USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 796 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 7 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0964 K(o=-0.096,f=-0.96) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.27 F(o=-2.6!,f=-1.3) USER MOD Single : A 44 SER OG : rot 179:sc= 0 USER MOD Single : A 46 SER OG : rot 102:sc= 0.0874 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -0.573 F(o=-1.1,f=-0.57) USER MOD Single : A 63 GLN :FLIP amide:sc= -4.36! C(o=-8.4!,f=-4.4!) USER MOD Single : A 67 SER OG : rot 86:sc= 0.537 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 76 THR OG1 : rot -45:sc= -0.958! USER MOD Single : A 78 GLN : amide:sc= -0.716 K(o=-0.72,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -138:sc= -2.65! (180deg=-5.15!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 150:sc= -1.33 (180deg=-1.96) USER MOD Single : A 90 SER OG : rot -11:sc= 0.553! USER MOD Single : A 93 ASN : amide:sc= -1.05 K(o=-1.1,f=-9.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00331) USER MOD Single : A 100 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 102 ASN : amide:sc= -2.05! C(o=-2!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -5.038 -2.969 8.981 1.00 0.31 N ATOM 21 CA VAL A 2 -3.695 -2.638 8.412 1.00 0.24 C ATOM 22 C VAL A 2 -2.701 -3.742 8.786 1.00 0.23 C ATOM 23 O VAL A 2 -2.922 -4.502 9.707 1.00 0.27 O ATOM 24 CB VAL A 2 -3.216 -1.303 8.986 1.00 0.28 C ATOM 25 CG1 VAL A 2 -2.027 -0.790 8.172 1.00 0.37 C ATOM 26 CG2 VAL A 2 -4.355 -0.283 8.919 1.00 0.32 C ATOM 0 HA VAL A 2 -3.764 -2.563 7.327 1.00 0.24 H new ATOM 0 HB VAL A 2 -2.911 -1.444 10.023 1.00 0.28 H new ATOM 0 HG11 VAL A 2 -1.688 0.161 8.583 1.00 0.37 H new ATOM 0 HG12 VAL A 2 -1.215 -1.515 8.218 1.00 0.37 H new ATOM 0 HG13 VAL A 2 -2.330 -0.649 7.134 1.00 0.37 H new ATOM 0 HG21 VAL A 2 -4.016 0.669 9.328 1.00 0.32 H new ATOM 0 HG22 VAL A 2 -4.659 -0.145 7.881 1.00 0.32 H new ATOM 0 HG23 VAL A 2 -5.203 -0.646 9.500 1.00 0.32 H new ATOM 36 N LYS A 3 -1.607 -3.837 8.076 1.00 0.22 N ATOM 37 CA LYS A 3 -0.597 -4.892 8.388 1.00 0.25 C ATOM 38 C LYS A 3 0.795 -4.397 7.987 1.00 0.24 C ATOM 39 O LYS A 3 1.046 -4.077 6.842 1.00 0.26 O ATOM 40 CB LYS A 3 -0.932 -6.167 7.604 1.00 0.31 C ATOM 41 CG LYS A 3 -0.061 -7.340 8.096 1.00 0.39 C ATOM 42 CD LYS A 3 -0.704 -8.005 9.321 1.00 0.88 C ATOM 43 CE LYS A 3 0.099 -9.249 9.704 1.00 0.95 C ATOM 44 NZ LYS A 3 -0.379 -9.764 11.019 1.00 1.76 N ATOM 0 H LYS A 3 -1.369 -3.229 7.293 1.00 0.22 H new ATOM 0 HA LYS A 3 -0.613 -5.108 9.456 1.00 0.25 H new ATOM 0 HB2 LYS A 3 -1.987 -6.412 7.727 1.00 0.31 H new ATOM 0 HB3 LYS A 3 -0.765 -6.002 6.540 1.00 0.31 H new ATOM 0 HG2 LYS A 3 0.059 -8.072 7.298 1.00 0.39 H new ATOM 0 HG3 LYS A 3 0.936 -6.980 8.351 1.00 0.39 H new ATOM 0 HD2 LYS A 3 -0.731 -7.305 10.156 1.00 0.88 H new ATOM 0 HD3 LYS A 3 -1.736 -8.278 9.100 1.00 0.88 H new ATOM 0 HE2 LYS A 3 -0.013 -10.017 8.938 1.00 0.95 H new ATOM 0 HE3 LYS A 3 1.160 -9.007 9.760 1.00 0.95 H new ATOM 0 HZ1 LYS A 3 0.167 -10.610 11.280 1.00 1.76 H new ATOM 0 HZ2 LYS A 3 -0.251 -9.032 11.746 1.00 1.76 H new ATOM 0 HZ3 LYS A 3 -1.387 -10.010 10.950 1.00 1.76 H new ATOM 58 N GLN A 4 1.702 -4.330 8.924 1.00 0.25 N ATOM 59 CA GLN A 4 3.078 -3.854 8.604 1.00 0.27 C ATOM 60 C GLN A 4 3.888 -4.999 7.988 1.00 0.24 C ATOM 61 O GLN A 4 4.076 -6.036 8.593 1.00 0.23 O ATOM 62 CB GLN A 4 3.754 -3.370 9.894 1.00 0.32 C ATOM 63 CG GLN A 4 5.256 -3.156 9.657 1.00 0.34 C ATOM 64 CD GLN A 4 5.832 -2.266 10.762 1.00 0.42 C ATOM 65 OE1 GLN A 4 6.381 -2.756 11.729 1.00 0.99 O ATOM 66 NE2 GLN A 4 5.730 -0.970 10.658 1.00 0.83 N ATOM 0 H GLN A 4 1.549 -4.585 9.900 1.00 0.25 H new ATOM 0 HA GLN A 4 3.027 -3.032 7.890 1.00 0.27 H new ATOM 0 HB2 GLN A 4 3.295 -2.439 10.227 1.00 0.32 H new ATOM 0 HB3 GLN A 4 3.604 -4.101 10.688 1.00 0.32 H new ATOM 0 HG2 GLN A 4 5.772 -4.116 9.644 1.00 0.34 H new ATOM 0 HG3 GLN A 4 5.418 -2.694 8.683 1.00 0.34 H new ATOM 0 HE21 GLN A 4 5.269 -0.558 9.846 1.00 0.83 H new ATOM 0 HE22 GLN A 4 6.111 -0.368 11.388 1.00 0.83 H new ATOM 75 N ILE A 5 4.379 -4.814 6.790 1.00 0.24 N ATOM 76 CA ILE A 5 5.189 -5.882 6.133 1.00 0.23 C ATOM 77 C ILE A 5 6.658 -5.690 6.511 1.00 0.23 C ATOM 78 O ILE A 5 7.309 -4.770 6.057 1.00 0.25 O ATOM 79 CB ILE A 5 5.036 -5.777 4.612 1.00 0.26 C ATOM 80 CG1 ILE A 5 3.544 -5.624 4.238 1.00 0.27 C ATOM 81 CG2 ILE A 5 5.638 -7.020 3.938 1.00 0.29 C ATOM 82 CD1 ILE A 5 2.675 -6.617 5.025 1.00 0.26 C ATOM 0 H ILE A 5 4.253 -3.966 6.237 1.00 0.24 H new ATOM 0 HA ILE A 5 4.846 -6.863 6.462 1.00 0.23 H new ATOM 0 HB ILE A 5 5.572 -4.896 4.259 1.00 0.26 H new ATOM 0 HG12 ILE A 5 3.216 -4.605 4.444 1.00 0.27 H new ATOM 0 HG13 ILE A 5 3.415 -5.790 3.169 1.00 0.27 H new ATOM 0 HG21 ILE A 5 5.525 -6.938 2.857 1.00 0.29 H new ATOM 0 HG22 ILE A 5 6.696 -7.093 4.188 1.00 0.29 H new ATOM 0 HG23 ILE A 5 5.120 -7.912 4.290 1.00 0.29 H new ATOM 0 HD11 ILE A 5 1.630 -6.489 4.743 1.00 0.26 H new ATOM 0 HD12 ILE A 5 2.990 -7.636 4.798 1.00 0.26 H new ATOM 0 HD13 ILE A 5 2.788 -6.432 6.093 1.00 0.26 H new ATOM 94 N GLU A 6 7.184 -6.541 7.350 1.00 0.23 N ATOM 95 CA GLU A 6 8.610 -6.399 7.771 1.00 0.25 C ATOM 96 C GLU A 6 9.521 -7.182 6.823 1.00 0.25 C ATOM 97 O GLU A 6 10.716 -6.961 6.779 1.00 0.28 O ATOM 98 CB GLU A 6 8.774 -6.943 9.192 1.00 0.30 C ATOM 99 CG GLU A 6 7.809 -6.223 10.137 1.00 0.39 C ATOM 100 CD GLU A 6 8.295 -4.791 10.371 1.00 1.23 C ATOM 101 OE1 GLU A 6 8.104 -3.969 9.490 1.00 1.98 O ATOM 102 OE2 GLU A 6 8.850 -4.541 11.428 1.00 1.94 O ATOM 0 H GLU A 6 6.688 -7.330 7.763 1.00 0.23 H new ATOM 0 HA GLU A 6 8.886 -5.345 7.741 1.00 0.25 H new ATOM 0 HB2 GLU A 6 8.579 -8.015 9.206 1.00 0.30 H new ATOM 0 HB3 GLU A 6 9.801 -6.802 9.529 1.00 0.30 H new ATOM 0 HG2 GLU A 6 6.806 -6.213 9.711 1.00 0.39 H new ATOM 0 HG3 GLU A 6 7.747 -6.756 11.085 1.00 0.39 H new ATOM 109 N SER A 7 8.980 -8.097 6.064 1.00 0.24 N ATOM 110 CA SER A 7 9.840 -8.886 5.131 1.00 0.27 C ATOM 111 C SER A 7 8.984 -9.507 4.026 1.00 0.27 C ATOM 112 O SER A 7 7.777 -9.596 4.132 1.00 0.26 O ATOM 113 CB SER A 7 10.544 -9.996 5.909 1.00 0.32 C ATOM 114 OG SER A 7 9.590 -10.696 6.696 1.00 0.31 O ATOM 0 H SER A 7 7.988 -8.332 6.048 1.00 0.24 H new ATOM 0 HA SER A 7 10.579 -8.223 4.680 1.00 0.27 H new ATOM 0 HB2 SER A 7 11.038 -10.682 5.220 1.00 0.32 H new ATOM 0 HB3 SER A 7 11.319 -9.573 6.548 1.00 0.32 H new ATOM 0 HG SER A 7 10.039 -11.410 7.195 1.00 0.31 H new ATOM 120 N LYS A 8 9.607 -9.939 2.963 1.00 0.30 N ATOM 121 CA LYS A 8 8.843 -10.559 1.844 1.00 0.33 C ATOM 122 C LYS A 8 7.968 -11.692 2.386 1.00 0.33 C ATOM 123 O LYS A 8 6.967 -12.051 1.801 1.00 0.34 O ATOM 124 CB LYS A 8 9.824 -11.120 0.811 1.00 0.39 C ATOM 125 CG LYS A 8 9.082 -11.411 -0.496 1.00 0.43 C ATOM 126 CD LYS A 8 10.084 -11.857 -1.566 1.00 0.59 C ATOM 127 CE LYS A 8 9.425 -11.788 -2.945 1.00 1.06 C ATOM 128 NZ LYS A 8 10.308 -12.443 -3.950 1.00 1.96 N ATOM 0 H LYS A 8 10.616 -9.889 2.822 1.00 0.30 H new ATOM 0 HA LYS A 8 8.209 -9.807 1.375 1.00 0.33 H new ATOM 0 HB2 LYS A 8 10.628 -10.406 0.633 1.00 0.39 H new ATOM 0 HB3 LYS A 8 10.285 -12.032 1.190 1.00 0.39 H new ATOM 0 HG2 LYS A 8 8.334 -12.188 -0.337 1.00 0.43 H new ATOM 0 HG3 LYS A 8 8.550 -10.520 -0.830 1.00 0.43 H new ATOM 0 HD2 LYS A 8 10.967 -11.218 -1.541 1.00 0.59 H new ATOM 0 HD3 LYS A 8 10.420 -12.874 -1.363 1.00 0.59 H new ATOM 0 HE2 LYS A 8 8.454 -12.282 -2.921 1.00 1.06 H new ATOM 0 HE3 LYS A 8 9.247 -10.749 -3.223 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 9.861 -12.397 -4.888 1.00 1.96 H new ATOM 0 HZ2 LYS A 8 11.225 -11.952 -3.979 1.00 1.96 H new ATOM 0 HZ3 LYS A 8 10.456 -13.438 -3.686 1.00 1.96 H new ATOM 142 N THR A 9 8.337 -12.258 3.500 1.00 0.34 N ATOM 143 CA THR A 9 7.521 -13.364 4.074 1.00 0.37 C ATOM 144 C THR A 9 6.104 -12.856 4.345 1.00 0.34 C ATOM 145 O THR A 9 5.134 -13.389 3.841 1.00 0.35 O ATOM 146 CB THR A 9 8.153 -13.840 5.385 1.00 0.42 C ATOM 147 OG1 THR A 9 9.546 -14.041 5.191 1.00 0.46 O ATOM 148 CG2 THR A 9 7.500 -15.152 5.821 1.00 0.51 C ATOM 0 H THR A 9 9.166 -12.004 4.037 1.00 0.34 H new ATOM 0 HA THR A 9 7.484 -14.195 3.369 1.00 0.37 H new ATOM 0 HB THR A 9 7.999 -13.087 6.158 1.00 0.42 H new ATOM 0 HG1 THR A 9 9.953 -14.344 6.030 1.00 0.46 H new ATOM 0 HG21 THR A 9 7.950 -15.490 6.754 1.00 0.51 H new ATOM 0 HG22 THR A 9 6.432 -14.995 5.970 1.00 0.51 H new ATOM 0 HG23 THR A 9 7.652 -15.908 5.050 1.00 0.51 H new ATOM 156 N ALA A 10 5.978 -11.828 5.137 1.00 0.33 N ATOM 157 CA ALA A 10 4.626 -11.280 5.446 1.00 0.33 C ATOM 158 C ALA A 10 3.976 -10.748 4.164 1.00 0.30 C ATOM 159 O ALA A 10 2.768 -10.674 4.057 1.00 0.30 O ATOM 160 CB ALA A 10 4.765 -10.141 6.460 1.00 0.36 C ATOM 0 H ALA A 10 6.755 -11.342 5.585 1.00 0.33 H new ATOM 0 HA ALA A 10 4.000 -12.069 5.862 1.00 0.33 H new ATOM 0 HB1 ALA A 10 3.779 -9.736 6.690 1.00 0.36 H new ATOM 0 HB2 ALA A 10 5.223 -10.521 7.373 1.00 0.36 H new ATOM 0 HB3 ALA A 10 5.391 -9.354 6.040 1.00 0.36 H new ATOM 166 N PHE A 11 4.764 -10.373 3.194 1.00 0.31 N ATOM 167 CA PHE A 11 4.186 -9.841 1.925 1.00 0.30 C ATOM 168 C PHE A 11 3.310 -10.910 1.266 1.00 0.27 C ATOM 169 O PHE A 11 2.143 -10.692 1.003 1.00 0.26 O ATOM 170 CB PHE A 11 5.320 -9.452 0.972 1.00 0.33 C ATOM 171 CG PHE A 11 4.750 -8.747 -0.238 1.00 0.36 C ATOM 172 CD1 PHE A 11 4.199 -7.458 -0.105 1.00 0.41 C ATOM 173 CD2 PHE A 11 4.772 -9.376 -1.499 1.00 0.40 C ATOM 174 CE1 PHE A 11 3.672 -6.798 -1.232 1.00 0.47 C ATOM 175 CE2 PHE A 11 4.244 -8.716 -2.625 1.00 0.45 C ATOM 176 CZ PHE A 11 3.694 -7.427 -2.492 1.00 0.48 C ATOM 0 H PHE A 11 5.783 -10.412 3.224 1.00 0.31 H new ATOM 0 HA PHE A 11 3.578 -8.964 2.147 1.00 0.30 H new ATOM 0 HB2 PHE A 11 6.030 -8.802 1.483 1.00 0.33 H new ATOM 0 HB3 PHE A 11 5.868 -10.341 0.662 1.00 0.33 H new ATOM 0 HD1 PHE A 11 4.181 -6.976 0.861 1.00 0.41 H new ATOM 0 HD2 PHE A 11 5.194 -10.365 -1.602 1.00 0.40 H new ATOM 0 HE1 PHE A 11 3.251 -5.809 -1.130 1.00 0.47 H new ATOM 0 HE2 PHE A 11 4.261 -9.199 -3.591 1.00 0.45 H new ATOM 0 HZ PHE A 11 3.289 -6.921 -3.356 1.00 0.48 H new ATOM 186 N GLN A 12 3.862 -12.059 0.993 1.00 0.32 N ATOM 187 CA GLN A 12 3.061 -13.138 0.346 1.00 0.34 C ATOM 188 C GLN A 12 1.934 -13.581 1.282 1.00 0.29 C ATOM 189 O GLN A 12 0.792 -13.691 0.884 1.00 0.27 O ATOM 190 CB GLN A 12 3.969 -14.331 0.043 1.00 0.45 C ATOM 191 CG GLN A 12 5.101 -13.888 -0.887 1.00 0.65 C ATOM 192 CD GLN A 12 4.556 -13.702 -2.305 1.00 0.94 C ATOM 193 OE1 GLN A 12 3.749 -14.484 -2.765 1.00 1.61 O ATOM 194 NE2 GLN A 12 4.969 -12.692 -3.023 1.00 1.54 N ATOM 0 H GLN A 12 4.834 -12.299 1.190 1.00 0.32 H new ATOM 0 HA GLN A 12 2.630 -12.760 -0.581 1.00 0.34 H new ATOM 0 HB2 GLN A 12 4.381 -14.732 0.969 1.00 0.45 H new ATOM 0 HB3 GLN A 12 3.393 -15.131 -0.423 1.00 0.45 H new ATOM 0 HG2 GLN A 12 5.536 -12.955 -0.528 1.00 0.65 H new ATOM 0 HG3 GLN A 12 5.898 -14.632 -0.887 1.00 0.65 H new ATOM 0 HE21 GLN A 12 5.647 -12.035 -2.637 1.00 1.54 H new ATOM 0 HE22 GLN A 12 4.614 -12.560 -3.970 1.00 1.54 H new ATOM 203 N GLU A 13 2.246 -13.842 2.522 1.00 0.32 N ATOM 204 CA GLU A 13 1.193 -14.285 3.479 1.00 0.33 C ATOM 205 C GLU A 13 0.097 -13.220 3.574 1.00 0.29 C ATOM 206 O GLU A 13 -1.066 -13.527 3.744 1.00 0.29 O ATOM 207 CB GLU A 13 1.816 -14.499 4.859 1.00 0.41 C ATOM 208 CG GLU A 13 2.870 -15.605 4.779 1.00 0.47 C ATOM 209 CD GLU A 13 2.186 -16.942 4.490 1.00 1.29 C ATOM 210 OE1 GLU A 13 1.143 -17.189 5.074 1.00 1.95 O ATOM 211 OE2 GLU A 13 2.715 -17.696 3.690 1.00 2.13 O ATOM 0 H GLU A 13 3.185 -13.768 2.914 1.00 0.32 H new ATOM 0 HA GLU A 13 0.757 -15.219 3.126 1.00 0.33 H new ATOM 0 HB2 GLU A 13 2.271 -13.573 5.211 1.00 0.41 H new ATOM 0 HB3 GLU A 13 1.044 -14.769 5.580 1.00 0.41 H new ATOM 0 HG2 GLU A 13 3.593 -15.377 3.995 1.00 0.47 H new ATOM 0 HG3 GLU A 13 3.424 -15.663 5.716 1.00 0.47 H new ATOM 218 N ALA A 14 0.458 -11.970 3.469 1.00 0.28 N ATOM 219 CA ALA A 14 -0.566 -10.891 3.560 1.00 0.28 C ATOM 220 C ALA A 14 -1.454 -10.911 2.313 1.00 0.25 C ATOM 221 O ALA A 14 -2.642 -10.668 2.383 1.00 0.25 O ATOM 222 CB ALA A 14 0.130 -9.534 3.667 1.00 0.31 C ATOM 0 H ALA A 14 1.416 -11.650 3.324 1.00 0.28 H new ATOM 0 HA ALA A 14 -1.183 -11.056 4.443 1.00 0.28 H new ATOM 0 HB1 ALA A 14 -0.619 -8.745 3.734 1.00 0.31 H new ATOM 0 HB2 ALA A 14 0.756 -9.516 4.559 1.00 0.31 H new ATOM 0 HB3 ALA A 14 0.750 -9.372 2.785 1.00 0.31 H new ATOM 228 N LEU A 15 -0.890 -11.197 1.171 1.00 0.25 N ATOM 229 CA LEU A 15 -1.709 -11.227 -0.075 1.00 0.25 C ATOM 230 C LEU A 15 -2.653 -12.431 -0.039 1.00 0.26 C ATOM 231 O LEU A 15 -3.831 -12.314 -0.315 1.00 0.26 O ATOM 232 CB LEU A 15 -0.787 -11.341 -1.295 1.00 0.29 C ATOM 233 CG LEU A 15 -0.025 -10.018 -1.511 1.00 0.29 C ATOM 234 CD1 LEU A 15 1.217 -10.280 -2.367 1.00 0.32 C ATOM 235 CD2 LEU A 15 -0.918 -8.993 -2.229 1.00 0.41 C ATOM 0 H LEU A 15 0.100 -11.411 1.047 1.00 0.25 H new ATOM 0 HA LEU A 15 -2.292 -10.308 -0.144 1.00 0.25 H new ATOM 0 HB2 LEU A 15 -0.079 -12.157 -1.150 1.00 0.29 H new ATOM 0 HB3 LEU A 15 -1.373 -11.581 -2.182 1.00 0.29 H new ATOM 0 HG LEU A 15 0.265 -9.620 -0.538 1.00 0.29 H new ATOM 0 HD11 LEU A 15 1.757 -9.346 -2.521 1.00 0.32 H new ATOM 0 HD12 LEU A 15 1.865 -10.994 -1.859 1.00 0.32 H new ATOM 0 HD13 LEU A 15 0.915 -10.687 -3.332 1.00 0.32 H new ATOM 0 HD21 LEU A 15 -0.364 -8.065 -2.373 1.00 0.41 H new ATOM 0 HD22 LEU A 15 -1.220 -9.389 -3.198 1.00 0.41 H new ATOM 0 HD23 LEU A 15 -1.804 -8.796 -1.625 1.00 0.41 H new ATOM 247 N ASP A 16 -2.150 -13.585 0.300 1.00 0.28 N ATOM 248 CA ASP A 16 -3.025 -14.790 0.351 1.00 0.30 C ATOM 249 C ASP A 16 -4.028 -14.643 1.498 1.00 0.30 C ATOM 250 O ASP A 16 -5.151 -15.096 1.413 1.00 0.31 O ATOM 251 CB ASP A 16 -2.167 -16.036 0.579 1.00 0.35 C ATOM 252 CG ASP A 16 -3.043 -17.286 0.470 1.00 0.43 C ATOM 253 OD1 ASP A 16 -3.669 -17.634 1.457 1.00 1.15 O ATOM 254 OD2 ASP A 16 -3.071 -17.873 -0.599 1.00 1.12 O ATOM 0 H ASP A 16 -1.173 -13.746 0.544 1.00 0.28 H new ATOM 0 HA ASP A 16 -3.563 -14.889 -0.592 1.00 0.30 H new ATOM 0 HB2 ASP A 16 -1.364 -16.077 -0.156 1.00 0.35 H new ATOM 0 HB3 ASP A 16 -1.698 -15.992 1.562 1.00 0.35 H new ATOM 259 N ALA A 17 -3.630 -14.011 2.567 1.00 0.31 N ATOM 260 CA ALA A 17 -4.562 -13.836 3.717 1.00 0.33 C ATOM 261 C ALA A 17 -5.661 -12.843 3.333 1.00 0.30 C ATOM 262 O ALA A 17 -6.749 -12.867 3.875 1.00 0.32 O ATOM 263 CB ALA A 17 -3.788 -13.299 4.923 1.00 0.39 C ATOM 0 H ALA A 17 -2.701 -13.609 2.694 1.00 0.31 H new ATOM 0 HA ALA A 17 -5.011 -14.796 3.972 1.00 0.33 H new ATOM 0 HB1 ALA A 17 -4.469 -13.171 5.764 1.00 0.39 H new ATOM 0 HB2 ALA A 17 -3.003 -14.005 5.195 1.00 0.39 H new ATOM 0 HB3 ALA A 17 -3.340 -12.338 4.669 1.00 0.39 H new ATOM 269 N ALA A 18 -5.388 -11.971 2.403 1.00 0.29 N ATOM 270 CA ALA A 18 -6.418 -10.979 1.985 1.00 0.28 C ATOM 271 C ALA A 18 -7.624 -11.712 1.396 1.00 0.26 C ATOM 272 O ALA A 18 -8.753 -11.283 1.533 1.00 0.30 O ATOM 273 CB ALA A 18 -5.826 -10.040 0.931 1.00 0.29 C ATOM 0 H ALA A 18 -4.496 -11.902 1.914 1.00 0.29 H new ATOM 0 HA ALA A 18 -6.734 -10.398 2.851 1.00 0.28 H new ATOM 0 HB1 ALA A 18 -6.580 -9.314 0.626 1.00 0.29 H new ATOM 0 HB2 ALA A 18 -4.968 -9.516 1.351 1.00 0.29 H new ATOM 0 HB3 ALA A 18 -5.508 -10.620 0.064 1.00 0.29 H new ATOM 279 N GLY A 19 -7.396 -12.818 0.738 1.00 0.25 N ATOM 280 CA GLY A 19 -8.531 -13.579 0.140 1.00 0.26 C ATOM 281 C GLY A 19 -8.919 -12.952 -1.200 1.00 0.24 C ATOM 282 O GLY A 19 -8.259 -13.150 -2.201 1.00 0.28 O ATOM 0 H GLY A 19 -6.473 -13.227 0.589 1.00 0.25 H new ATOM 0 HA2 GLY A 19 -8.248 -14.622 -0.003 1.00 0.26 H new ATOM 0 HA3 GLY A 19 -9.385 -13.571 0.818 1.00 0.26 H new ATOM 286 N ASP A 20 -9.990 -12.196 -1.225 1.00 0.21 N ATOM 287 CA ASP A 20 -10.440 -11.545 -2.497 1.00 0.21 C ATOM 288 C ASP A 20 -10.768 -10.076 -2.225 1.00 0.18 C ATOM 289 O ASP A 20 -11.303 -9.384 -3.068 1.00 0.20 O ATOM 290 CB ASP A 20 -11.691 -12.256 -3.015 1.00 0.25 C ATOM 291 CG ASP A 20 -11.401 -13.749 -3.177 1.00 1.43 C ATOM 292 OD1 ASP A 20 -10.263 -14.084 -3.462 1.00 2.11 O ATOM 293 OD2 ASP A 20 -12.323 -14.532 -3.012 1.00 2.28 O ATOM 0 H ASP A 20 -10.576 -12.000 -0.413 1.00 0.21 H new ATOM 0 HA ASP A 20 -9.647 -11.611 -3.242 1.00 0.21 H new ATOM 0 HB2 ASP A 20 -12.519 -12.109 -2.321 1.00 0.25 H new ATOM 0 HB3 ASP A 20 -11.996 -11.828 -3.970 1.00 0.25 H new ATOM 298 N LYS A 21 -10.451 -9.593 -1.054 1.00 0.17 N ATOM 299 CA LYS A 21 -10.743 -8.168 -0.735 1.00 0.18 C ATOM 300 C LYS A 21 -9.711 -7.277 -1.431 1.00 0.16 C ATOM 301 O LYS A 21 -8.669 -7.736 -1.854 1.00 0.16 O ATOM 302 CB LYS A 21 -10.671 -7.957 0.784 1.00 0.19 C ATOM 303 CG LYS A 21 -11.963 -8.459 1.436 1.00 0.23 C ATOM 304 CD LYS A 21 -11.758 -8.584 2.947 1.00 0.31 C ATOM 305 CE LYS A 21 -13.018 -9.169 3.586 1.00 0.56 C ATOM 306 NZ LYS A 21 -12.832 -9.256 5.063 1.00 1.59 N ATOM 0 H LYS A 21 -10.003 -10.123 -0.306 1.00 0.17 H new ATOM 0 HA LYS A 21 -11.743 -7.909 -1.084 1.00 0.18 H new ATOM 0 HB2 LYS A 21 -9.814 -8.490 1.195 1.00 0.19 H new ATOM 0 HB3 LYS A 21 -10.526 -6.900 1.008 1.00 0.19 H new ATOM 0 HG2 LYS A 21 -12.781 -7.770 1.225 1.00 0.23 H new ATOM 0 HG3 LYS A 21 -12.244 -9.425 1.015 1.00 0.23 H new ATOM 0 HD2 LYS A 21 -10.901 -9.224 3.157 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -11.539 -7.607 3.377 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.880 -8.544 3.354 1.00 0.56 H new ATOM 0 HE3 LYS A 21 -13.221 -10.158 3.175 1.00 0.56 H new ATOM 0 HZ1 LYS A 21 -13.689 -9.654 5.498 1.00 1.59 H new ATOM 0 HZ2 LYS A 21 -12.019 -9.869 5.275 1.00 1.59 H new ATOM 0 HZ3 LYS A 21 -12.658 -8.306 5.448 1.00 1.59 H new ATOM 320 N LEU A 22 -9.992 -6.009 -1.553 1.00 0.16 N ATOM 321 CA LEU A 22 -9.024 -5.097 -2.226 1.00 0.16 C ATOM 322 C LEU A 22 -7.727 -5.057 -1.402 1.00 0.15 C ATOM 323 O LEU A 22 -7.727 -5.329 -0.219 1.00 0.17 O ATOM 324 CB LEU A 22 -9.653 -3.684 -2.332 1.00 0.19 C ATOM 325 CG LEU A 22 -9.539 -3.139 -3.765 1.00 0.20 C ATOM 326 CD1 LEU A 22 -10.279 -1.801 -3.861 1.00 0.22 C ATOM 327 CD2 LEU A 22 -8.062 -2.928 -4.126 1.00 0.28 C ATOM 0 H LEU A 22 -10.847 -5.566 -1.217 1.00 0.16 H new ATOM 0 HA LEU A 22 -8.793 -5.453 -3.230 1.00 0.16 H new ATOM 0 HB2 LEU A 22 -10.701 -3.725 -2.037 1.00 0.19 H new ATOM 0 HB3 LEU A 22 -9.153 -3.006 -1.640 1.00 0.19 H new ATOM 0 HG LEU A 22 -9.981 -3.855 -4.457 1.00 0.20 H new ATOM 0 HD11 LEU A 22 -10.199 -1.413 -4.877 1.00 0.22 H new ATOM 0 HD12 LEU A 22 -11.330 -1.947 -3.610 1.00 0.22 H new ATOM 0 HD13 LEU A 22 -9.835 -1.089 -3.165 1.00 0.22 H new ATOM 0 HD21 LEU A 22 -7.987 -2.542 -5.143 1.00 0.28 H new ATOM 0 HD22 LEU A 22 -7.616 -2.214 -3.433 1.00 0.28 H new ATOM 0 HD23 LEU A 22 -7.532 -3.878 -4.059 1.00 0.28 H new ATOM 339 N VAL A 23 -6.623 -4.721 -2.019 1.00 0.14 N ATOM 340 CA VAL A 23 -5.328 -4.668 -1.273 1.00 0.15 C ATOM 341 C VAL A 23 -4.446 -3.561 -1.855 1.00 0.14 C ATOM 342 O VAL A 23 -3.761 -3.755 -2.841 1.00 0.16 O ATOM 343 CB VAL A 23 -4.603 -6.011 -1.408 1.00 0.18 C ATOM 344 CG1 VAL A 23 -3.475 -6.086 -0.378 1.00 0.23 C ATOM 345 CG2 VAL A 23 -5.588 -7.156 -1.164 1.00 0.19 C ATOM 0 H VAL A 23 -6.562 -4.481 -3.008 1.00 0.14 H new ATOM 0 HA VAL A 23 -5.528 -4.463 -0.221 1.00 0.15 H new ATOM 0 HB VAL A 23 -4.189 -6.097 -2.413 1.00 0.18 H new ATOM 0 HG11 VAL A 23 -2.958 -7.041 -0.473 1.00 0.23 H new ATOM 0 HG12 VAL A 23 -2.770 -5.273 -0.551 1.00 0.23 H new ATOM 0 HG13 VAL A 23 -3.892 -5.997 0.625 1.00 0.23 H new ATOM 0 HG21 VAL A 23 -5.069 -8.109 -1.261 1.00 0.19 H new ATOM 0 HG22 VAL A 23 -6.005 -7.070 -0.160 1.00 0.19 H new ATOM 0 HG23 VAL A 23 -6.393 -7.105 -1.897 1.00 0.19 H new ATOM 355 N VAL A 24 -4.453 -2.400 -1.250 1.00 0.13 N ATOM 356 CA VAL A 24 -3.614 -1.270 -1.760 1.00 0.13 C ATOM 357 C VAL A 24 -2.337 -1.172 -0.922 1.00 0.13 C ATOM 358 O VAL A 24 -2.382 -0.940 0.270 1.00 0.14 O ATOM 359 CB VAL A 24 -4.401 0.037 -1.643 1.00 0.13 C ATOM 360 CG1 VAL A 24 -3.636 1.158 -2.349 1.00 0.16 C ATOM 361 CG2 VAL A 24 -5.772 -0.136 -2.300 1.00 0.16 C ATOM 0 H VAL A 24 -5.006 -2.184 -0.421 1.00 0.13 H new ATOM 0 HA VAL A 24 -3.354 -1.447 -2.804 1.00 0.13 H new ATOM 0 HB VAL A 24 -4.530 0.292 -0.591 1.00 0.13 H new ATOM 0 HG11 VAL A 24 -4.196 2.089 -2.266 1.00 0.16 H new ATOM 0 HG12 VAL A 24 -2.658 1.280 -1.884 1.00 0.16 H new ATOM 0 HG13 VAL A 24 -3.508 0.904 -3.401 1.00 0.16 H new ATOM 0 HG21 VAL A 24 -6.335 0.794 -2.218 1.00 0.16 H new ATOM 0 HG22 VAL A 24 -5.642 -0.390 -3.352 1.00 0.16 H new ATOM 0 HG23 VAL A 24 -6.317 -0.936 -1.799 1.00 0.16 H new ATOM 371 N VAL A 25 -1.196 -1.346 -1.538 1.00 0.13 N ATOM 372 CA VAL A 25 0.092 -1.264 -0.783 1.00 0.13 C ATOM 373 C VAL A 25 0.691 0.133 -0.948 1.00 0.14 C ATOM 374 O VAL A 25 0.716 0.682 -2.032 1.00 0.25 O ATOM 375 CB VAL A 25 1.072 -2.302 -1.335 1.00 0.14 C ATOM 376 CG1 VAL A 25 2.261 -2.436 -0.383 1.00 0.17 C ATOM 377 CG2 VAL A 25 0.367 -3.655 -1.458 1.00 0.15 C ATOM 0 H VAL A 25 -1.100 -1.542 -2.534 1.00 0.13 H new ATOM 0 HA VAL A 25 -0.093 -1.460 0.273 1.00 0.13 H new ATOM 0 HB VAL A 25 1.423 -1.983 -2.316 1.00 0.14 H new ATOM 0 HG11 VAL A 25 2.960 -3.175 -0.775 1.00 0.17 H new ATOM 0 HG12 VAL A 25 2.764 -1.473 -0.292 1.00 0.17 H new ATOM 0 HG13 VAL A 25 1.908 -2.755 0.598 1.00 0.17 H new ATOM 0 HG21 VAL A 25 1.065 -4.394 -1.851 1.00 0.15 H new ATOM 0 HG22 VAL A 25 0.016 -3.973 -0.476 1.00 0.15 H new ATOM 0 HG23 VAL A 25 -0.483 -3.562 -2.134 1.00 0.15 H new ATOM 387 N ASP A 26 1.175 0.710 0.124 1.00 0.14 N ATOM 388 CA ASP A 26 1.782 2.078 0.055 1.00 0.14 C ATOM 389 C ASP A 26 3.288 1.974 0.304 1.00 0.14 C ATOM 390 O ASP A 26 3.723 1.617 1.381 1.00 0.14 O ATOM 391 CB ASP A 26 1.152 2.965 1.130 1.00 0.15 C ATOM 392 CG ASP A 26 1.849 4.326 1.142 1.00 0.18 C ATOM 393 OD1 ASP A 26 2.335 4.730 0.098 1.00 1.07 O ATOM 394 OD2 ASP A 26 1.885 4.943 2.194 1.00 1.08 O ATOM 0 H ASP A 26 1.176 0.289 1.053 1.00 0.14 H new ATOM 0 HA ASP A 26 1.601 2.511 -0.929 1.00 0.14 H new ATOM 0 HB2 ASP A 26 0.087 3.092 0.934 1.00 0.15 H new ATOM 0 HB3 ASP A 26 1.242 2.490 2.107 1.00 0.15 H new ATOM 399 N PHE A 27 4.087 2.290 -0.682 1.00 0.14 N ATOM 400 CA PHE A 27 5.570 2.216 -0.510 1.00 0.15 C ATOM 401 C PHE A 27 6.115 3.621 -0.251 1.00 0.15 C ATOM 402 O PHE A 27 6.208 4.437 -1.146 1.00 0.20 O ATOM 403 CB PHE A 27 6.203 1.657 -1.787 1.00 0.17 C ATOM 404 CG PHE A 27 5.715 0.245 -2.018 1.00 0.17 C ATOM 405 CD1 PHE A 27 6.251 -0.814 -1.263 1.00 0.16 C ATOM 406 CD2 PHE A 27 4.727 -0.011 -2.988 1.00 0.21 C ATOM 407 CE1 PHE A 27 5.800 -2.131 -1.476 1.00 0.18 C ATOM 408 CE2 PHE A 27 4.275 -1.328 -3.201 1.00 0.22 C ATOM 409 CZ PHE A 27 4.812 -2.388 -2.446 1.00 0.20 C ATOM 0 H PHE A 27 3.775 2.598 -1.603 1.00 0.14 H new ATOM 0 HA PHE A 27 5.810 1.565 0.331 1.00 0.15 H new ATOM 0 HB2 PHE A 27 5.944 2.286 -2.639 1.00 0.17 H new ATOM 0 HB3 PHE A 27 7.290 1.668 -1.701 1.00 0.17 H new ATOM 0 HD1 PHE A 27 7.009 -0.617 -0.519 1.00 0.16 H new ATOM 0 HD2 PHE A 27 4.316 0.802 -3.568 1.00 0.21 H new ATOM 0 HE1 PHE A 27 6.212 -2.944 -0.896 1.00 0.18 H new ATOM 0 HE2 PHE A 27 3.516 -1.525 -3.944 1.00 0.22 H new ATOM 0 HZ PHE A 27 4.466 -3.398 -2.611 1.00 0.20 H new ATOM 419 N SER A 28 6.473 3.911 0.972 1.00 0.16 N ATOM 420 CA SER A 28 7.010 5.265 1.307 1.00 0.16 C ATOM 421 C SER A 28 8.133 5.125 2.336 1.00 0.16 C ATOM 422 O SER A 28 8.345 4.069 2.902 1.00 0.21 O ATOM 423 CB SER A 28 5.888 6.124 1.891 1.00 0.19 C ATOM 424 OG SER A 28 4.793 6.143 0.985 1.00 1.03 O ATOM 0 H SER A 28 6.416 3.265 1.759 1.00 0.16 H new ATOM 0 HA SER A 28 7.400 5.738 0.405 1.00 0.16 H new ATOM 0 HB2 SER A 28 5.571 5.724 2.854 1.00 0.19 H new ATOM 0 HB3 SER A 28 6.246 7.138 2.069 1.00 0.19 H new ATOM 0 HG SER A 28 4.071 6.691 1.356 1.00 1.03 H new ATOM 430 N ALA A 29 8.859 6.185 2.580 1.00 0.23 N ATOM 431 CA ALA A 29 9.977 6.128 3.569 1.00 0.25 C ATOM 432 C ALA A 29 9.474 6.620 4.934 1.00 0.26 C ATOM 433 O ALA A 29 9.351 7.805 5.170 1.00 0.27 O ATOM 434 CB ALA A 29 11.130 7.020 3.071 1.00 0.29 C ATOM 0 H ALA A 29 8.725 7.093 2.134 1.00 0.23 H new ATOM 0 HA ALA A 29 10.335 5.104 3.674 1.00 0.25 H new ATOM 0 HB1 ALA A 29 11.952 6.985 3.786 1.00 0.29 H new ATOM 0 HB2 ALA A 29 11.477 6.660 2.102 1.00 0.29 H new ATOM 0 HB3 ALA A 29 10.779 8.047 2.971 1.00 0.29 H new ATOM 440 N THR A 30 9.187 5.720 5.834 1.00 0.29 N ATOM 441 CA THR A 30 8.701 6.141 7.177 1.00 0.33 C ATOM 442 C THR A 30 9.727 7.081 7.818 1.00 0.35 C ATOM 443 O THR A 30 9.391 7.941 8.606 1.00 0.38 O ATOM 444 CB THR A 30 8.502 4.901 8.064 1.00 0.39 C ATOM 445 OG1 THR A 30 7.774 5.269 9.227 1.00 0.47 O ATOM 446 CG2 THR A 30 9.861 4.318 8.477 1.00 0.39 C ATOM 0 H THR A 30 9.268 4.712 5.697 1.00 0.29 H new ATOM 0 HA THR A 30 7.750 6.663 7.075 1.00 0.33 H new ATOM 0 HB THR A 30 7.950 4.147 7.503 1.00 0.39 H new ATOM 0 HG1 THR A 30 7.644 4.481 9.794 1.00 0.47 H new ATOM 0 HG21 THR A 30 9.705 3.441 9.105 1.00 0.39 H new ATOM 0 HG22 THR A 30 10.420 4.032 7.586 1.00 0.39 H new ATOM 0 HG23 THR A 30 10.424 5.067 9.034 1.00 0.39 H new ATOM 454 N TRP A 31 10.978 6.918 7.482 1.00 0.36 N ATOM 455 CA TRP A 31 12.031 7.793 8.066 1.00 0.40 C ATOM 456 C TRP A 31 11.963 9.174 7.410 1.00 0.39 C ATOM 457 O TRP A 31 12.289 10.176 8.015 1.00 0.46 O ATOM 458 CB TRP A 31 13.404 7.167 7.813 1.00 0.43 C ATOM 459 CG TRP A 31 13.620 7.017 6.343 1.00 0.39 C ATOM 460 CD1 TRP A 31 13.240 5.948 5.605 1.00 0.35 C ATOM 461 CD2 TRP A 31 14.258 7.945 5.423 1.00 0.43 C ATOM 462 NE1 TRP A 31 13.608 6.157 4.288 1.00 0.38 N ATOM 463 CE2 TRP A 31 14.238 7.375 4.121 1.00 0.42 C ATOM 464 CE3 TRP A 31 14.849 9.218 5.587 1.00 0.51 C ATOM 465 CZ2 TRP A 31 14.787 8.046 3.018 1.00 0.50 C ATOM 466 CZ3 TRP A 31 15.402 9.898 4.481 1.00 0.58 C ATOM 467 CH2 TRP A 31 15.371 9.312 3.199 1.00 0.57 C ATOM 0 H TRP A 31 11.316 6.214 6.826 1.00 0.36 H new ATOM 0 HA TRP A 31 11.873 7.896 9.140 1.00 0.40 H new ATOM 0 HB2 TRP A 31 14.186 7.792 8.244 1.00 0.43 H new ATOM 0 HB3 TRP A 31 13.468 6.195 8.302 1.00 0.43 H new ATOM 0 HD1 TRP A 31 12.732 5.073 5.983 1.00 0.35 H new ATOM 0 HE1 TRP A 31 13.435 5.493 3.533 1.00 0.38 H new ATOM 0 HE3 TRP A 31 14.878 9.674 6.566 1.00 0.51 H new ATOM 0 HZ2 TRP A 31 14.761 7.594 2.038 1.00 0.50 H new ATOM 0 HZ3 TRP A 31 15.851 10.871 4.617 1.00 0.58 H new ATOM 0 HH2 TRP A 31 15.796 9.836 2.356 1.00 0.57 H new ATOM 478 N CYS A 32 11.536 9.234 6.178 1.00 0.33 N ATOM 479 CA CYS A 32 11.440 10.548 5.483 1.00 0.35 C ATOM 480 C CYS A 32 10.352 11.391 6.158 1.00 0.34 C ATOM 481 O CYS A 32 9.564 10.893 6.936 1.00 0.33 O ATOM 482 CB CYS A 32 11.094 10.310 4.008 1.00 0.33 C ATOM 483 SG CYS A 32 10.429 11.821 3.260 1.00 0.36 S ATOM 0 H CYS A 32 11.249 8.428 5.622 1.00 0.33 H new ATOM 0 HA CYS A 32 12.390 11.080 5.543 1.00 0.35 H new ATOM 0 HB2 CYS A 32 11.984 9.991 3.466 1.00 0.33 H new ATOM 0 HB3 CYS A 32 10.364 9.505 3.925 1.00 0.33 H new ATOM 488 N GLY A 33 10.310 12.669 5.871 1.00 0.38 N ATOM 489 CA GLY A 33 9.283 13.563 6.498 1.00 0.39 C ATOM 490 C GLY A 33 8.169 13.880 5.490 1.00 0.36 C ATOM 491 O GLY A 33 7.058 13.415 5.648 1.00 0.32 O ATOM 0 H GLY A 33 10.947 13.136 5.225 1.00 0.38 H new ATOM 0 HA2 GLY A 33 8.860 13.081 7.379 1.00 0.39 H new ATOM 0 HA3 GLY A 33 9.752 14.487 6.835 1.00 0.39 H new ATOM 495 N PRO A 34 8.486 14.667 4.482 1.00 0.39 N ATOM 496 CA PRO A 34 7.495 15.044 3.457 1.00 0.39 C ATOM 497 C PRO A 34 6.839 13.787 2.867 1.00 0.33 C ATOM 498 O PRO A 34 5.765 13.844 2.303 1.00 0.33 O ATOM 499 CB PRO A 34 8.302 15.824 2.390 1.00 0.47 C ATOM 500 CG PRO A 34 9.766 15.947 2.908 1.00 0.51 C ATOM 501 CD PRO A 34 9.837 15.233 4.278 1.00 0.47 C ATOM 0 HA PRO A 34 6.682 15.649 3.858 1.00 0.39 H new ATOM 0 HB2 PRO A 34 8.276 15.303 1.433 1.00 0.47 H new ATOM 0 HB3 PRO A 34 7.869 16.811 2.227 1.00 0.47 H new ATOM 0 HG2 PRO A 34 10.462 15.492 2.203 1.00 0.51 H new ATOM 0 HG3 PRO A 34 10.051 16.994 3.007 1.00 0.51 H new ATOM 0 HD2 PRO A 34 10.597 14.452 4.277 1.00 0.47 H new ATOM 0 HD3 PRO A 34 10.098 15.930 5.074 1.00 0.47 H new ATOM 509 N CYS A 35 7.475 12.653 2.994 1.00 0.30 N ATOM 510 CA CYS A 35 6.880 11.404 2.441 1.00 0.27 C ATOM 511 C CYS A 35 5.835 10.865 3.422 1.00 0.23 C ATOM 512 O CYS A 35 4.699 10.622 3.066 1.00 0.24 O ATOM 513 CB CYS A 35 7.982 10.359 2.234 1.00 0.27 C ATOM 514 SG CYS A 35 9.472 11.172 1.602 1.00 0.35 S ATOM 0 H CYS A 35 8.378 12.539 3.455 1.00 0.30 H new ATOM 0 HA CYS A 35 6.404 11.617 1.484 1.00 0.27 H new ATOM 0 HB2 CYS A 35 8.201 9.854 3.175 1.00 0.27 H new ATOM 0 HB3 CYS A 35 7.646 9.595 1.533 1.00 0.27 H new ATOM 519 N LYS A 36 6.215 10.680 4.657 1.00 0.25 N ATOM 520 CA LYS A 36 5.251 10.161 5.668 1.00 0.28 C ATOM 521 C LYS A 36 4.157 11.202 5.906 1.00 0.27 C ATOM 522 O LYS A 36 3.181 10.946 6.578 1.00 0.30 O ATOM 523 CB LYS A 36 5.991 9.889 6.980 1.00 0.37 C ATOM 524 CG LYS A 36 5.037 9.234 7.982 1.00 0.46 C ATOM 525 CD LYS A 36 5.842 8.621 9.131 1.00 0.58 C ATOM 526 CE LYS A 36 6.558 9.728 9.907 1.00 1.19 C ATOM 527 NZ LYS A 36 7.017 9.197 11.221 1.00 2.00 N ATOM 0 H LYS A 36 7.154 10.866 5.010 1.00 0.25 H new ATOM 0 HA LYS A 36 4.801 9.237 5.305 1.00 0.28 H new ATOM 0 HB2 LYS A 36 6.846 9.238 6.798 1.00 0.37 H new ATOM 0 HB3 LYS A 36 6.381 10.821 7.389 1.00 0.37 H new ATOM 0 HG2 LYS A 36 4.336 9.974 8.369 1.00 0.46 H new ATOM 0 HG3 LYS A 36 4.446 8.464 7.487 1.00 0.46 H new ATOM 0 HD2 LYS A 36 5.180 8.067 9.796 1.00 0.58 H new ATOM 0 HD3 LYS A 36 6.569 7.909 8.739 1.00 0.58 H new ATOM 0 HE2 LYS A 36 7.409 10.096 9.334 1.00 1.19 H new ATOM 0 HE3 LYS A 36 5.886 10.573 10.059 1.00 1.19 H new ATOM 0 HZ1 LYS A 36 7.504 9.950 11.749 1.00 2.00 H new ATOM 0 HZ2 LYS A 36 6.196 8.866 11.768 1.00 2.00 H new ATOM 0 HZ3 LYS A 36 7.672 8.404 11.065 1.00 2.00 H new ATOM 541 N MET A 37 4.310 12.376 5.362 1.00 0.27 N ATOM 542 CA MET A 37 3.274 13.427 5.565 1.00 0.30 C ATOM 543 C MET A 37 1.977 13.012 4.865 1.00 0.26 C ATOM 544 O MET A 37 0.928 13.579 5.097 1.00 0.29 O ATOM 545 CB MET A 37 3.769 14.751 4.978 1.00 0.35 C ATOM 546 CG MET A 37 2.894 15.898 5.488 1.00 1.04 C ATOM 547 SD MET A 37 3.493 17.463 4.805 1.00 1.97 S ATOM 548 CE MET A 37 4.698 17.831 6.104 1.00 2.37 C ATOM 0 H MET A 37 5.105 12.654 4.787 1.00 0.27 H new ATOM 0 HA MET A 37 3.086 13.549 6.632 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.808 14.920 5.261 1.00 0.35 H new ATOM 0 HB3 MET A 37 3.737 14.712 3.889 1.00 0.35 H new ATOM 0 HG2 MET A 37 1.856 15.735 5.197 1.00 1.04 H new ATOM 0 HG3 MET A 37 2.918 15.931 6.577 1.00 1.04 H new ATOM 0 HE1 MET A 37 5.197 18.774 5.881 1.00 2.37 H new ATOM 0 HE2 MET A 37 4.186 17.909 7.063 1.00 2.37 H new ATOM 0 HE3 MET A 37 5.438 17.032 6.151 1.00 2.37 H new ATOM 558 N ILE A 38 2.041 12.026 4.005 1.00 0.23 N ATOM 559 CA ILE A 38 0.813 11.573 3.281 1.00 0.23 C ATOM 560 C ILE A 38 0.210 10.355 3.998 1.00 0.21 C ATOM 561 O ILE A 38 -0.545 9.599 3.421 1.00 0.23 O ATOM 562 CB ILE A 38 1.184 11.192 1.837 1.00 0.28 C ATOM 563 CG1 ILE A 38 2.207 12.196 1.296 1.00 0.37 C ATOM 564 CG2 ILE A 38 -0.069 11.214 0.946 1.00 0.36 C ATOM 565 CD1 ILE A 38 2.498 11.886 -0.174 1.00 0.42 C ATOM 0 H ILE A 38 2.892 11.514 3.773 1.00 0.23 H new ATOM 0 HA ILE A 38 0.080 12.380 3.268 1.00 0.23 H new ATOM 0 HB ILE A 38 1.609 10.188 1.831 1.00 0.28 H new ATOM 0 HG12 ILE A 38 1.824 13.211 1.396 1.00 0.37 H new ATOM 0 HG13 ILE A 38 3.127 12.144 1.879 1.00 0.37 H new ATOM 0 HG21 ILE A 38 0.205 10.943 -0.074 1.00 0.36 H new ATOM 0 HG22 ILE A 38 -0.799 10.500 1.328 1.00 0.36 H new ATOM 0 HG23 ILE A 38 -0.502 12.214 0.952 1.00 0.36 H new ATOM 0 HD11 ILE A 38 3.226 12.600 -0.559 1.00 0.42 H new ATOM 0 HD12 ILE A 38 2.900 10.876 -0.260 1.00 0.42 H new ATOM 0 HD13 ILE A 38 1.576 11.960 -0.751 1.00 0.42 H new ATOM 577 N LYS A 39 0.529 10.153 5.255 1.00 0.24 N ATOM 578 CA LYS A 39 -0.046 8.980 5.983 1.00 0.28 C ATOM 579 C LYS A 39 -1.429 9.296 6.609 1.00 0.28 C ATOM 580 O LYS A 39 -2.211 8.382 6.780 1.00 0.31 O ATOM 581 CB LYS A 39 0.952 8.449 7.043 1.00 0.35 C ATOM 582 CG LYS A 39 1.011 9.325 8.318 1.00 0.36 C ATOM 583 CD LYS A 39 1.595 8.501 9.485 1.00 0.44 C ATOM 584 CE LYS A 39 0.491 7.672 10.163 1.00 0.82 C ATOM 585 NZ LYS A 39 1.092 6.442 10.752 1.00 0.70 N ATOM 0 H LYS A 39 1.156 10.743 5.802 1.00 0.24 H new ATOM 0 HA LYS A 39 -0.213 8.192 5.249 1.00 0.28 H new ATOM 0 HB2 LYS A 39 0.671 7.433 7.321 1.00 0.35 H new ATOM 0 HB3 LYS A 39 1.947 8.395 6.601 1.00 0.35 H new ATOM 0 HG2 LYS A 39 1.627 10.206 8.138 1.00 0.36 H new ATOM 0 HG3 LYS A 39 0.013 9.680 8.574 1.00 0.36 H new ATOM 0 HD2 LYS A 39 2.379 7.840 9.115 1.00 0.44 H new ATOM 0 HD3 LYS A 39 2.057 9.167 10.213 1.00 0.44 H new ATOM 0 HE2 LYS A 39 0.003 8.261 10.940 1.00 0.82 H new ATOM 0 HE3 LYS A 39 -0.277 7.404 9.437 1.00 0.82 H new ATOM 0 HZ1 LYS A 39 0.349 5.878 11.212 1.00 0.70 H new ATOM 0 HZ2 LYS A 39 1.538 5.879 10.000 1.00 0.70 H new ATOM 0 HZ3 LYS A 39 1.809 6.709 11.456 1.00 0.70 H new ATOM 599 N PRO A 40 -1.731 10.550 6.941 1.00 0.28 N ATOM 600 CA PRO A 40 -3.044 10.867 7.534 1.00 0.32 C ATOM 601 C PRO A 40 -4.119 10.739 6.447 1.00 0.29 C ATOM 602 O PRO A 40 -5.273 11.054 6.658 1.00 0.32 O ATOM 603 CB PRO A 40 -2.918 12.323 8.038 1.00 0.37 C ATOM 604 CG PRO A 40 -1.527 12.852 7.584 1.00 0.35 C ATOM 605 CD PRO A 40 -0.846 11.726 6.774 1.00 0.28 C ATOM 0 HA PRO A 40 -3.325 10.199 8.348 1.00 0.32 H new ATOM 0 HB2 PRO A 40 -3.717 12.942 7.629 1.00 0.37 H new ATOM 0 HB3 PRO A 40 -3.009 12.363 9.123 1.00 0.37 H new ATOM 0 HG2 PRO A 40 -1.638 13.749 6.975 1.00 0.35 H new ATOM 0 HG3 PRO A 40 -0.920 13.125 8.447 1.00 0.35 H new ATOM 0 HD2 PRO A 40 -0.746 12.000 5.724 1.00 0.28 H new ATOM 0 HD3 PRO A 40 0.158 11.522 7.147 1.00 0.28 H new ATOM 613 N PHE A 41 -3.729 10.282 5.283 1.00 0.24 N ATOM 614 CA PHE A 41 -4.696 10.120 4.152 1.00 0.23 C ATOM 615 C PHE A 41 -4.817 8.635 3.804 1.00 0.20 C ATOM 616 O PHE A 41 -5.840 8.020 4.022 1.00 0.20 O ATOM 617 CB PHE A 41 -4.170 10.889 2.931 1.00 0.24 C ATOM 618 CG PHE A 41 -4.475 12.361 3.085 1.00 0.29 C ATOM 619 CD1 PHE A 41 -5.766 12.843 2.799 1.00 0.35 C ATOM 620 CD2 PHE A 41 -3.469 13.250 3.515 1.00 0.31 C ATOM 621 CE1 PHE A 41 -6.053 14.215 2.941 1.00 0.40 C ATOM 622 CE2 PHE A 41 -3.757 14.621 3.657 1.00 0.36 C ATOM 623 CZ PHE A 41 -5.048 15.103 3.370 1.00 0.39 C ATOM 0 H PHE A 41 -2.770 10.011 5.065 1.00 0.24 H new ATOM 0 HA PHE A 41 -5.673 10.509 4.439 1.00 0.23 H new ATOM 0 HB2 PHE A 41 -3.095 10.739 2.830 1.00 0.24 H new ATOM 0 HB3 PHE A 41 -4.632 10.505 2.021 1.00 0.24 H new ATOM 0 HD1 PHE A 41 -6.537 12.161 2.471 1.00 0.35 H new ATOM 0 HD2 PHE A 41 -2.479 12.880 3.735 1.00 0.31 H new ATOM 0 HE1 PHE A 41 -7.043 14.585 2.721 1.00 0.40 H new ATOM 0 HE2 PHE A 41 -2.987 15.303 3.986 1.00 0.36 H new ATOM 0 HZ PHE A 41 -5.268 16.155 3.479 1.00 0.39 H new ATOM 633 N PHE A 42 -3.780 8.059 3.261 1.00 0.18 N ATOM 634 CA PHE A 42 -3.828 6.615 2.891 1.00 0.17 C ATOM 635 C PHE A 42 -4.110 5.767 4.139 1.00 0.17 C ATOM 636 O PHE A 42 -5.110 5.083 4.226 1.00 0.17 O ATOM 637 CB PHE A 42 -2.479 6.214 2.274 1.00 0.17 C ATOM 638 CG PHE A 42 -2.356 4.706 2.196 1.00 0.17 C ATOM 639 CD1 PHE A 42 -2.868 4.011 1.083 1.00 0.19 C ATOM 640 CD2 PHE A 42 -1.723 3.998 3.236 1.00 0.21 C ATOM 641 CE1 PHE A 42 -2.748 2.610 1.011 1.00 0.21 C ATOM 642 CE2 PHE A 42 -1.604 2.597 3.164 1.00 0.23 C ATOM 643 CZ PHE A 42 -2.117 1.903 2.052 1.00 0.21 C ATOM 0 H PHE A 42 -2.898 8.528 3.057 1.00 0.18 H new ATOM 0 HA PHE A 42 -4.625 6.445 2.167 1.00 0.17 H new ATOM 0 HB2 PHE A 42 -2.387 6.644 1.277 1.00 0.17 H new ATOM 0 HB3 PHE A 42 -1.664 6.620 2.873 1.00 0.17 H new ATOM 0 HD1 PHE A 42 -3.353 4.553 0.284 1.00 0.19 H new ATOM 0 HD2 PHE A 42 -1.329 4.530 4.089 1.00 0.21 H new ATOM 0 HE1 PHE A 42 -3.140 2.078 0.157 1.00 0.21 H new ATOM 0 HE2 PHE A 42 -1.119 2.055 3.962 1.00 0.23 H new ATOM 0 HZ PHE A 42 -2.027 0.828 1.997 1.00 0.21 H new ATOM 653 N HIS A 43 -3.226 5.797 5.098 1.00 0.20 N ATOM 654 CA HIS A 43 -3.426 4.985 6.333 1.00 0.23 C ATOM 655 C HIS A 43 -4.633 5.515 7.121 1.00 0.23 C ATOM 656 O HIS A 43 -5.027 4.948 8.119 1.00 0.26 O ATOM 657 CB HIS A 43 -2.149 5.062 7.183 1.00 0.27 C ATOM 658 CG HIS A 43 -2.392 4.504 8.561 1.00 0.31 C ATOM 659 ND1 HIS A 43 -2.955 5.052 9.688 1.00 0.37 N flip ATOM 660 CD2 HIS A 43 -2.046 3.206 8.905 1.00 0.34 C flip ATOM 661 CE1 HIS A 43 -2.959 4.112 10.714 1.00 0.42 C flip ATOM 662 NE2 HIS A 43 -2.400 3.019 10.190 1.00 0.40 N flip ATOM 0 H HIS A 43 -2.370 6.351 5.080 1.00 0.20 H new ATOM 0 HA HIS A 43 -3.625 3.946 6.069 1.00 0.23 H new ATOM 0 HB2 HIS A 43 -1.348 4.506 6.696 1.00 0.27 H new ATOM 0 HB3 HIS A 43 -1.818 6.098 7.258 1.00 0.27 H new ATOM 0 HD2 HIS A 43 -1.578 2.478 8.259 1.00 0.34 H new ATOM 0 HE1 HIS A 43 -3.334 4.239 11.719 1.00 0.42 H new ATOM 0 HE2 HIS A 43 -2.258 2.148 10.701 1.00 0.40 H new ATOM 670 N SER A 44 -5.225 6.595 6.685 1.00 0.21 N ATOM 671 CA SER A 44 -6.403 7.149 7.421 1.00 0.22 C ATOM 672 C SER A 44 -7.696 6.491 6.927 1.00 0.19 C ATOM 673 O SER A 44 -8.663 6.391 7.656 1.00 0.19 O ATOM 674 CB SER A 44 -6.481 8.659 7.192 1.00 0.26 C ATOM 675 OG SER A 44 -7.828 9.088 7.344 1.00 0.56 O ATOM 0 H SER A 44 -4.946 7.117 5.854 1.00 0.21 H new ATOM 0 HA SER A 44 -6.285 6.942 8.485 1.00 0.22 H new ATOM 0 HB2 SER A 44 -5.839 9.180 7.902 1.00 0.26 H new ATOM 0 HB3 SER A 44 -6.119 8.906 6.194 1.00 0.26 H new ATOM 0 HG SER A 44 -7.879 10.058 7.215 1.00 0.56 H new ATOM 681 N LEU A 45 -7.731 6.045 5.700 1.00 0.20 N ATOM 682 CA LEU A 45 -8.977 5.402 5.184 1.00 0.19 C ATOM 683 C LEU A 45 -9.311 4.181 6.042 1.00 0.20 C ATOM 684 O LEU A 45 -10.391 3.633 5.959 1.00 0.23 O ATOM 685 CB LEU A 45 -8.775 4.957 3.732 1.00 0.22 C ATOM 686 CG LEU A 45 -8.195 6.104 2.901 1.00 0.28 C ATOM 687 CD1 LEU A 45 -8.196 5.708 1.423 1.00 0.32 C ATOM 688 CD2 LEU A 45 -9.041 7.371 3.092 1.00 0.37 C ATOM 0 H LEU A 45 -6.958 6.097 5.036 1.00 0.20 H new ATOM 0 HA LEU A 45 -9.794 6.122 5.229 1.00 0.19 H new ATOM 0 HB2 LEU A 45 -8.104 4.098 3.698 1.00 0.22 H new ATOM 0 HB3 LEU A 45 -9.726 4.636 3.307 1.00 0.22 H new ATOM 0 HG LEU A 45 -7.175 6.305 3.228 1.00 0.28 H new ATOM 0 HD11 LEU A 45 -7.784 6.523 0.828 1.00 0.32 H new ATOM 0 HD12 LEU A 45 -7.588 4.814 1.285 1.00 0.32 H new ATOM 0 HD13 LEU A 45 -9.217 5.505 1.101 1.00 0.32 H new ATOM 0 HD21 LEU A 45 -8.621 8.182 2.497 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -10.064 7.177 2.770 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -9.039 7.654 4.144 1.00 0.37 H new ATOM 700 N SER A 46 -8.399 3.750 6.864 1.00 0.22 N ATOM 701 CA SER A 46 -8.679 2.564 7.719 1.00 0.27 C ATOM 702 C SER A 46 -9.913 2.842 8.583 1.00 0.27 C ATOM 703 O SER A 46 -10.662 1.947 8.919 1.00 0.32 O ATOM 704 CB SER A 46 -7.475 2.291 8.621 1.00 0.32 C ATOM 705 OG SER A 46 -6.329 2.055 7.815 1.00 0.41 O ATOM 0 H SER A 46 -7.475 4.165 6.982 1.00 0.22 H new ATOM 0 HA SER A 46 -8.864 1.694 7.089 1.00 0.27 H new ATOM 0 HB2 SER A 46 -7.301 3.140 9.281 1.00 0.32 H new ATOM 0 HB3 SER A 46 -7.671 1.428 9.257 1.00 0.32 H new ATOM 0 HG SER A 46 -5.771 2.860 7.796 1.00 0.41 H new ATOM 711 N GLU A 47 -10.127 4.079 8.949 1.00 0.27 N ATOM 712 CA GLU A 47 -11.308 4.420 9.799 1.00 0.32 C ATOM 713 C GLU A 47 -12.523 4.729 8.917 1.00 0.29 C ATOM 714 O GLU A 47 -13.654 4.561 9.328 1.00 0.33 O ATOM 715 CB GLU A 47 -10.978 5.648 10.650 1.00 0.39 C ATOM 716 CG GLU A 47 -9.770 5.342 11.536 1.00 0.50 C ATOM 717 CD GLU A 47 -9.446 6.565 12.397 1.00 1.42 C ATOM 718 OE1 GLU A 47 -8.947 7.535 11.850 1.00 2.04 O ATOM 719 OE2 GLU A 47 -9.702 6.511 13.589 1.00 2.22 O ATOM 0 H GLU A 47 -9.534 4.870 8.696 1.00 0.27 H new ATOM 0 HA GLU A 47 -11.541 3.571 10.442 1.00 0.32 H new ATOM 0 HB2 GLU A 47 -10.765 6.503 10.008 1.00 0.39 H new ATOM 0 HB3 GLU A 47 -11.836 5.918 11.266 1.00 0.39 H new ATOM 0 HG2 GLU A 47 -9.980 4.482 12.172 1.00 0.50 H new ATOM 0 HG3 GLU A 47 -8.910 5.080 10.919 1.00 0.50 H new ATOM 726 N LYS A 48 -12.304 5.187 7.714 1.00 0.26 N ATOM 727 CA LYS A 48 -13.455 5.515 6.819 1.00 0.27 C ATOM 728 C LYS A 48 -13.929 4.252 6.096 1.00 0.24 C ATOM 729 O LYS A 48 -15.097 3.918 6.117 1.00 0.29 O ATOM 730 CB LYS A 48 -13.015 6.557 5.789 1.00 0.30 C ATOM 731 CG LYS A 48 -14.217 6.960 4.926 1.00 0.37 C ATOM 732 CD LYS A 48 -13.863 8.183 4.057 1.00 1.00 C ATOM 733 CE LYS A 48 -14.083 9.480 4.846 1.00 1.39 C ATOM 734 NZ LYS A 48 -13.859 10.648 3.948 1.00 2.11 N ATOM 0 H LYS A 48 -11.381 5.349 7.311 1.00 0.26 H new ATOM 0 HA LYS A 48 -14.274 5.913 7.418 1.00 0.27 H new ATOM 0 HB2 LYS A 48 -12.606 7.432 6.293 1.00 0.30 H new ATOM 0 HB3 LYS A 48 -12.222 6.151 5.161 1.00 0.30 H new ATOM 0 HG2 LYS A 48 -14.513 6.126 4.290 1.00 0.37 H new ATOM 0 HG3 LYS A 48 -15.070 7.193 5.564 1.00 0.37 H new ATOM 0 HD2 LYS A 48 -12.824 8.119 3.733 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -14.478 8.188 3.157 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -15.095 9.506 5.250 1.00 1.39 H new ATOM 0 HE3 LYS A 48 -13.400 9.523 5.695 1.00 1.39 H new ATOM 0 HZ1 LYS A 48 -14.008 11.529 4.481 1.00 2.11 H new ATOM 0 HZ2 LYS A 48 -12.885 10.624 3.583 1.00 2.11 H new ATOM 0 HZ3 LYS A 48 -14.528 10.608 3.152 1.00 2.11 H new ATOM 748 N TYR A 49 -13.031 3.550 5.452 1.00 0.27 N ATOM 749 CA TYR A 49 -13.413 2.303 4.715 1.00 0.26 C ATOM 750 C TYR A 49 -12.884 1.083 5.472 1.00 0.26 C ATOM 751 O TYR A 49 -11.774 0.639 5.254 1.00 0.27 O ATOM 752 CB TYR A 49 -12.793 2.339 3.317 1.00 0.29 C ATOM 753 CG TYR A 49 -13.437 3.437 2.506 1.00 0.30 C ATOM 754 CD1 TYR A 49 -12.907 4.742 2.537 1.00 0.32 C ATOM 755 CD2 TYR A 49 -14.569 3.157 1.719 1.00 0.38 C ATOM 756 CE1 TYR A 49 -13.510 5.765 1.779 1.00 0.36 C ATOM 757 CE2 TYR A 49 -15.173 4.180 0.962 1.00 0.43 C ATOM 758 CZ TYR A 49 -14.643 5.484 0.992 1.00 0.39 C ATOM 759 OH TYR A 49 -15.234 6.486 0.250 1.00 0.45 O ATOM 0 H TYR A 49 -12.040 3.788 5.404 1.00 0.27 H new ATOM 0 HA TYR A 49 -14.498 2.240 4.636 1.00 0.26 H new ATOM 0 HB2 TYR A 49 -11.719 2.508 3.389 1.00 0.29 H new ATOM 0 HB3 TYR A 49 -12.932 1.378 2.822 1.00 0.29 H new ATOM 0 HD1 TYR A 49 -12.039 4.958 3.142 1.00 0.32 H new ATOM 0 HD2 TYR A 49 -14.975 2.157 1.695 1.00 0.38 H new ATOM 0 HE1 TYR A 49 -13.103 6.765 1.802 1.00 0.36 H new ATOM 0 HE2 TYR A 49 -16.042 3.964 0.359 1.00 0.43 H new ATOM 0 HH TYR A 49 -16.003 6.123 -0.236 1.00 0.45 H new ATOM 769 N SER A 50 -13.668 0.544 6.366 1.00 0.29 N ATOM 770 CA SER A 50 -13.216 -0.642 7.150 1.00 0.32 C ATOM 771 C SER A 50 -13.193 -1.893 6.263 1.00 0.30 C ATOM 772 O SER A 50 -12.714 -2.934 6.664 1.00 0.39 O ATOM 773 CB SER A 50 -14.174 -0.870 8.319 1.00 0.39 C ATOM 774 OG SER A 50 -15.457 -1.213 7.812 1.00 0.49 O ATOM 0 H SER A 50 -14.607 0.876 6.588 1.00 0.29 H new ATOM 0 HA SER A 50 -12.209 -0.455 7.523 1.00 0.32 H new ATOM 0 HB2 SER A 50 -13.799 -1.666 8.962 1.00 0.39 H new ATOM 0 HB3 SER A 50 -14.240 0.029 8.931 1.00 0.39 H new ATOM 0 HG SER A 50 -16.075 -1.362 8.558 1.00 0.49 H new ATOM 780 N ASN A 51 -13.716 -1.806 5.064 1.00 0.26 N ATOM 781 CA ASN A 51 -13.733 -3.000 4.157 1.00 0.27 C ATOM 782 C ASN A 51 -12.581 -2.914 3.154 1.00 0.25 C ATOM 783 O ASN A 51 -12.683 -3.391 2.041 1.00 0.38 O ATOM 784 CB ASN A 51 -15.062 -3.035 3.397 1.00 0.31 C ATOM 785 CG ASN A 51 -15.229 -4.399 2.724 1.00 0.36 C ATOM 786 OD1 ASN A 51 -15.014 -4.511 1.442 1.00 0.60 O flip ATOM 787 ND2 ASN A 51 -15.560 -5.372 3.372 1.00 0.55 N flip ATOM 0 H ASN A 51 -14.132 -0.961 4.673 1.00 0.26 H new ATOM 0 HA ASN A 51 -13.620 -3.905 4.754 1.00 0.27 H new ATOM 0 HB2 ASN A 51 -15.890 -2.852 4.082 1.00 0.31 H new ATOM 0 HB3 ASN A 51 -15.086 -2.243 2.649 1.00 0.31 H new ATOM 0 HD21 ASN A 51 -15.728 -5.284 4.374 1.00 0.55 H new ATOM 0 HD22 ASN A 51 -15.670 -6.277 2.914 1.00 0.55 H new ATOM 794 N VAL A 52 -11.483 -2.317 3.542 1.00 0.23 N ATOM 795 CA VAL A 52 -10.306 -2.200 2.622 1.00 0.23 C ATOM 796 C VAL A 52 -9.042 -2.620 3.372 1.00 0.22 C ATOM 797 O VAL A 52 -8.844 -2.270 4.518 1.00 0.27 O ATOM 798 CB VAL A 52 -10.166 -0.752 2.153 1.00 0.23 C ATOM 799 CG1 VAL A 52 -8.927 -0.621 1.264 1.00 0.27 C ATOM 800 CG2 VAL A 52 -11.408 -0.358 1.352 1.00 0.25 C ATOM 0 H VAL A 52 -11.348 -1.902 4.464 1.00 0.23 H new ATOM 0 HA VAL A 52 -10.450 -2.846 1.756 1.00 0.23 H new ATOM 0 HB VAL A 52 -10.064 -0.097 3.018 1.00 0.23 H new ATOM 0 HG11 VAL A 52 -8.827 0.412 0.929 1.00 0.27 H new ATOM 0 HG12 VAL A 52 -8.041 -0.906 1.831 1.00 0.27 H new ATOM 0 HG13 VAL A 52 -9.030 -1.275 0.398 1.00 0.27 H new ATOM 0 HG21 VAL A 52 -11.312 0.674 1.016 1.00 0.25 H new ATOM 0 HG22 VAL A 52 -11.506 -1.014 0.487 1.00 0.25 H new ATOM 0 HG23 VAL A 52 -12.293 -0.453 1.982 1.00 0.25 H new ATOM 810 N ILE A 53 -8.186 -3.376 2.737 1.00 0.17 N ATOM 811 CA ILE A 53 -6.932 -3.832 3.412 1.00 0.18 C ATOM 812 C ILE A 53 -5.773 -2.929 2.982 1.00 0.16 C ATOM 813 O ILE A 53 -5.411 -2.879 1.822 1.00 0.16 O ATOM 814 CB ILE A 53 -6.645 -5.286 2.997 1.00 0.20 C ATOM 815 CG1 ILE A 53 -7.963 -6.085 2.939 1.00 0.22 C ATOM 816 CG2 ILE A 53 -5.664 -5.946 3.982 1.00 0.24 C ATOM 817 CD1 ILE A 53 -8.726 -6.001 4.270 1.00 0.24 C ATOM 0 H ILE A 53 -8.300 -3.699 1.776 1.00 0.17 H new ATOM 0 HA ILE A 53 -7.045 -3.778 4.495 1.00 0.18 H new ATOM 0 HB ILE A 53 -6.187 -5.284 2.008 1.00 0.20 H new ATOM 0 HG12 ILE A 53 -8.589 -5.700 2.134 1.00 0.22 H new ATOM 0 HG13 ILE A 53 -7.749 -7.128 2.706 1.00 0.22 H new ATOM 0 HG21 ILE A 53 -5.473 -6.973 3.672 1.00 0.24 H new ATOM 0 HG22 ILE A 53 -4.727 -5.389 3.990 1.00 0.24 H new ATOM 0 HG23 ILE A 53 -6.096 -5.943 4.983 1.00 0.24 H new ATOM 0 HD11 ILE A 53 -9.650 -6.574 4.196 1.00 0.24 H new ATOM 0 HD12 ILE A 53 -8.108 -6.409 5.070 1.00 0.24 H new ATOM 0 HD13 ILE A 53 -8.962 -4.960 4.489 1.00 0.24 H new ATOM 829 N PHE A 54 -5.195 -2.208 3.912 1.00 0.16 N ATOM 830 CA PHE A 54 -4.058 -1.292 3.578 1.00 0.15 C ATOM 831 C PHE A 54 -2.756 -1.866 4.131 1.00 0.15 C ATOM 832 O PHE A 54 -2.649 -2.171 5.301 1.00 0.18 O ATOM 833 CB PHE A 54 -4.306 0.075 4.221 1.00 0.17 C ATOM 834 CG PHE A 54 -5.639 0.618 3.769 1.00 0.17 C ATOM 835 CD1 PHE A 54 -5.749 1.268 2.526 1.00 0.18 C ATOM 836 CD2 PHE A 54 -6.771 0.477 4.593 1.00 0.17 C ATOM 837 CE1 PHE A 54 -6.992 1.778 2.106 1.00 0.19 C ATOM 838 CE2 PHE A 54 -8.014 0.989 4.175 1.00 0.18 C ATOM 839 CZ PHE A 54 -8.125 1.638 2.931 1.00 0.19 C ATOM 0 H PHE A 54 -5.464 -2.215 4.896 1.00 0.16 H new ATOM 0 HA PHE A 54 -3.985 -1.190 2.495 1.00 0.15 H new ATOM 0 HB2 PHE A 54 -4.289 -0.015 5.307 1.00 0.17 H new ATOM 0 HB3 PHE A 54 -3.509 0.766 3.946 1.00 0.17 H new ATOM 0 HD1 PHE A 54 -4.880 1.376 1.894 1.00 0.18 H new ATOM 0 HD2 PHE A 54 -6.686 -0.024 5.546 1.00 0.17 H new ATOM 0 HE1 PHE A 54 -7.077 2.276 1.152 1.00 0.19 H new ATOM 0 HE2 PHE A 54 -8.882 0.884 4.809 1.00 0.18 H new ATOM 0 HZ PHE A 54 -9.079 2.029 2.609 1.00 0.19 H new ATOM 849 N LEU A 55 -1.759 -2.006 3.295 1.00 0.14 N ATOM 850 CA LEU A 55 -0.444 -2.551 3.753 1.00 0.15 C ATOM 851 C LEU A 55 0.566 -1.403 3.810 1.00 0.16 C ATOM 852 O LEU A 55 0.639 -0.587 2.913 1.00 0.17 O ATOM 853 CB LEU A 55 0.046 -3.611 2.756 1.00 0.17 C ATOM 854 CG LEU A 55 -0.656 -4.950 3.019 1.00 0.19 C ATOM 855 CD1 LEU A 55 -2.165 -4.820 2.758 1.00 0.22 C ATOM 856 CD2 LEU A 55 -0.064 -6.014 2.091 1.00 0.23 C ATOM 0 H LEU A 55 -1.800 -1.764 2.305 1.00 0.14 H new ATOM 0 HA LEU A 55 -0.551 -3.006 4.738 1.00 0.15 H new ATOM 0 HB2 LEU A 55 -0.153 -3.282 1.736 1.00 0.17 H new ATOM 0 HB3 LEU A 55 1.125 -3.734 2.846 1.00 0.17 H new ATOM 0 HG LEU A 55 -0.505 -5.238 4.059 1.00 0.19 H new ATOM 0 HD11 LEU A 55 -2.651 -5.777 2.948 1.00 0.22 H new ATOM 0 HD12 LEU A 55 -2.585 -4.062 3.419 1.00 0.22 H new ATOM 0 HD13 LEU A 55 -2.331 -4.529 1.721 1.00 0.22 H new ATOM 0 HD21 LEU A 55 -0.557 -6.969 2.271 1.00 0.23 H new ATOM 0 HD22 LEU A 55 -0.216 -5.717 1.053 1.00 0.23 H new ATOM 0 HD23 LEU A 55 1.004 -6.114 2.287 1.00 0.23 H new ATOM 868 N GLU A 56 1.347 -1.337 4.861 1.00 0.18 N ATOM 869 CA GLU A 56 2.363 -0.244 4.994 1.00 0.20 C ATOM 870 C GLU A 56 3.761 -0.857 4.915 1.00 0.21 C ATOM 871 O GLU A 56 4.227 -1.490 5.842 1.00 0.35 O ATOM 872 CB GLU A 56 2.184 0.452 6.349 1.00 0.23 C ATOM 873 CG GLU A 56 2.934 1.787 6.345 1.00 0.28 C ATOM 874 CD GLU A 56 2.665 2.530 7.655 1.00 0.42 C ATOM 875 OE1 GLU A 56 1.562 2.411 8.165 1.00 1.17 O ATOM 876 OE2 GLU A 56 3.565 3.205 8.126 1.00 1.25 O ATOM 0 H GLU A 56 1.325 -1.998 5.638 1.00 0.18 H new ATOM 0 HA GLU A 56 2.234 0.485 4.194 1.00 0.20 H new ATOM 0 HB2 GLU A 56 1.125 0.619 6.546 1.00 0.23 H new ATOM 0 HB3 GLU A 56 2.560 -0.186 7.149 1.00 0.23 H new ATOM 0 HG2 GLU A 56 4.004 1.614 6.226 1.00 0.28 H new ATOM 0 HG3 GLU A 56 2.613 2.394 5.498 1.00 0.28 H new ATOM 883 N VAL A 57 4.430 -0.678 3.804 1.00 0.16 N ATOM 884 CA VAL A 57 5.801 -1.251 3.634 1.00 0.17 C ATOM 885 C VAL A 57 6.842 -0.139 3.756 1.00 0.15 C ATOM 886 O VAL A 57 6.742 0.893 3.123 1.00 0.16 O ATOM 887 CB VAL A 57 5.907 -1.884 2.247 1.00 0.20 C ATOM 888 CG1 VAL A 57 7.179 -2.729 2.166 1.00 0.26 C ATOM 889 CG2 VAL A 57 4.685 -2.771 1.997 1.00 0.23 C ATOM 0 H VAL A 57 4.082 -0.155 3.000 1.00 0.16 H new ATOM 0 HA VAL A 57 5.980 -2.002 4.404 1.00 0.17 H new ATOM 0 HB VAL A 57 5.946 -1.099 1.491 1.00 0.20 H new ATOM 0 HG11 VAL A 57 7.254 -3.180 1.177 1.00 0.26 H new ATOM 0 HG12 VAL A 57 8.048 -2.096 2.343 1.00 0.26 H new ATOM 0 HG13 VAL A 57 7.143 -3.514 2.921 1.00 0.26 H new ATOM 0 HG21 VAL A 57 4.760 -3.223 1.008 1.00 0.23 H new ATOM 0 HG22 VAL A 57 4.644 -3.556 2.752 1.00 0.23 H new ATOM 0 HG23 VAL A 57 3.779 -2.167 2.052 1.00 0.23 H new ATOM 899 N ASP A 58 7.849 -0.345 4.565 1.00 0.16 N ATOM 900 CA ASP A 58 8.911 0.693 4.729 1.00 0.17 C ATOM 901 C ASP A 58 10.082 0.355 3.802 1.00 0.16 C ATOM 902 O ASP A 58 10.737 -0.656 3.959 1.00 0.17 O ATOM 903 CB ASP A 58 9.388 0.700 6.187 1.00 0.20 C ATOM 904 CG ASP A 58 10.120 2.010 6.488 1.00 0.24 C ATOM 905 OD1 ASP A 58 9.718 3.027 5.950 1.00 1.11 O ATOM 906 OD2 ASP A 58 11.068 1.972 7.254 1.00 1.10 O ATOM 0 H ASP A 58 7.982 -1.190 5.121 1.00 0.16 H new ATOM 0 HA ASP A 58 8.517 1.677 4.475 1.00 0.17 H new ATOM 0 HB2 ASP A 58 8.537 0.586 6.858 1.00 0.20 H new ATOM 0 HB3 ASP A 58 10.051 -0.147 6.366 1.00 0.20 H new ATOM 911 N VAL A 59 10.341 1.183 2.828 1.00 0.16 N ATOM 912 CA VAL A 59 11.460 0.897 1.883 1.00 0.17 C ATOM 913 C VAL A 59 12.800 0.884 2.629 1.00 0.19 C ATOM 914 O VAL A 59 13.849 0.786 2.023 1.00 0.22 O ATOM 915 CB VAL A 59 11.494 1.966 0.788 1.00 0.18 C ATOM 916 CG1 VAL A 59 10.275 1.803 -0.122 1.00 0.19 C ATOM 917 CG2 VAL A 59 11.466 3.356 1.425 1.00 0.22 C ATOM 0 H VAL A 59 9.827 2.045 2.645 1.00 0.16 H new ATOM 0 HA VAL A 59 11.298 -0.083 1.434 1.00 0.17 H new ATOM 0 HB VAL A 59 12.406 1.853 0.203 1.00 0.18 H new ATOM 0 HG11 VAL A 59 10.299 2.564 -0.902 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.292 0.814 -0.580 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.364 1.915 0.466 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.490 4.115 0.643 1.00 0.22 H new ATOM 0 HG22 VAL A 59 10.555 3.469 2.012 1.00 0.22 H new ATOM 0 HG23 VAL A 59 12.333 3.476 2.074 1.00 0.22 H new ATOM 927 N ASP A 60 12.776 0.980 3.939 1.00 0.19 N ATOM 928 CA ASP A 60 14.048 0.972 4.735 1.00 0.21 C ATOM 929 C ASP A 60 14.115 -0.311 5.567 1.00 0.22 C ATOM 930 O ASP A 60 15.164 -0.899 5.734 1.00 0.25 O ATOM 931 CB ASP A 60 14.072 2.188 5.668 1.00 0.24 C ATOM 932 CG ASP A 60 14.440 3.440 4.868 1.00 0.26 C ATOM 933 OD1 ASP A 60 13.945 3.581 3.764 1.00 1.04 O ATOM 934 OD2 ASP A 60 15.214 4.236 5.376 1.00 1.02 O ATOM 0 H ASP A 60 11.925 1.064 4.494 1.00 0.19 H new ATOM 0 HA ASP A 60 14.903 1.015 4.060 1.00 0.21 H new ATOM 0 HB2 ASP A 60 13.097 2.318 6.138 1.00 0.24 H new ATOM 0 HB3 ASP A 60 14.794 2.030 6.469 1.00 0.24 H new ATOM 939 N ASP A 61 13.002 -0.750 6.091 1.00 0.22 N ATOM 940 CA ASP A 61 13.001 -1.996 6.912 1.00 0.25 C ATOM 941 C ASP A 61 12.816 -3.210 5.999 1.00 0.21 C ATOM 942 O ASP A 61 13.458 -4.227 6.168 1.00 0.22 O ATOM 943 CB ASP A 61 11.849 -1.939 7.917 1.00 0.31 C ATOM 944 CG ASP A 61 11.998 -3.075 8.930 1.00 0.37 C ATOM 945 OD1 ASP A 61 12.947 -3.040 9.695 1.00 1.17 O ATOM 946 OD2 ASP A 61 11.159 -3.962 8.924 1.00 1.11 O ATOM 0 H ASP A 61 12.093 -0.300 5.986 1.00 0.22 H new ATOM 0 HA ASP A 61 13.949 -2.082 7.444 1.00 0.25 H new ATOM 0 HB2 ASP A 61 11.848 -0.978 8.431 1.00 0.31 H new ATOM 0 HB3 ASP A 61 10.895 -2.024 7.397 1.00 0.31 H new ATOM 951 N ALA A 62 11.938 -3.108 5.032 1.00 0.20 N ATOM 952 CA ALA A 62 11.694 -4.253 4.096 1.00 0.19 C ATOM 953 C ALA A 62 12.347 -3.959 2.744 1.00 0.19 C ATOM 954 O ALA A 62 11.706 -4.003 1.712 1.00 0.18 O ATOM 955 CB ALA A 62 10.187 -4.431 3.902 1.00 0.23 C ATOM 0 H ALA A 62 11.376 -2.277 4.849 1.00 0.20 H new ATOM 0 HA ALA A 62 12.123 -5.163 4.515 1.00 0.19 H new ATOM 0 HB1 ALA A 62 10.003 -5.263 3.222 1.00 0.23 H new ATOM 0 HB2 ALA A 62 9.718 -4.639 4.864 1.00 0.23 H new ATOM 0 HB3 ALA A 62 9.764 -3.519 3.482 1.00 0.23 H new ATOM 961 N GLN A 63 13.618 -3.661 2.737 1.00 0.23 N ATOM 962 CA GLN A 63 14.307 -3.367 1.447 1.00 0.25 C ATOM 963 C GLN A 63 14.164 -4.570 0.511 1.00 0.23 C ATOM 964 O GLN A 63 14.423 -4.482 -0.673 1.00 0.24 O ATOM 965 CB GLN A 63 15.796 -3.078 1.703 1.00 0.31 C ATOM 966 CG GLN A 63 15.968 -2.290 3.016 1.00 1.06 C ATOM 967 CD GLN A 63 16.040 -3.256 4.205 1.00 1.56 C ATOM 968 OE1 GLN A 63 15.706 -4.507 4.038 1.00 2.17 O flip ATOM 969 NE2 GLN A 63 16.406 -2.867 5.297 1.00 2.19 N flip ATOM 0 H GLN A 63 14.209 -3.608 3.567 1.00 0.23 H new ATOM 0 HA GLN A 63 13.852 -2.491 0.984 1.00 0.25 H new ATOM 0 HB2 GLN A 63 16.351 -4.014 1.757 1.00 0.31 H new ATOM 0 HB3 GLN A 63 16.211 -2.508 0.872 1.00 0.31 H new ATOM 0 HG2 GLN A 63 16.875 -1.688 2.971 1.00 1.06 H new ATOM 0 HG3 GLN A 63 15.134 -1.601 3.147 1.00 1.06 H new ATOM 0 HE21 GLN A 63 16.667 -1.890 5.429 1.00 2.19 H new ATOM 0 HE22 GLN A 63 16.452 -3.518 6.081 1.00 2.19 H new ATOM 978 N ASP A 64 13.751 -5.693 1.032 1.00 0.22 N ATOM 979 CA ASP A 64 13.588 -6.897 0.170 1.00 0.23 C ATOM 980 C ASP A 64 12.362 -6.705 -0.722 1.00 0.22 C ATOM 981 O ASP A 64 12.378 -7.021 -1.895 1.00 0.25 O ATOM 982 CB ASP A 64 13.394 -8.134 1.052 1.00 0.25 C ATOM 983 CG ASP A 64 12.418 -7.807 2.182 1.00 0.22 C ATOM 984 OD1 ASP A 64 12.790 -7.041 3.056 1.00 1.10 O ATOM 985 OD2 ASP A 64 11.314 -8.327 2.156 1.00 1.08 O ATOM 0 H ASP A 64 13.520 -5.828 2.016 1.00 0.22 H new ATOM 0 HA ASP A 64 14.475 -7.034 -0.448 1.00 0.23 H new ATOM 0 HB2 ASP A 64 13.012 -8.963 0.456 1.00 0.25 H new ATOM 0 HB3 ASP A 64 14.351 -8.453 1.465 1.00 0.25 H new ATOM 990 N VAL A 65 11.302 -6.179 -0.174 1.00 0.22 N ATOM 991 CA VAL A 65 10.077 -5.954 -0.989 1.00 0.23 C ATOM 992 C VAL A 65 10.305 -4.752 -1.907 1.00 0.23 C ATOM 993 O VAL A 65 9.840 -4.716 -3.029 1.00 0.27 O ATOM 994 CB VAL A 65 8.893 -5.677 -0.062 1.00 0.25 C ATOM 995 CG1 VAL A 65 7.623 -5.492 -0.894 1.00 0.29 C ATOM 996 CG2 VAL A 65 8.709 -6.859 0.892 1.00 0.30 C ATOM 0 H VAL A 65 11.232 -5.895 0.803 1.00 0.22 H new ATOM 0 HA VAL A 65 9.863 -6.838 -1.589 1.00 0.23 H new ATOM 0 HB VAL A 65 9.085 -4.770 0.512 1.00 0.25 H new ATOM 0 HG11 VAL A 65 6.780 -5.295 -0.232 1.00 0.29 H new ATOM 0 HG12 VAL A 65 7.754 -4.651 -1.576 1.00 0.29 H new ATOM 0 HG13 VAL A 65 7.429 -6.398 -1.468 1.00 0.29 H new ATOM 0 HG21 VAL A 65 7.865 -6.664 1.554 1.00 0.30 H new ATOM 0 HG22 VAL A 65 8.517 -7.765 0.317 1.00 0.30 H new ATOM 0 HG23 VAL A 65 9.613 -6.991 1.486 1.00 0.30 H new ATOM 1006 N ALA A 66 11.022 -3.768 -1.438 1.00 0.22 N ATOM 1007 CA ALA A 66 11.286 -2.569 -2.280 1.00 0.26 C ATOM 1008 C ALA A 66 12.183 -2.961 -3.455 1.00 0.28 C ATOM 1009 O ALA A 66 12.066 -2.434 -4.542 1.00 0.32 O ATOM 1010 CB ALA A 66 11.988 -1.501 -1.439 1.00 0.30 C ATOM 0 H ALA A 66 11.437 -3.743 -0.506 1.00 0.22 H new ATOM 0 HA ALA A 66 10.343 -2.174 -2.657 1.00 0.26 H new ATOM 0 HB1 ALA A 66 12.182 -0.623 -2.054 1.00 0.30 H new ATOM 0 HB2 ALA A 66 11.351 -1.222 -0.599 1.00 0.30 H new ATOM 0 HB3 ALA A 66 12.932 -1.896 -1.063 1.00 0.30 H new ATOM 1016 N SER A 67 13.079 -3.885 -3.242 1.00 0.32 N ATOM 1017 CA SER A 67 13.986 -4.314 -4.341 1.00 0.40 C ATOM 1018 C SER A 67 13.185 -5.089 -5.392 1.00 0.41 C ATOM 1019 O SER A 67 13.155 -4.729 -6.552 1.00 0.46 O ATOM 1020 CB SER A 67 15.086 -5.212 -3.770 1.00 0.47 C ATOM 1021 OG SER A 67 16.036 -4.408 -3.081 1.00 1.35 O ATOM 0 H SER A 67 13.222 -4.362 -2.352 1.00 0.32 H new ATOM 0 HA SER A 67 14.437 -3.437 -4.805 1.00 0.40 H new ATOM 0 HB2 SER A 67 14.655 -5.948 -3.092 1.00 0.47 H new ATOM 0 HB3 SER A 67 15.574 -5.765 -4.573 1.00 0.47 H new ATOM 0 HG SER A 67 15.737 -4.267 -2.158 1.00 1.35 H new ATOM 1027 N GLU A 68 12.537 -6.148 -4.995 1.00 0.40 N ATOM 1028 CA GLU A 68 11.740 -6.944 -5.972 1.00 0.46 C ATOM 1029 C GLU A 68 10.616 -6.076 -6.544 1.00 0.46 C ATOM 1030 O GLU A 68 10.210 -6.239 -7.677 1.00 0.54 O ATOM 1031 CB GLU A 68 11.135 -8.159 -5.266 1.00 0.48 C ATOM 1032 CG GLU A 68 10.574 -9.129 -6.309 1.00 0.60 C ATOM 1033 CD GLU A 68 11.728 -9.792 -7.063 1.00 1.52 C ATOM 1034 OE1 GLU A 68 12.610 -10.323 -6.409 1.00 2.22 O ATOM 1035 OE2 GLU A 68 11.710 -9.757 -8.282 1.00 2.32 O ATOM 0 H GLU A 68 12.524 -6.498 -4.037 1.00 0.40 H new ATOM 0 HA GLU A 68 12.389 -7.278 -6.782 1.00 0.46 H new ATOM 0 HB2 GLU A 68 11.893 -8.657 -4.662 1.00 0.48 H new ATOM 0 HB3 GLU A 68 10.344 -7.842 -4.587 1.00 0.48 H new ATOM 0 HG2 GLU A 68 9.960 -9.887 -5.823 1.00 0.60 H new ATOM 0 HG3 GLU A 68 9.928 -8.596 -7.007 1.00 0.60 H new ATOM 1042 N ALA A 69 10.109 -5.158 -5.768 1.00 0.40 N ATOM 1043 CA ALA A 69 9.011 -4.284 -6.269 1.00 0.44 C ATOM 1044 C ALA A 69 9.580 -3.258 -7.253 1.00 0.44 C ATOM 1045 O ALA A 69 8.851 -2.532 -7.898 1.00 0.52 O ATOM 1046 CB ALA A 69 8.360 -3.557 -5.090 1.00 0.43 C ATOM 0 H ALA A 69 10.407 -4.975 -4.810 1.00 0.40 H new ATOM 0 HA ALA A 69 8.264 -4.895 -6.776 1.00 0.44 H new ATOM 0 HB1 ALA A 69 7.557 -2.917 -5.456 1.00 0.43 H new ATOM 0 HB2 ALA A 69 7.952 -4.288 -4.392 1.00 0.43 H new ATOM 0 HB3 ALA A 69 9.107 -2.947 -4.582 1.00 0.43 H new ATOM 1052 N GLU A 70 10.877 -3.196 -7.374 1.00 0.42 N ATOM 1053 CA GLU A 70 11.495 -2.222 -8.319 1.00 0.47 C ATOM 1054 C GLU A 70 10.965 -0.814 -8.033 1.00 0.41 C ATOM 1055 O GLU A 70 10.652 -0.064 -8.935 1.00 0.46 O ATOM 1056 CB GLU A 70 11.144 -2.613 -9.756 1.00 0.62 C ATOM 1057 CG GLU A 70 11.543 -4.070 -10.000 1.00 1.24 C ATOM 1058 CD GLU A 70 11.236 -4.447 -11.451 1.00 1.60 C ATOM 1059 OE1 GLU A 70 11.215 -3.554 -12.282 1.00 2.17 O ATOM 1060 OE2 GLU A 70 11.028 -5.621 -11.705 1.00 2.15 O ATOM 0 H GLU A 70 11.537 -3.778 -6.859 1.00 0.42 H new ATOM 0 HA GLU A 70 12.577 -2.234 -8.189 1.00 0.47 H new ATOM 0 HB2 GLU A 70 10.076 -2.484 -9.929 1.00 0.62 H new ATOM 0 HB3 GLU A 70 11.662 -1.960 -10.459 1.00 0.62 H new ATOM 0 HG2 GLU A 70 12.605 -4.207 -9.794 1.00 1.24 H new ATOM 0 HG3 GLU A 70 11.000 -4.726 -9.320 1.00 1.24 H new ATOM 1067 N VAL A 71 10.867 -0.447 -6.783 1.00 0.37 N ATOM 1068 CA VAL A 71 10.361 0.916 -6.441 1.00 0.36 C ATOM 1069 C VAL A 71 11.525 1.910 -6.480 1.00 0.34 C ATOM 1070 O VAL A 71 12.382 1.906 -5.618 1.00 0.48 O ATOM 1071 CB VAL A 71 9.748 0.894 -5.039 1.00 0.49 C ATOM 1072 CG1 VAL A 71 9.396 2.320 -4.607 1.00 0.52 C ATOM 1073 CG2 VAL A 71 8.478 0.040 -5.052 1.00 0.65 C ATOM 0 H VAL A 71 11.115 -1.031 -5.984 1.00 0.37 H new ATOM 0 HA VAL A 71 9.601 1.218 -7.161 1.00 0.36 H new ATOM 0 HB VAL A 71 10.467 0.471 -4.338 1.00 0.49 H new ATOM 0 HG11 VAL A 71 8.960 2.300 -3.608 1.00 0.52 H new ATOM 0 HG12 VAL A 71 10.299 2.930 -4.597 1.00 0.52 H new ATOM 0 HG13 VAL A 71 8.678 2.746 -5.308 1.00 0.52 H new ATOM 0 HG21 VAL A 71 8.040 0.024 -4.054 1.00 0.65 H new ATOM 0 HG22 VAL A 71 7.761 0.464 -5.755 1.00 0.65 H new ATOM 0 HG23 VAL A 71 8.726 -0.977 -5.356 1.00 0.65 H new ATOM 1083 N LYS A 72 11.556 2.762 -7.476 1.00 0.33 N ATOM 1084 CA LYS A 72 12.659 3.771 -7.594 1.00 0.44 C ATOM 1085 C LYS A 72 12.062 5.179 -7.560 1.00 0.39 C ATOM 1086 O LYS A 72 12.717 6.149 -7.890 1.00 0.42 O ATOM 1087 CB LYS A 72 13.392 3.564 -8.922 1.00 0.61 C ATOM 1088 CG LYS A 72 14.129 2.222 -8.896 1.00 0.70 C ATOM 1089 CD LYS A 72 14.537 1.833 -10.319 1.00 1.34 C ATOM 1090 CE LYS A 72 15.544 2.850 -10.862 1.00 1.77 C ATOM 1091 NZ LYS A 72 16.221 2.285 -12.063 1.00 2.43 N ATOM 0 H LYS A 72 10.859 2.803 -8.219 1.00 0.33 H new ATOM 0 HA LYS A 72 13.358 3.650 -6.766 1.00 0.44 H new ATOM 0 HB2 LYS A 72 12.682 3.585 -9.749 1.00 0.61 H new ATOM 0 HB3 LYS A 72 14.099 4.376 -9.089 1.00 0.61 H new ATOM 0 HG2 LYS A 72 15.012 2.293 -8.260 1.00 0.70 H new ATOM 0 HG3 LYS A 72 13.488 1.452 -8.467 1.00 0.70 H new ATOM 0 HD2 LYS A 72 14.975 0.835 -10.322 1.00 1.34 H new ATOM 0 HD3 LYS A 72 13.658 1.797 -10.963 1.00 1.34 H new ATOM 0 HE2 LYS A 72 15.036 3.779 -11.121 1.00 1.77 H new ATOM 0 HE3 LYS A 72 16.281 3.093 -10.096 1.00 1.77 H new ATOM 0 HZ1 LYS A 72 16.905 2.975 -12.433 1.00 2.43 H new ATOM 0 HZ2 LYS A 72 16.719 1.410 -11.802 1.00 2.43 H new ATOM 0 HZ3 LYS A 72 15.512 2.075 -12.794 1.00 2.43 H new ATOM 1105 N ALA A 73 10.823 5.301 -7.164 1.00 0.33 N ATOM 1106 CA ALA A 73 10.181 6.647 -7.108 1.00 0.30 C ATOM 1107 C ALA A 73 9.097 6.648 -6.028 1.00 0.25 C ATOM 1108 O ALA A 73 7.963 6.293 -6.274 1.00 0.22 O ATOM 1109 CB ALA A 73 9.549 6.966 -8.465 1.00 0.34 C ATOM 0 H ALA A 73 10.227 4.525 -6.876 1.00 0.33 H new ATOM 0 HA ALA A 73 10.932 7.400 -6.871 1.00 0.30 H new ATOM 0 HB1 ALA A 73 9.080 7.949 -8.426 1.00 0.34 H new ATOM 0 HB2 ALA A 73 10.320 6.963 -9.235 1.00 0.34 H new ATOM 0 HB3 ALA A 73 8.797 6.214 -8.702 1.00 0.34 H new ATOM 1115 N THR A 74 9.438 7.048 -4.831 1.00 0.25 N ATOM 1116 CA THR A 74 8.434 7.077 -3.724 1.00 0.22 C ATOM 1117 C THR A 74 7.838 8.494 -3.635 1.00 0.21 C ATOM 1118 O THR A 74 8.497 9.443 -4.012 1.00 0.24 O ATOM 1119 CB THR A 74 9.151 6.739 -2.407 1.00 0.26 C ATOM 1120 OG1 THR A 74 10.423 7.372 -2.393 1.00 0.31 O ATOM 1121 CG2 THR A 74 9.336 5.224 -2.289 1.00 0.26 C ATOM 0 H THR A 74 10.374 7.358 -4.570 1.00 0.25 H new ATOM 0 HA THR A 74 7.638 6.355 -3.908 1.00 0.22 H new ATOM 0 HB THR A 74 8.552 7.092 -1.568 1.00 0.26 H new ATOM 0 HG1 THR A 74 10.884 7.161 -1.554 1.00 0.31 H new ATOM 0 HG21 THR A 74 9.845 4.991 -1.353 1.00 0.26 H new ATOM 0 HG22 THR A 74 8.361 4.736 -2.303 1.00 0.26 H new ATOM 0 HG23 THR A 74 9.934 4.864 -3.126 1.00 0.26 H new ATOM 1129 N PRO A 75 6.623 8.627 -3.128 1.00 0.19 N ATOM 1130 CA PRO A 75 5.774 7.504 -2.653 1.00 0.17 C ATOM 1131 C PRO A 75 5.153 6.759 -3.849 1.00 0.14 C ATOM 1132 O PRO A 75 4.951 7.322 -4.907 1.00 0.15 O ATOM 1133 CB PRO A 75 4.670 8.192 -1.814 1.00 0.19 C ATOM 1134 CG PRO A 75 4.765 9.722 -2.089 1.00 0.22 C ATOM 1135 CD PRO A 75 6.014 9.959 -2.964 1.00 0.21 C ATOM 0 HA PRO A 75 6.336 6.765 -2.081 1.00 0.17 H new ATOM 0 HB2 PRO A 75 3.686 7.813 -2.089 1.00 0.19 H new ATOM 0 HB3 PRO A 75 4.807 7.983 -0.753 1.00 0.19 H new ATOM 0 HG2 PRO A 75 3.868 10.077 -2.597 1.00 0.22 H new ATOM 0 HG3 PRO A 75 4.842 10.276 -1.153 1.00 0.22 H new ATOM 0 HD2 PRO A 75 5.745 10.391 -3.928 1.00 0.21 H new ATOM 0 HD3 PRO A 75 6.705 10.653 -2.486 1.00 0.21 H new ATOM 1143 N THR A 76 4.843 5.495 -3.678 1.00 0.13 N ATOM 1144 CA THR A 76 4.227 4.704 -4.791 1.00 0.13 C ATOM 1145 C THR A 76 3.107 3.824 -4.232 1.00 0.14 C ATOM 1146 O THR A 76 3.314 3.042 -3.325 1.00 0.23 O ATOM 1147 CB THR A 76 5.288 3.818 -5.446 1.00 0.15 C ATOM 1148 OG1 THR A 76 6.462 4.580 -5.680 1.00 0.21 O ATOM 1149 CG2 THR A 76 4.756 3.275 -6.774 1.00 0.19 C ATOM 0 H THR A 76 4.991 4.976 -2.812 1.00 0.13 H new ATOM 0 HA THR A 76 3.819 5.389 -5.535 1.00 0.13 H new ATOM 0 HB THR A 76 5.522 2.984 -4.784 1.00 0.15 H new ATOM 0 HG1 THR A 76 6.217 5.450 -6.060 1.00 0.21 H new ATOM 0 HG21 THR A 76 5.514 2.644 -7.239 1.00 0.19 H new ATOM 0 HG22 THR A 76 3.856 2.687 -6.592 1.00 0.19 H new ATOM 0 HG23 THR A 76 4.519 4.106 -7.438 1.00 0.19 H new ATOM 1157 N PHE A 77 1.918 3.945 -4.773 1.00 0.12 N ATOM 1158 CA PHE A 77 0.766 3.121 -4.287 1.00 0.13 C ATOM 1159 C PHE A 77 0.429 2.056 -5.332 1.00 0.13 C ATOM 1160 O PHE A 77 0.176 2.361 -6.481 1.00 0.21 O ATOM 1161 CB PHE A 77 -0.449 4.026 -4.077 1.00 0.14 C ATOM 1162 CG PHE A 77 -0.130 5.053 -3.018 1.00 0.13 C ATOM 1163 CD1 PHE A 77 0.456 6.280 -3.384 1.00 0.15 C ATOM 1164 CD2 PHE A 77 -0.415 4.783 -1.666 1.00 0.16 C ATOM 1165 CE1 PHE A 77 0.758 7.238 -2.395 1.00 0.17 C ATOM 1166 CE2 PHE A 77 -0.113 5.740 -0.679 1.00 0.17 C ATOM 1167 CZ PHE A 77 0.473 6.968 -1.043 1.00 0.17 C ATOM 0 H PHE A 77 1.695 4.584 -5.536 1.00 0.12 H new ATOM 0 HA PHE A 77 1.031 2.639 -3.346 1.00 0.13 H new ATOM 0 HB2 PHE A 77 -0.714 4.521 -5.011 1.00 0.14 H new ATOM 0 HB3 PHE A 77 -1.312 3.432 -3.775 1.00 0.14 H new ATOM 0 HD1 PHE A 77 0.674 6.487 -4.421 1.00 0.15 H new ATOM 0 HD2 PHE A 77 -0.865 3.842 -1.386 1.00 0.16 H new ATOM 0 HE1 PHE A 77 1.208 8.179 -2.674 1.00 0.17 H new ATOM 0 HE2 PHE A 77 -0.331 5.533 0.358 1.00 0.17 H new ATOM 0 HZ PHE A 77 0.704 7.702 -0.285 1.00 0.17 H new ATOM 1177 N GLN A 78 0.423 0.804 -4.938 1.00 0.12 N ATOM 1178 CA GLN A 78 0.104 -0.304 -5.896 1.00 0.13 C ATOM 1179 C GLN A 78 -1.210 -0.969 -5.481 1.00 0.13 C ATOM 1180 O GLN A 78 -1.516 -1.082 -4.310 1.00 0.19 O ATOM 1181 CB GLN A 78 1.229 -1.340 -5.860 1.00 0.15 C ATOM 1182 CG GLN A 78 2.530 -0.697 -6.342 1.00 0.21 C ATOM 1183 CD GLN A 78 3.591 -1.780 -6.547 1.00 0.23 C ATOM 1184 OE1 GLN A 78 3.289 -2.865 -7.004 1.00 1.06 O ATOM 1185 NE2 GLN A 78 4.831 -1.530 -6.227 1.00 1.17 N ATOM 0 H GLN A 78 0.627 0.500 -3.986 1.00 0.12 H new ATOM 0 HA GLN A 78 0.007 0.098 -6.904 1.00 0.13 H new ATOM 0 HB2 GLN A 78 1.353 -1.722 -4.847 1.00 0.15 H new ATOM 0 HB3 GLN A 78 0.975 -2.190 -6.493 1.00 0.15 H new ATOM 0 HG2 GLN A 78 2.359 -0.160 -7.275 1.00 0.21 H new ATOM 0 HG3 GLN A 78 2.878 0.034 -5.613 1.00 0.21 H new ATOM 0 HE21 GLN A 78 5.085 -0.620 -5.843 1.00 1.17 H new ATOM 0 HE22 GLN A 78 5.546 -2.245 -6.360 1.00 1.17 H new ATOM 1194 N PHE A 79 -1.992 -1.403 -6.438 1.00 0.12 N ATOM 1195 CA PHE A 79 -3.301 -2.061 -6.126 1.00 0.13 C ATOM 1196 C PHE A 79 -3.217 -3.551 -6.464 1.00 0.13 C ATOM 1197 O PHE A 79 -3.197 -3.934 -7.616 1.00 0.21 O ATOM 1198 CB PHE A 79 -4.398 -1.406 -6.968 1.00 0.14 C ATOM 1199 CG PHE A 79 -4.678 -0.020 -6.432 1.00 0.15 C ATOM 1200 CD1 PHE A 79 -3.707 0.990 -6.560 1.00 0.15 C ATOM 1201 CD2 PHE A 79 -5.904 0.259 -5.795 1.00 0.16 C ATOM 1202 CE1 PHE A 79 -3.959 2.279 -6.055 1.00 0.17 C ATOM 1203 CE2 PHE A 79 -6.155 1.549 -5.288 1.00 0.18 C ATOM 1204 CZ PHE A 79 -5.183 2.559 -5.418 1.00 0.18 C ATOM 0 H PHE A 79 -1.778 -1.329 -7.433 1.00 0.12 H new ATOM 0 HA PHE A 79 -3.530 -1.946 -5.067 1.00 0.13 H new ATOM 0 HB2 PHE A 79 -4.087 -1.349 -8.011 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -5.305 -2.010 -6.938 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -2.767 0.776 -7.047 1.00 0.15 H new ATOM 0 HD2 PHE A 79 -6.650 -0.515 -5.696 1.00 0.16 H new ATOM 0 HE1 PHE A 79 -3.213 3.054 -6.156 1.00 0.17 H new ATOM 0 HE2 PHE A 79 -7.094 1.763 -4.799 1.00 0.18 H new ATOM 0 HZ PHE A 79 -5.376 3.548 -5.029 1.00 0.18 H new ATOM 1214 N PHE A 80 -3.168 -4.394 -5.461 1.00 0.14 N ATOM 1215 CA PHE A 80 -3.086 -5.869 -5.703 1.00 0.15 C ATOM 1216 C PHE A 80 -4.430 -6.514 -5.357 1.00 0.15 C ATOM 1217 O PHE A 80 -5.215 -5.976 -4.601 1.00 0.18 O ATOM 1218 CB PHE A 80 -1.994 -6.471 -4.806 1.00 0.16 C ATOM 1219 CG PHE A 80 -0.629 -6.203 -5.400 1.00 0.16 C ATOM 1220 CD1 PHE A 80 -0.075 -7.110 -6.326 1.00 0.22 C ATOM 1221 CD2 PHE A 80 0.091 -5.055 -5.024 1.00 0.15 C ATOM 1222 CE1 PHE A 80 1.199 -6.866 -6.874 1.00 0.25 C ATOM 1223 CE2 PHE A 80 1.364 -4.810 -5.573 1.00 0.17 C ATOM 1224 CZ PHE A 80 1.918 -5.715 -6.497 1.00 0.21 C ATOM 0 H PHE A 80 -3.181 -4.121 -4.478 1.00 0.14 H new ATOM 0 HA PHE A 80 -2.847 -6.054 -6.750 1.00 0.15 H new ATOM 0 HB2 PHE A 80 -2.055 -6.041 -3.806 1.00 0.16 H new ATOM 0 HB3 PHE A 80 -2.149 -7.545 -4.701 1.00 0.16 H new ATOM 0 HD1 PHE A 80 -0.627 -7.992 -6.615 1.00 0.22 H new ATOM 0 HD2 PHE A 80 -0.333 -4.361 -4.314 1.00 0.15 H new ATOM 0 HE1 PHE A 80 1.624 -7.561 -7.583 1.00 0.25 H new ATOM 0 HE2 PHE A 80 1.915 -3.927 -5.285 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.895 -5.527 -6.917 1.00 0.21 H new ATOM 1234 N LYS A 81 -4.697 -7.669 -5.905 1.00 0.14 N ATOM 1235 CA LYS A 81 -5.984 -8.363 -5.612 1.00 0.15 C ATOM 1236 C LYS A 81 -5.788 -9.869 -5.809 1.00 0.15 C ATOM 1237 O LYS A 81 -5.235 -10.306 -6.798 1.00 0.18 O ATOM 1238 CB LYS A 81 -7.072 -7.849 -6.566 1.00 0.20 C ATOM 1239 CG LYS A 81 -8.458 -8.153 -5.986 1.00 0.28 C ATOM 1240 CD LYS A 81 -9.538 -7.545 -6.888 1.00 0.78 C ATOM 1241 CE LYS A 81 -10.868 -7.482 -6.131 1.00 0.85 C ATOM 1242 NZ LYS A 81 -11.982 -7.292 -7.102 1.00 1.72 N ATOM 0 H LYS A 81 -4.076 -8.164 -6.546 1.00 0.14 H new ATOM 0 HA LYS A 81 -6.291 -8.164 -4.585 1.00 0.15 H new ATOM 0 HB2 LYS A 81 -6.958 -6.775 -6.717 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -6.965 -8.321 -7.543 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -8.601 -9.231 -5.906 1.00 0.28 H new ATOM 0 HG3 LYS A 81 -8.539 -7.745 -4.979 1.00 0.28 H new ATOM 0 HD2 LYS A 81 -9.241 -6.545 -7.204 1.00 0.78 H new ATOM 0 HD3 LYS A 81 -9.651 -8.144 -7.791 1.00 0.78 H new ATOM 0 HE2 LYS A 81 -11.019 -8.400 -5.562 1.00 0.85 H new ATOM 0 HE3 LYS A 81 -10.852 -6.661 -5.414 1.00 0.85 H new ATOM 0 HZ1 LYS A 81 -12.886 -7.249 -6.589 1.00 1.72 H new ATOM 0 HZ2 LYS A 81 -11.839 -6.405 -7.626 1.00 1.72 H new ATOM 0 HZ3 LYS A 81 -12.000 -8.089 -7.770 1.00 1.72 H new ATOM 1256 N LYS A 82 -6.225 -10.664 -4.870 1.00 0.17 N ATOM 1257 CA LYS A 82 -6.051 -12.138 -5.003 1.00 0.20 C ATOM 1258 C LYS A 82 -4.581 -12.448 -5.299 1.00 0.22 C ATOM 1259 O LYS A 82 -4.231 -13.550 -5.671 1.00 0.28 O ATOM 1260 CB LYS A 82 -6.928 -12.661 -6.145 1.00 0.23 C ATOM 1261 CG LYS A 82 -8.404 -12.480 -5.780 1.00 0.33 C ATOM 1262 CD LYS A 82 -9.268 -12.633 -7.035 1.00 0.43 C ATOM 1263 CE LYS A 82 -9.086 -14.035 -7.626 1.00 1.28 C ATOM 1264 NZ LYS A 82 -7.823 -14.082 -8.416 1.00 1.95 N ATOM 0 H LYS A 82 -6.694 -10.357 -4.018 1.00 0.17 H new ATOM 0 HA LYS A 82 -6.347 -12.625 -4.074 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -6.702 -12.124 -7.066 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.714 -13.714 -6.329 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -8.697 -13.218 -5.033 1.00 0.33 H new ATOM 0 HG3 LYS A 82 -8.561 -11.497 -5.336 1.00 0.33 H new ATOM 0 HD2 LYS A 82 -10.316 -12.466 -6.788 1.00 0.43 H new ATOM 0 HD3 LYS A 82 -8.991 -11.879 -7.772 1.00 0.43 H new ATOM 0 HE2 LYS A 82 -9.056 -14.777 -6.828 1.00 1.28 H new ATOM 0 HE3 LYS A 82 -9.935 -14.286 -8.262 1.00 1.28 H new ATOM 0 HZ1 LYS A 82 -7.985 -14.608 -9.298 1.00 1.95 H new ATOM 0 HZ2 LYS A 82 -7.518 -13.114 -8.641 1.00 1.95 H new ATOM 0 HZ3 LYS A 82 -7.083 -14.557 -7.860 1.00 1.95 H new ATOM 1278 N GLY A 83 -3.717 -11.480 -5.133 1.00 0.21 N ATOM 1279 CA GLY A 83 -2.264 -11.709 -5.400 1.00 0.24 C ATOM 1280 C GLY A 83 -1.944 -11.364 -6.855 1.00 0.25 C ATOM 1281 O GLY A 83 -1.023 -11.902 -7.439 1.00 0.29 O ATOM 0 H GLY A 83 -3.955 -10.538 -4.823 1.00 0.21 H new ATOM 0 HA2 GLY A 83 -1.661 -11.096 -4.730 1.00 0.24 H new ATOM 0 HA3 GLY A 83 -2.007 -12.749 -5.198 1.00 0.24 H new ATOM 1285 N GLN A 84 -2.700 -10.471 -7.447 1.00 0.23 N ATOM 1286 CA GLN A 84 -2.451 -10.080 -8.873 1.00 0.26 C ATOM 1287 C GLN A 84 -2.465 -8.555 -8.996 1.00 0.23 C ATOM 1288 O GLN A 84 -3.425 -7.902 -8.639 1.00 0.21 O ATOM 1289 CB GLN A 84 -3.556 -10.667 -9.756 1.00 0.29 C ATOM 1290 CG GLN A 84 -3.313 -12.167 -9.952 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.584 -12.827 -10.490 1.00 0.83 C ATOM 1292 OE1 GLN A 84 -5.051 -13.806 -9.944 1.00 1.37 O ATOM 1293 NE2 GLN A 84 -5.167 -12.329 -11.546 1.00 1.17 N ATOM 0 H GLN A 84 -3.484 -9.993 -7.002 1.00 0.23 H new ATOM 0 HA GLN A 84 -1.481 -10.462 -9.191 1.00 0.26 H new ATOM 0 HB2 GLN A 84 -4.530 -10.503 -9.295 1.00 0.29 H new ATOM 0 HB3 GLN A 84 -3.571 -10.161 -10.721 1.00 0.29 H new ATOM 0 HG2 GLN A 84 -2.488 -12.324 -10.646 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -3.025 -12.626 -9.006 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -4.775 -11.507 -12.005 1.00 1.17 H new ATOM 0 HE22 GLN A 84 -6.015 -12.762 -11.912 1.00 1.17 H new ATOM 1302 N LYS A 85 -1.410 -7.980 -9.509 1.00 0.26 N ATOM 1303 CA LYS A 85 -1.375 -6.498 -9.665 1.00 0.25 C ATOM 1304 C LYS A 85 -2.421 -6.089 -10.703 1.00 0.25 C ATOM 1305 O LYS A 85 -2.277 -6.364 -11.878 1.00 0.35 O ATOM 1306 CB LYS A 85 0.015 -6.064 -10.138 1.00 0.30 C ATOM 1307 CG LYS A 85 0.066 -4.537 -10.238 1.00 0.34 C ATOM 1308 CD LYS A 85 1.522 -4.078 -10.334 1.00 0.34 C ATOM 1309 CE LYS A 85 2.206 -4.785 -11.506 1.00 0.72 C ATOM 1310 NZ LYS A 85 1.285 -4.811 -12.676 1.00 1.64 N ATOM 0 H LYS A 85 -0.574 -8.471 -9.826 1.00 0.26 H new ATOM 0 HA LYS A 85 -1.592 -6.019 -8.710 1.00 0.25 H new ATOM 0 HB2 LYS A 85 0.775 -6.419 -9.442 1.00 0.30 H new ATOM 0 HB3 LYS A 85 0.237 -6.510 -11.107 1.00 0.30 H new ATOM 0 HG2 LYS A 85 -0.490 -4.201 -11.113 1.00 0.34 H new ATOM 0 HG3 LYS A 85 -0.410 -4.089 -9.366 1.00 0.34 H new ATOM 0 HD2 LYS A 85 1.565 -2.998 -10.472 1.00 0.34 H new ATOM 0 HD3 LYS A 85 2.046 -4.301 -9.405 1.00 0.34 H new ATOM 0 HE2 LYS A 85 3.129 -4.268 -11.768 1.00 0.72 H new ATOM 0 HE3 LYS A 85 2.479 -5.801 -11.222 1.00 0.72 H new ATOM 0 HZ1 LYS A 85 1.840 -4.799 -13.555 1.00 1.64 H new ATOM 0 HZ2 LYS A 85 0.707 -5.675 -12.643 1.00 1.64 H new ATOM 0 HZ3 LYS A 85 0.664 -3.977 -12.647 1.00 1.64 H new ATOM 1324 N VAL A 86 -3.480 -5.446 -10.274 1.00 0.20 N ATOM 1325 CA VAL A 86 -4.559 -5.025 -11.224 1.00 0.22 C ATOM 1326 C VAL A 86 -4.618 -3.496 -11.307 1.00 0.26 C ATOM 1327 O VAL A 86 -5.634 -2.927 -11.655 1.00 0.59 O ATOM 1328 CB VAL A 86 -5.903 -5.555 -10.717 1.00 0.29 C ATOM 1329 CG1 VAL A 86 -5.995 -7.059 -10.984 1.00 0.40 C ATOM 1330 CG2 VAL A 86 -6.012 -5.301 -9.211 1.00 0.35 C ATOM 0 H VAL A 86 -3.645 -5.193 -9.300 1.00 0.20 H new ATOM 0 HA VAL A 86 -4.346 -5.428 -12.214 1.00 0.22 H new ATOM 0 HB VAL A 86 -6.714 -5.044 -11.236 1.00 0.29 H new ATOM 0 HG11 VAL A 86 -6.952 -7.435 -10.623 1.00 0.40 H new ATOM 0 HG12 VAL A 86 -5.914 -7.244 -12.055 1.00 0.40 H new ATOM 0 HG13 VAL A 86 -5.185 -7.571 -10.465 1.00 0.40 H new ATOM 0 HG21 VAL A 86 -6.968 -5.677 -8.847 1.00 0.35 H new ATOM 0 HG22 VAL A 86 -5.200 -5.814 -8.696 1.00 0.35 H new ATOM 0 HG23 VAL A 86 -5.946 -4.230 -9.017 1.00 0.35 H new ATOM 1340 N GLY A 87 -3.542 -2.822 -10.996 1.00 0.26 N ATOM 1341 CA GLY A 87 -3.557 -1.330 -11.070 1.00 0.25 C ATOM 1342 C GLY A 87 -2.445 -0.750 -10.194 1.00 0.17 C ATOM 1343 O GLY A 87 -2.052 -1.331 -9.203 1.00 0.16 O ATOM 0 H GLY A 87 -2.659 -3.236 -10.696 1.00 0.26 H new ATOM 0 HA2 GLY A 87 -3.423 -1.008 -12.103 1.00 0.25 H new ATOM 0 HA3 GLY A 87 -4.525 -0.951 -10.741 1.00 0.25 H new ATOM 1347 N GLU A 88 -1.938 0.398 -10.555 1.00 0.18 N ATOM 1348 CA GLU A 88 -0.855 1.027 -9.746 1.00 0.17 C ATOM 1349 C GLU A 88 -0.605 2.450 -10.251 1.00 0.17 C ATOM 1350 O GLU A 88 -0.895 2.775 -11.385 1.00 0.19 O ATOM 1351 CB GLU A 88 0.431 0.198 -9.873 1.00 0.27 C ATOM 1352 CG GLU A 88 0.997 0.310 -11.300 1.00 0.92 C ATOM 1353 CD GLU A 88 1.852 1.575 -11.428 1.00 1.74 C ATOM 1354 OE1 GLU A 88 2.854 1.663 -10.738 1.00 2.40 O ATOM 1355 OE2 GLU A 88 1.490 2.434 -12.216 1.00 2.43 O ATOM 0 H GLU A 88 -2.228 0.928 -11.377 1.00 0.18 H new ATOM 0 HA GLU A 88 -1.156 1.062 -8.699 1.00 0.17 H new ATOM 0 HB2 GLU A 88 1.170 0.548 -9.152 1.00 0.27 H new ATOM 0 HB3 GLU A 88 0.224 -0.846 -9.637 1.00 0.27 H new ATOM 0 HG2 GLU A 88 1.598 -0.570 -11.532 1.00 0.92 H new ATOM 0 HG3 GLU A 88 0.181 0.338 -12.022 1.00 0.92 H new ATOM 1362 N PHE A 89 -0.062 3.298 -9.422 1.00 0.15 N ATOM 1363 CA PHE A 89 0.214 4.695 -9.861 1.00 0.16 C ATOM 1364 C PHE A 89 1.114 5.388 -8.831 1.00 0.16 C ATOM 1365 O PHE A 89 0.933 5.242 -7.638 1.00 0.18 O ATOM 1366 CB PHE A 89 -1.112 5.462 -10.035 1.00 0.16 C ATOM 1367 CG PHE A 89 -1.649 5.940 -8.700 1.00 0.15 C ATOM 1368 CD1 PHE A 89 -1.082 7.070 -8.078 1.00 0.17 C ATOM 1369 CD2 PHE A 89 -2.724 5.267 -8.088 1.00 0.15 C ATOM 1370 CE1 PHE A 89 -1.588 7.525 -6.844 1.00 0.18 C ATOM 1371 CE2 PHE A 89 -3.229 5.722 -6.853 1.00 0.16 C ATOM 1372 CZ PHE A 89 -2.661 6.850 -6.233 1.00 0.18 C ATOM 0 H PHE A 89 0.202 3.084 -8.460 1.00 0.15 H new ATOM 0 HA PHE A 89 0.730 4.682 -10.821 1.00 0.16 H new ATOM 0 HB2 PHE A 89 -0.957 6.316 -10.694 1.00 0.16 H new ATOM 0 HB3 PHE A 89 -1.848 4.817 -10.516 1.00 0.16 H new ATOM 0 HD1 PHE A 89 -0.259 7.588 -8.547 1.00 0.17 H new ATOM 0 HD2 PHE A 89 -3.162 4.402 -8.565 1.00 0.15 H new ATOM 0 HE1 PHE A 89 -1.153 8.391 -6.368 1.00 0.18 H new ATOM 0 HE2 PHE A 89 -4.052 5.205 -6.383 1.00 0.16 H new ATOM 0 HZ PHE A 89 -3.049 7.198 -5.287 1.00 0.18 H new ATOM 1382 N SER A 90 2.084 6.140 -9.290 1.00 0.16 N ATOM 1383 CA SER A 90 3.013 6.849 -8.355 1.00 0.18 C ATOM 1384 C SER A 90 2.696 8.345 -8.354 1.00 0.18 C ATOM 1385 O SER A 90 2.542 8.957 -9.391 1.00 0.21 O ATOM 1386 CB SER A 90 4.454 6.644 -8.826 1.00 0.22 C ATOM 1387 OG SER A 90 4.733 7.547 -9.888 1.00 0.35 O ATOM 0 H SER A 90 2.274 6.294 -10.280 1.00 0.16 H new ATOM 0 HA SER A 90 2.890 6.449 -7.349 1.00 0.18 H new ATOM 0 HB2 SER A 90 5.146 6.810 -8.000 1.00 0.22 H new ATOM 0 HB3 SER A 90 4.597 5.616 -9.160 1.00 0.22 H new ATOM 0 HG SER A 90 3.900 7.965 -10.189 1.00 0.35 H new ATOM 1393 N GLY A 91 2.602 8.941 -7.195 1.00 0.19 N ATOM 1394 CA GLY A 91 2.301 10.399 -7.130 1.00 0.20 C ATOM 1395 C GLY A 91 1.696 10.743 -5.769 1.00 0.19 C ATOM 1396 O GLY A 91 0.897 10.005 -5.227 1.00 0.19 O ATOM 0 H GLY A 91 2.721 8.481 -6.292 1.00 0.19 H new ATOM 0 HA2 GLY A 91 3.212 10.975 -7.289 1.00 0.20 H new ATOM 0 HA3 GLY A 91 1.608 10.672 -7.926 1.00 0.20 H new ATOM 1400 N ALA A 92 2.070 11.864 -5.216 1.00 0.21 N ATOM 1401 CA ALA A 92 1.521 12.266 -3.890 1.00 0.24 C ATOM 1402 C ALA A 92 0.132 12.882 -4.078 1.00 0.23 C ATOM 1403 O ALA A 92 -0.061 14.065 -3.874 1.00 0.31 O ATOM 1404 CB ALA A 92 2.455 13.293 -3.245 1.00 0.28 C ATOM 0 H ALA A 92 2.734 12.521 -5.626 1.00 0.21 H new ATOM 0 HA ALA A 92 1.443 11.390 -3.246 1.00 0.24 H new ATOM 0 HB1 ALA A 92 2.056 13.589 -2.275 1.00 0.28 H new ATOM 0 HB2 ALA A 92 3.443 12.853 -3.112 1.00 0.28 H new ATOM 0 HB3 ALA A 92 2.532 14.170 -3.888 1.00 0.28 H new ATOM 1410 N ASN A 93 -0.837 12.084 -4.461 1.00 0.22 N ATOM 1411 CA ASN A 93 -2.229 12.606 -4.663 1.00 0.23 C ATOM 1412 C ASN A 93 -3.198 11.792 -3.804 1.00 0.23 C ATOM 1413 O ASN A 93 -3.751 10.803 -4.243 1.00 0.21 O ATOM 1414 CB ASN A 93 -2.617 12.464 -6.141 1.00 0.25 C ATOM 1415 CG ASN A 93 -3.817 13.367 -6.443 1.00 0.29 C ATOM 1416 OD1 ASN A 93 -4.948 12.923 -6.426 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.616 14.627 -6.715 1.00 0.91 N ATOM 0 H ASN A 93 -0.723 11.087 -4.644 1.00 0.22 H new ATOM 0 HA ASN A 93 -2.274 13.656 -4.375 1.00 0.23 H new ATOM 0 HB2 ASN A 93 -1.775 12.736 -6.777 1.00 0.25 H new ATOM 0 HB3 ASN A 93 -2.864 11.426 -6.365 1.00 0.25 H new ATOM 0 HD21 ASN A 93 -4.408 15.239 -6.913 1.00 0.91 H new ATOM 0 HD22 ASN A 93 -2.667 15.001 -6.729 1.00 0.91 H new ATOM 1424 N LYS A 94 -3.408 12.199 -2.584 1.00 0.29 N ATOM 1425 CA LYS A 94 -4.341 11.447 -1.700 1.00 0.32 C ATOM 1426 C LYS A 94 -5.743 11.437 -2.318 1.00 0.30 C ATOM 1427 O LYS A 94 -6.512 10.518 -2.116 1.00 0.28 O ATOM 1428 CB LYS A 94 -4.381 12.099 -0.305 1.00 0.42 C ATOM 1429 CG LYS A 94 -4.341 13.646 -0.421 1.00 0.53 C ATOM 1430 CD LYS A 94 -2.929 14.173 -0.112 1.00 0.91 C ATOM 1431 CE LYS A 94 -2.943 15.702 -0.100 1.00 0.70 C ATOM 1432 NZ LYS A 94 -1.548 16.213 -0.221 1.00 1.12 N ATOM 0 H LYS A 94 -2.974 13.019 -2.161 1.00 0.29 H new ATOM 0 HA LYS A 94 -3.991 10.420 -1.598 1.00 0.32 H new ATOM 0 HB2 LYS A 94 -5.286 11.792 0.220 1.00 0.42 H new ATOM 0 HB3 LYS A 94 -3.535 11.752 0.288 1.00 0.42 H new ATOM 0 HG2 LYS A 94 -4.637 13.949 -1.425 1.00 0.53 H new ATOM 0 HG3 LYS A 94 -5.060 14.087 0.270 1.00 0.53 H new ATOM 0 HD2 LYS A 94 -2.592 13.795 0.853 1.00 0.91 H new ATOM 0 HD3 LYS A 94 -2.223 13.812 -0.860 1.00 0.91 H new ATOM 0 HE2 LYS A 94 -3.552 16.077 -0.923 1.00 0.70 H new ATOM 0 HE3 LYS A 94 -3.396 16.065 0.823 1.00 0.70 H new ATOM 0 HZ1 LYS A 94 -1.557 17.253 -0.213 1.00 1.12 H new ATOM 0 HZ2 LYS A 94 -0.980 15.866 0.578 1.00 1.12 H new ATOM 0 HZ3 LYS A 94 -1.132 15.878 -1.113 1.00 1.12 H new ATOM 1446 N GLU A 95 -6.084 12.447 -3.069 1.00 0.32 N ATOM 1447 CA GLU A 95 -7.437 12.483 -3.694 1.00 0.35 C ATOM 1448 C GLU A 95 -7.535 11.390 -4.761 1.00 0.29 C ATOM 1449 O GLU A 95 -8.600 10.884 -5.049 1.00 0.31 O ATOM 1450 CB GLU A 95 -7.668 13.854 -4.341 1.00 0.41 C ATOM 1451 CG GLU A 95 -7.999 14.887 -3.261 1.00 0.56 C ATOM 1452 CD GLU A 95 -6.796 15.060 -2.333 1.00 1.24 C ATOM 1453 OE1 GLU A 95 -5.815 15.639 -2.769 1.00 1.91 O ATOM 1454 OE2 GLU A 95 -6.875 14.610 -1.202 1.00 1.99 O ATOM 0 H GLU A 95 -5.487 13.247 -3.277 1.00 0.32 H new ATOM 0 HA GLU A 95 -8.195 12.313 -2.929 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -6.779 14.161 -4.891 1.00 0.41 H new ATOM 0 HB3 GLU A 95 -8.483 13.794 -5.062 1.00 0.41 H new ATOM 0 HG2 GLU A 95 -8.256 15.841 -3.722 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -8.869 14.565 -2.689 1.00 0.56 H new ATOM 1461 N LYS A 96 -6.430 11.026 -5.354 1.00 0.25 N ATOM 1462 CA LYS A 96 -6.462 9.970 -6.406 1.00 0.24 C ATOM 1463 C LYS A 96 -6.824 8.621 -5.777 1.00 0.21 C ATOM 1464 O LYS A 96 -7.594 7.858 -6.326 1.00 0.23 O ATOM 1465 CB LYS A 96 -5.090 9.874 -7.078 1.00 0.24 C ATOM 1466 CG LYS A 96 -5.138 8.832 -8.198 1.00 0.32 C ATOM 1467 CD LYS A 96 -3.926 9.006 -9.116 1.00 0.36 C ATOM 1468 CE LYS A 96 -3.964 7.946 -10.217 1.00 1.03 C ATOM 1469 NZ LYS A 96 -2.897 8.231 -11.218 1.00 1.91 N ATOM 0 H LYS A 96 -5.508 11.414 -5.156 1.00 0.25 H new ATOM 0 HA LYS A 96 -7.213 10.229 -7.152 1.00 0.24 H new ATOM 0 HB2 LYS A 96 -4.804 10.845 -7.483 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -4.333 9.599 -6.344 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -5.144 7.828 -7.774 1.00 0.32 H new ATOM 0 HG3 LYS A 96 -6.059 8.942 -8.771 1.00 0.32 H new ATOM 0 HD2 LYS A 96 -3.930 10.003 -9.556 1.00 0.36 H new ATOM 0 HD3 LYS A 96 -3.005 8.915 -8.541 1.00 0.36 H new ATOM 0 HE2 LYS A 96 -3.819 6.955 -9.787 1.00 1.03 H new ATOM 0 HE3 LYS A 96 -4.941 7.944 -10.701 1.00 1.03 H new ATOM 0 HZ1 LYS A 96 -2.911 7.501 -11.958 1.00 1.91 H new ATOM 0 HZ2 LYS A 96 -3.064 9.163 -11.648 1.00 1.91 H new ATOM 0 HZ3 LYS A 96 -1.970 8.228 -10.747 1.00 1.91 H new ATOM 1483 N LEU A 97 -6.274 8.317 -4.632 1.00 0.18 N ATOM 1484 CA LEU A 97 -6.592 7.013 -3.980 1.00 0.17 C ATOM 1485 C LEU A 97 -8.110 6.830 -3.918 1.00 0.17 C ATOM 1486 O LEU A 97 -8.612 5.725 -3.902 1.00 0.18 O ATOM 1487 CB LEU A 97 -6.031 6.993 -2.553 1.00 0.17 C ATOM 1488 CG LEU A 97 -4.494 6.997 -2.577 1.00 0.19 C ATOM 1489 CD1 LEU A 97 -3.970 7.350 -1.182 1.00 0.23 C ATOM 1490 CD2 LEU A 97 -3.957 5.611 -2.979 1.00 0.23 C ATOM 0 H LEU A 97 -5.621 8.912 -4.122 1.00 0.18 H new ATOM 0 HA LEU A 97 -6.143 6.207 -4.561 1.00 0.17 H new ATOM 0 HB2 LEU A 97 -6.394 7.860 -2.001 1.00 0.17 H new ATOM 0 HB3 LEU A 97 -6.390 6.108 -2.028 1.00 0.17 H new ATOM 0 HG LEU A 97 -4.156 7.733 -3.306 1.00 0.19 H new ATOM 0 HD11 LEU A 97 -2.880 7.354 -1.193 1.00 0.23 H new ATOM 0 HD12 LEU A 97 -4.334 8.337 -0.896 1.00 0.23 H new ATOM 0 HD13 LEU A 97 -4.323 6.611 -0.463 1.00 0.23 H new ATOM 0 HD21 LEU A 97 -2.867 5.632 -2.991 1.00 0.23 H new ATOM 0 HD22 LEU A 97 -4.298 4.866 -2.260 1.00 0.23 H new ATOM 0 HD23 LEU A 97 -4.326 5.352 -3.972 1.00 0.23 H new ATOM 1502 N GLU A 98 -8.847 7.906 -3.873 1.00 0.19 N ATOM 1503 CA GLU A 98 -10.331 7.791 -3.801 1.00 0.21 C ATOM 1504 C GLU A 98 -10.866 7.185 -5.103 1.00 0.20 C ATOM 1505 O GLU A 98 -11.375 6.082 -5.121 1.00 0.19 O ATOM 1506 CB GLU A 98 -10.937 9.184 -3.593 1.00 0.25 C ATOM 1507 CG GLU A 98 -12.379 9.061 -3.088 1.00 0.30 C ATOM 1508 CD GLU A 98 -13.262 8.477 -4.191 1.00 1.16 C ATOM 1509 OE1 GLU A 98 -13.719 9.242 -5.025 1.00 1.98 O ATOM 1510 OE2 GLU A 98 -13.467 7.274 -4.186 1.00 1.81 O ATOM 0 H GLU A 98 -8.486 8.860 -3.883 1.00 0.19 H new ATOM 0 HA GLU A 98 -10.606 7.145 -2.967 1.00 0.21 H new ATOM 0 HB2 GLU A 98 -10.339 9.746 -2.876 1.00 0.25 H new ATOM 0 HB3 GLU A 98 -10.918 9.741 -4.530 1.00 0.25 H new ATOM 0 HG2 GLU A 98 -12.412 8.422 -2.205 1.00 0.30 H new ATOM 0 HG3 GLU A 98 -12.754 10.039 -2.788 1.00 0.30 H new ATOM 1517 N ALA A 99 -10.762 7.900 -6.188 1.00 0.24 N ATOM 1518 CA ALA A 99 -11.270 7.370 -7.485 1.00 0.26 C ATOM 1519 C ALA A 99 -10.635 6.008 -7.780 1.00 0.23 C ATOM 1520 O ALA A 99 -11.243 5.150 -8.388 1.00 0.23 O ATOM 1521 CB ALA A 99 -10.917 8.348 -8.607 1.00 0.33 C ATOM 0 H ALA A 99 -10.346 8.830 -6.233 1.00 0.24 H new ATOM 0 HA ALA A 99 -12.352 7.254 -7.424 1.00 0.26 H new ATOM 0 HB1 ALA A 99 -11.288 7.962 -9.556 1.00 0.33 H new ATOM 0 HB2 ALA A 99 -11.377 9.315 -8.404 1.00 0.33 H new ATOM 0 HB3 ALA A 99 -9.835 8.465 -8.661 1.00 0.33 H new ATOM 1527 N THR A 100 -9.416 5.803 -7.363 1.00 0.23 N ATOM 1528 CA THR A 100 -8.749 4.496 -7.632 1.00 0.22 C ATOM 1529 C THR A 100 -9.378 3.401 -6.764 1.00 0.19 C ATOM 1530 O THR A 100 -9.795 2.372 -7.258 1.00 0.20 O ATOM 1531 CB THR A 100 -7.253 4.610 -7.320 1.00 0.24 C ATOM 1532 OG1 THR A 100 -6.765 5.855 -7.803 1.00 0.30 O ATOM 1533 CG2 THR A 100 -6.497 3.466 -8.000 1.00 0.27 C ATOM 0 H THR A 100 -8.854 6.481 -6.849 1.00 0.23 H new ATOM 0 HA THR A 100 -8.880 4.235 -8.682 1.00 0.22 H new ATOM 0 HB THR A 100 -7.101 4.551 -6.242 1.00 0.24 H new ATOM 0 HG1 THR A 100 -6.812 6.524 -7.089 1.00 0.30 H new ATOM 0 HG21 THR A 100 -5.433 3.549 -7.777 1.00 0.27 H new ATOM 0 HG22 THR A 100 -6.872 2.512 -7.630 1.00 0.27 H new ATOM 0 HG23 THR A 100 -6.647 3.521 -9.078 1.00 0.27 H new ATOM 1541 N ILE A 101 -9.449 3.609 -5.476 1.00 0.17 N ATOM 1542 CA ILE A 101 -10.052 2.572 -4.588 1.00 0.17 C ATOM 1543 C ILE A 101 -11.485 2.282 -5.050 1.00 0.20 C ATOM 1544 O ILE A 101 -11.924 1.149 -5.058 1.00 0.22 O ATOM 1545 CB ILE A 101 -10.057 3.077 -3.137 1.00 0.19 C ATOM 1546 CG1 ILE A 101 -8.611 3.082 -2.608 1.00 0.19 C ATOM 1547 CG2 ILE A 101 -10.919 2.153 -2.266 1.00 0.22 C ATOM 1548 CD1 ILE A 101 -8.512 3.870 -1.288 1.00 0.25 C ATOM 0 H ILE A 101 -9.117 4.449 -5.002 1.00 0.17 H new ATOM 0 HA ILE A 101 -9.465 1.655 -4.641 1.00 0.17 H new ATOM 0 HB ILE A 101 -10.471 4.085 -3.101 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -8.273 2.058 -2.451 1.00 0.19 H new ATOM 0 HG13 ILE A 101 -7.949 3.525 -3.352 1.00 0.19 H new ATOM 0 HG21 ILE A 101 -10.918 2.517 -1.238 1.00 0.22 H new ATOM 0 HG22 ILE A 101 -11.940 2.143 -2.647 1.00 0.22 H new ATOM 0 HG23 ILE A 101 -10.511 1.142 -2.294 1.00 0.22 H new ATOM 0 HD11 ILE A 101 -7.481 3.859 -0.934 1.00 0.25 H new ATOM 0 HD12 ILE A 101 -8.828 4.900 -1.455 1.00 0.25 H new ATOM 0 HD13 ILE A 101 -9.157 3.409 -0.540 1.00 0.25 H new ATOM 1560 N ASN A 102 -12.213 3.292 -5.436 1.00 0.22 N ATOM 1561 CA ASN A 102 -13.613 3.066 -5.897 1.00 0.26 C ATOM 1562 C ASN A 102 -13.581 2.418 -7.281 1.00 0.26 C ATOM 1563 O ASN A 102 -14.603 2.116 -7.865 1.00 0.29 O ATOM 1564 CB ASN A 102 -14.347 4.407 -5.975 1.00 0.30 C ATOM 1565 CG ASN A 102 -15.837 4.164 -6.225 1.00 0.40 C ATOM 1566 OD1 ASN A 102 -16.254 3.046 -6.448 1.00 0.85 O ATOM 1567 ND2 ASN A 102 -16.663 5.174 -6.198 1.00 0.83 N ATOM 0 H ASN A 102 -11.901 4.263 -5.453 1.00 0.22 H new ATOM 0 HA ASN A 102 -14.133 2.413 -5.196 1.00 0.26 H new ATOM 0 HB2 ASN A 102 -14.210 4.963 -5.047 1.00 0.30 H new ATOM 0 HB3 ASN A 102 -13.928 5.016 -6.776 1.00 0.30 H new ATOM 0 HD21 ASN A 102 -17.658 5.024 -6.364 1.00 0.83 H new ATOM 0 HD22 ASN A 102 -16.314 6.114 -6.011 1.00 0.83 H new ATOM 1574 N GLU A 103 -12.408 2.204 -7.810 1.00 0.24 N ATOM 1575 CA GLU A 103 -12.293 1.578 -9.156 1.00 0.28 C ATOM 1576 C GLU A 103 -12.446 0.058 -9.034 1.00 0.29 C ATOM 1577 O GLU A 103 -13.292 -0.545 -9.664 1.00 0.33 O ATOM 1578 CB GLU A 103 -10.917 1.908 -9.749 1.00 0.29 C ATOM 1579 CG GLU A 103 -10.941 1.688 -11.265 1.00 0.36 C ATOM 1580 CD GLU A 103 -11.781 2.781 -11.926 1.00 1.18 C ATOM 1581 OE1 GLU A 103 -11.424 3.940 -11.789 1.00 1.96 O ATOM 1582 OE2 GLU A 103 -12.768 2.441 -12.558 1.00 1.88 O ATOM 0 H GLU A 103 -11.520 2.437 -7.365 1.00 0.24 H new ATOM 0 HA GLU A 103 -13.077 1.966 -9.806 1.00 0.28 H new ATOM 0 HB2 GLU A 103 -10.653 2.942 -9.526 1.00 0.29 H new ATOM 0 HB3 GLU A 103 -10.153 1.278 -9.293 1.00 0.29 H new ATOM 0 HG2 GLU A 103 -9.926 1.705 -11.662 1.00 0.36 H new ATOM 0 HG3 GLU A 103 -11.356 0.707 -11.494 1.00 0.36 H new ATOM 1589 N LEU A 104 -11.620 -0.566 -8.233 1.00 0.28 N ATOM 1590 CA LEU A 104 -11.693 -2.051 -8.072 1.00 0.31 C ATOM 1591 C LEU A 104 -12.472 -2.402 -6.800 1.00 0.32 C ATOM 1592 O LEU A 104 -12.374 -3.498 -6.287 1.00 0.37 O ATOM 1593 CB LEU A 104 -10.271 -2.616 -7.958 1.00 0.33 C ATOM 1594 CG LEU A 104 -9.436 -2.206 -9.186 1.00 0.38 C ATOM 1595 CD1 LEU A 104 -7.946 -2.318 -8.851 1.00 0.37 C ATOM 1596 CD2 LEU A 104 -9.754 -3.129 -10.371 1.00 0.57 C ATOM 0 H LEU A 104 -10.894 -0.109 -7.681 1.00 0.28 H new ATOM 0 HA LEU A 104 -12.200 -2.480 -8.936 1.00 0.31 H new ATOM 0 HB2 LEU A 104 -9.797 -2.248 -7.048 1.00 0.33 H new ATOM 0 HB3 LEU A 104 -10.309 -3.703 -7.881 1.00 0.33 H new ATOM 0 HG LEU A 104 -9.681 -1.178 -9.453 1.00 0.38 H new ATOM 0 HD11 LEU A 104 -7.355 -2.028 -9.720 1.00 0.37 H new ATOM 0 HD12 LEU A 104 -7.710 -1.659 -8.015 1.00 0.37 H new ATOM 0 HD13 LEU A 104 -7.711 -3.347 -8.579 1.00 0.37 H new ATOM 0 HD21 LEU A 104 -9.159 -2.831 -11.234 1.00 0.57 H new ATOM 0 HD22 LEU A 104 -9.516 -4.159 -10.104 1.00 0.57 H new ATOM 0 HD23 LEU A 104 -10.813 -3.053 -10.617 1.00 0.57 H new ATOM 1608 N VAL A 105 -13.245 -1.485 -6.285 1.00 0.29 N ATOM 1609 CA VAL A 105 -14.022 -1.784 -5.049 1.00 0.33 C ATOM 1610 C VAL A 105 -15.087 -2.839 -5.358 1.00 0.39 C ATOM 1611 O VAL A 105 -15.553 -2.869 -6.485 1.00 1.16 O ATOM 1612 CB VAL A 105 -14.700 -0.508 -4.545 1.00 0.32 C ATOM 1613 CG1 VAL A 105 -15.607 0.057 -5.639 1.00 0.33 C ATOM 1614 CG2 VAL A 105 -15.540 -0.833 -3.309 1.00 0.38 C ATOM 1615 OXT VAL A 105 -15.417 -3.598 -4.462 1.00 1.10 O ATOM 0 H VAL A 105 -13.372 -0.547 -6.664 1.00 0.29 H new ATOM 0 HA VAL A 105 -13.347 -2.162 -4.281 1.00 0.33 H new ATOM 0 HB VAL A 105 -13.939 0.229 -4.288 1.00 0.32 H new ATOM 0 HG11 VAL A 105 -16.089 0.966 -5.279 1.00 0.33 H new ATOM 0 HG12 VAL A 105 -15.011 0.288 -6.522 1.00 0.33 H new ATOM 0 HG13 VAL A 105 -16.368 -0.680 -5.897 1.00 0.33 H new ATOM 0 HG21 VAL A 105 -16.024 0.075 -2.949 1.00 0.38 H new ATOM 0 HG22 VAL A 105 -16.300 -1.570 -3.569 1.00 0.38 H new ATOM 0 HG23 VAL A 105 -14.896 -1.236 -2.527 1.00 0.38 H new