5.328 10.132 -10.345 1.00 0.56 C ATOM 1474 NZ LYS A 96 -4.527 10.614 -11.504 1.00 0.85 N ATOM 0 H LYS A 96 -5.188 11.317 -4.993 1.00 0.53 H new ATOM 0 HA LYS A 96 -7.191 10.432 -6.938 1.00 0.44 H new ATOM 0 HB2 LYS A 96 -4.852 10.933 -7.599 1.00 0.35 H new ATOM 0 HB3 LYS A 96 -4.246 9.735 -6.472 1.00 0.35 H new ATOM 0 HG2 LYS A 96 -4.949 7.927 -7.787 1.00 0.33 H new ATOM 0 HG3 LYS A 96 -6.334 8.790 -8.428 1.00 0.33 H new ATOM 0 HD2 LYS A 96 -3.556 9.765 -9.159 1.00 0.64 H new ATOM 0 HD3 LYS A 96 -4.180 8.339 -9.963 1.00 0.64 H new ATOM 0 HE2 LYS A 96 -6.193 9.572 -10.701 1.00 0.56 H new ATOM 0 HE3 LYS A 96 -5.710 10.983 -9.780 1.00 0.56 H new ATOM 0 HZ1 LYS A 96 -5.121 11.214 -12.111 1.00 0.85 H new ATOM 0 HZ2 LYS A 96 -3.716 11.166 -11.160 1.00 0.85 H new ATOM 0 HZ3 LYS A 96 -4.184 9.799 -12.052 1.00 0.85 H new ATOM 1488 N LEU A 97 -6.120 8.437 -4.573 1.00 0.36 N ATOM 1489 CA LEU A 97 -6.408 7.123 -3.917 1.00 0.30 C ATOM 1490 C LEU A 97 -7.920 6.888 -3.830 1.00 0.27 C ATOM 1491 O LEU A 97 -8.431 5.928 -4.365 1.00 0.23 O ATOM 1492 CB LEU A 97 -5.835 7.131 -2.499 1.00 0.29 C ATOM 1493 CG LEU A 97 -4.305 7.228 -2.559 1.00 0.37 C ATOM 1494 CD1 LEU A 97 -3.790 7.732 -1.208 1.00 0.40 C ATOM 1495 CD2 LEU A 97 -3.695 5.843 -2.842 1.00 0.43 C ATOM 0 H LEU A 97 -5.446 9.030 -4.089 1.00 0.36 H new ATOM 0 HA LEU A 97 -5.952 6.330 -4.510 1.00 0.30 H new ATOM 0 HB2 LEU A 97 -6.240 7.973 -1.938 1.00 0.29 H new ATOM 0 HB3 LEU A 97 -6.131 6.224 -1.972 1.00 0.29 H new ATOM 0 HG LEU A 97 -4.019 7.913 -3.357 1.00 0.37 H new ATOM 0 HD11 LEU A 97 -2.703 7.805 -1.237 1.00 0.40 H new ATOM 0 HD12 LEU A 97 -4.215 8.714 -1.000 1.00 0.40 H new ATOM 0 HD13 LEU A 97 -4.085 7.036 -0.423 1.00 0.40 H new ATOM 0 HD21 LEU A 97 -2.609 5.925 -2.882 1.00 0.43 H new ATOM 0 HD22 LEU A 97 -3.978 5.152 -2.048 1.00 0.43 H new ATOM 0 HD23 LEU A 97 -4.066 5.470 -3.797 1.00 0.43 H new ATOM 1507 N GLU A 98 -8.596 7.773 -3.147 1.00 0.37 N ATOM 1508 CA GLU A 98 -10.076 7.623 -2.990 1.00 0.36 C ATOM 1509 C GLU A 98 -10.731 7.170 -4.297 1.00 0.36 C ATOM 1510 O GLU A 98 -11.212 6.060 -4.400 1.00 0.33 O ATOM 1511 CB GLU A 98 -10.669 8.964 -2.556 1.00 0.44 C ATOM 1512 CG GLU A 98 -11.988 8.712 -1.823 1.00 0.92 C ATOM 1513 CD GLU A 98 -11.699 8.418 -0.347 1.00 2.38 C ATOM 1514 OE1 GLU A 98 -10.660 7.825 -0.105 1.00 3.59 O ATOM 1515 OE2 GLU A 98 -12.534 8.804 0.454 1.00 2.64 O ATOM 0 H GLU A 98 -8.191 8.591 -2.692 1.00 0.37 H new ATOM 0 HA GLU A 98 -10.270 6.861 -2.235 1.00 0.36 H new ATOM 0 HB2 GLU A 98 -9.971 9.491 -1.905 1.00 0.44 H new ATOM 0 HB3 GLU A 98 -10.837 9.600 -3.425 1.00 0.44 H new ATOM 0 HG2 GLU A 98 -12.639 9.582 -1.912 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -12.515 7.872 -2.277 1.00 0.92 H new ATOM 1522 N ALA A 99 -10.737 8.032 -5.258 1.00 0.42 N ATOM 1523 CA ALA A 99 -11.369 7.669 -6.564 1.00 0.44 C ATOM 1524 C ALA A 99 -10.772 6.367 -7.106 1.00 0.40 C ATOM 1525 O ALA A 99 -11.481 5.531 -7.632 1.00 0.40 O ATOM 1526 CB ALA A 99 -11.135 8.796 -7.570 1.00 0.51 C ATOM 0 H ALA A 99 -10.338 8.969 -5.209 1.00 0.42 H new ATOM 0 HA ALA A 99 -12.438 7.525 -6.410 1.00 0.44 H new ATOM 0 HB1 ALA A 99 -11.595 8.534 -8.523 1.00 0.51 H new ATOM 0 HB2 ALA A 99 -11.579 9.718 -7.194 1.00 0.51 H new ATOM 0 HB3 ALA A 99 -10.064 8.941 -7.711 1.00 0.51 H new ATOM 1532 N THR A 100 -9.483 6.217 -6.971 1.00 0.38 N ATOM 1533 CA THR A 100 -8.844 4.969 -7.481 1.00 0.34 C ATOM 1534 C THR A 100 -9.461 3.750 -6.799 1.00 0.30 C ATOM 1535 O THR A 100 -9.701 2.741 -7.430 1.00 0.31 O ATOM 1536 CB THR A 100 -7.344 5.009 -7.194 1.00 0.30 C ATOM 1537 OG1 THR A 100 -6.910 6.268 -7.696 1.00 0.30 O ATOM 1538 CG2 THR A 100 -6.591 3.966 -8.018 1.00 0.25 C ATOM 0 H THR A 100 -8.853 6.891 -6.537 1.00 0.38 H new ATOM 0 HA THR A 100 -9.009 4.898 -8.556 1.00 0.34 H new ATOM 0 HB THR A 100 -7.163 4.836 -6.133 1.00 0.30 H new ATOM 0 HG1 THR A 100 -7.149 6.974 -7.060 1.00 0.30 H new ATOM 0 HG21 THR A 100 -5.527 4.021 -7.790 1.00 0.25 H new ATOM 0 HG22 THR A 100 -6.963 2.971 -7.774 1.00 0.25 H new ATOM 0 HG23 THR A 100 -6.745 4.160 -9.079 1.00 0.25 H new ATOM 1546 N ILE A 101 -9.704 3.863 -5.524 1.00 0.26 N ATOM 1547 CA ILE A 101 -10.318 2.716 -4.804 1.00 0.22 C ATOM 1548 C ILE A 101 -11.679 2.433 -5.400 1.00 0.22 C ATOM 1549 O ILE A 101 -12.007 1.305 -5.709 1.00 0.28 O ATOM 1550 CB ILE A 101 -10.466 3.062 -3.320 1.00 0.18 C ATOM 1551 CG1 ILE A 101 -9.151 2.755 -2.599 1.00 0.15 C ATOM 1552 CG2 ILE A 101 -11.587 2.215 -2.712 1.00 0.17 C ATOM 1553 CD1 ILE A 101 -8.970 3.744 -1.445 1.00 0.73 C ATOM 0 H ILE A 101 -9.507 4.687 -4.957 1.00 0.26 H new ATOM 0 HA ILE A 101 -9.684 1.835 -4.903 1.00 0.22 H new ATOM 0 HB ILE A 101 -10.707 4.119 -3.211 1.00 0.18 H new ATOM 0 HG12 ILE A 101 -9.159 1.733 -2.220 1.00 0.15 H new ATOM 0 HG13 ILE A 101 -8.315 2.831 -3.294 1.00 0.15 H new ATOM 0 HG21 ILE A 101 -11.695 2.459 -1.655 1.00 0.17 H new ATOM 0 HG22 ILE A 101 -12.523 2.424 -3.230 1.00 0.17 H new ATOM 0 HG23 ILE A 101 -11.342 1.158 -2.817 1.00 0.17 H new ATOM 0 HD11 ILE A 101 -8.035 3.531 -0.927 1.00 0.73 H new ATOM 0 HD12 ILE A 101 -8.944 4.760 -1.838 1.00 0.73 H new ATOM 0 HD13 ILE A 101 -9.802 3.646 -0.748 1.00 0.73 H new ATOM 1565 N ASN A 102 -12.442 3.464 -5.555 1.00 0.29 N ATOM 1566 CA ASN A 102 -13.786 3.282 -6.146 1.00 0.27 C ATOM 1567 C ASN A 102 -13.639 2.650 -7.526 1.00 0.32 C ATOM 1568 O ASN A 102 -14.596 2.173 -8.102 1.00 0.31 O ATOM 1569 CB ASN A 102 -14.472 4.641 -6.267 1.00 0.36 C ATOM 1570 CG ASN A 102 -15.223 4.713 -7.596 1.00 1.04 C ATOM 1571 OD1 ASN A 102 -16.433 4.623 -7.645 1.00 1.32 O ATOM 1572 ND2 ASN A 102 -14.542 4.875 -8.696 1.00 2.41 N ATOM 0 H ASN A 102 -12.198 4.421 -5.301 1.00 0.29 H new ATOM 0 HA ASN A 102 -14.389 2.633 -5.511 1.00 0.27 H new ATOM 0 HB2 ASN A 102 -15.164 4.787 -5.437 1.00 0.36 H new ATOM 0 HB3 ASN A 102 -13.733 5.440 -6.210 1.00 0.36 H new ATOM 0 HD21 ASN A 102 -15.026 4.926 -9.593 1.00 2.41 H new ATOM 0 HD22 ASN A 102 -13.525 4.951 -8.660 1.00 2.41 H new ATOM 1579 N GLU A 103 -12.431 2.662 -8.027 1.00 0.40 N ATOM 1580 CA GLU A 103 -12.194 2.066 -9.367 1.00 0.48 C ATOM 1581 C GLU A 103 -12.233 0.534 -9.292 1.00 0.46 C ATOM 1582 O GLU A 103 -12.933 -0.103 -10.055 1.00 0.50 O ATOM 1583 CB GLU A 103 -10.827 2.520 -9.877 1.00 0.55 C ATOM 1584 CG GLU A 103 -10.865 2.609 -11.404 1.00 0.75 C ATOM 1585 CD GLU A 103 -11.464 3.955 -11.816 1.00 1.75 C ATOM 1586 OE1 GLU A 103 -10.725 4.923 -11.739 1.00 2.24 O ATOM 1587 OE2 GLU A 103 -12.628 3.940 -12.184 1.00 2.64 O ATOM 0 H GLU A 103 -11.609 3.055 -7.569 1.00 0.40 H new ATOM 0 HA GLU A 103 -12.978 2.397 -10.048 1.00 0.48 H new ATOM 0 HB2 GLU A 103 -10.570 3.490 -9.450 1.00 0.55 H new ATOM 0 HB3 GLU A 103 -10.056 1.818 -9.561 1.00 0.55 H new ATOM 0 HG2 GLU A 103 -9.859 2.505 -11.811 1.00 0.75 H new ATOM 0 HG3 GLU A 103 -11.460 1.792 -11.813 1.00 0.75 H new ATOM 1594 N LEU A 104 -11.485 -0.030 -8.370 1.00 0.42 N ATOM 1595 CA LEU A 104 -11.467 -1.526 -8.258 1.00 0.45 C ATOM 1596 C LEU A 104 -12.384 -2.013 -7.123 1.00 0.37 C ATOM 1597 O LEU A 104 -12.542 -3.200 -6.929 1.00 0.42 O ATOM 1598 CB LEU A 104 -10.038 -2.005 -7.979 1.00 0.47 C ATOM 1599 CG LEU A 104 -9.036 -1.195 -8.809 1.00 0.57 C ATOM 1600 CD1 LEU A 104 -7.647 -1.822 -8.657 1.00 0.59 C ATOM 1601 CD2 LEU A 104 -9.444 -1.231 -10.286 1.00 0.79 C ATOM 0 H LEU A 104 -10.897 0.469 -7.702 1.00 0.42 H new ATOM 0 HA LEU A 104 -11.829 -1.937 -9.201 1.00 0.45 H new ATOM 0 HB2 LEU A 104 -9.812 -1.899 -6.918 1.00 0.47 H new ATOM 0 HB3 LEU A 104 -9.948 -3.064 -8.220 1.00 0.47 H new ATOM 0 HG LEU A 104 -9.022 -0.162 -8.462 1.00 0.57 H new ATOM 0 HD11 LEU A 104 -6.925 -1.254 -9.244 1.00 0.59 H new ATOM 0 HD12 LEU A 104 -7.354 -1.807 -7.607 1.00 0.59 H new ATOM 0 HD13 LEU A 104 -7.672 -2.852 -9.012 1.00 0.59 H new ATOM 0 HD21 LEU A 104 -8.730 -0.655 -10.875 1.00 0.79 H new ATOM 0 HD22 LEU A 104 -9.453 -2.263 -10.636 1.00 0.79 H new ATOM 0 HD23 LEU A 104 -10.439 -0.801 -10.399 1.00 0.79 H new ATOM 1613 N VAL A 105 -12.969 -1.097 -6.397 1.00 0.29 N ATOM 1614 CA VAL A 105 -13.863 -1.531 -5.276 1.00 0.25 C ATOM 1615 C VAL A 105 -14.871 -2.569 -5.780 1.00 0.29 C ATOM 1616 O VAL A 105 -15.353 -3.308 -4.938 1.00 0.93 O ATOM 1617 CB VAL A 105 -14.614 -0.321 -4.721 1.00 0.23 C ATOM 1618 CG1 VAL A 105 -15.771 0.029 -5.659 1.00 0.20 C ATOM 1619 CG2 VAL A 105 -15.175 -0.667 -3.340 1.00 0.37 C ATOM 1620 OXT VAL A 105 -15.100 -2.563 -6.979 1.00 1.47 O ATOM 0 H VAL A 105 -12.872 -0.090 -6.524 1.00 0.29 H new ATOM 0 HA VAL A 105 -13.254 -1.976 -4.489 1.00 0.25 H new ATOM 0 HB VAL A 105 -13.935 0.528 -4.642 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.309 0.892 -5.267 1.00 0.20 H new ATOM 0 HG12 VAL A 105 -15.379 0.265 -6.648 1.00 0.20 H new ATOM 0 HG13 VAL A 105 -16.450 -0.820 -5.731 1.00 0.20 H new ATOM 0 HG21 VAL A 105 -15.712 0.193 -2.939 1.00 0.37 H new ATOM 0 HG22 VAL A 105 -15.857 -1.513 -3.426 1.00 0.37 H new ATOM 0 HG23 VAL A 105 -14.356 -0.928 -2.670 1.00 0.37 H new