USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 520 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 Single : A 1 GLY N :NH3+ 134:sc= 0.0156 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 177:sc= 0 (180deg=-0.00374) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.95 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -174:sc= -0.541 USER MOD Single : A 24 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.4!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.981 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.495 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.248 F(o=-1.3,f=-0.25) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 LYS NZ :NH3+ -122:sc= 0.0863 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc=-0.00618 K(o=-0.0062,f=-0.86) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 133:sc= -0.99 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.885 -25.272 0.268 1.00 0.00 N ATOM 2 CA GLY A 1 -9.753 -24.167 0.629 1.00 0.00 C ATOM 3 C GLY A 1 -8.979 -22.907 0.962 1.00 0.00 C ATOM 4 O GLY A 1 -7.887 -22.972 1.527 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.192 -26.132 0.766 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.934 -25.431 -0.759 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.906 -25.047 0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.437 -23.962 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.362 -24.453 1.486 1.00 0.00 H new ATOM 8 N SER A 2 -9.544 -21.756 0.610 1.00 0.00 N ATOM 9 CA SER A 2 -8.897 -20.475 0.871 1.00 0.00 C ATOM 10 C SER A 2 -8.465 -20.371 2.330 1.00 0.00 C ATOM 11 O SER A 2 -9.254 -19.997 3.197 1.00 0.00 O ATOM 12 CB SER A 2 -9.841 -19.323 0.523 1.00 0.00 C ATOM 13 OG SER A 2 -9.232 -18.070 0.781 1.00 0.00 O ATOM 0 H SER A 2 -10.448 -21.684 0.143 1.00 0.00 H new ATOM 0 HA SER A 2 -8.009 -20.410 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.123 -19.384 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.758 -19.412 1.105 1.00 0.00 H new ATOM 0 HG SER A 2 -9.855 -17.350 0.549 1.00 0.00 H new ATOM 19 N SER A 3 -7.206 -20.706 2.593 1.00 0.00 N ATOM 20 CA SER A 3 -6.668 -20.655 3.948 1.00 0.00 C ATOM 21 C SER A 3 -5.225 -20.160 3.941 1.00 0.00 C ATOM 22 O SER A 3 -4.577 -20.115 2.897 1.00 0.00 O ATOM 23 CB SER A 3 -6.743 -22.036 4.602 1.00 0.00 C ATOM 24 OG SER A 3 -5.798 -22.923 4.029 1.00 0.00 O ATOM 0 H SER A 3 -6.539 -21.016 1.886 1.00 0.00 H new ATOM 0 HA SER A 3 -7.271 -19.955 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.559 -21.945 5.673 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.747 -22.444 4.484 1.00 0.00 H new ATOM 0 HG SER A 3 -5.865 -23.798 4.465 1.00 0.00 H new ATOM 30 N GLY A 4 -4.728 -19.789 5.118 1.00 0.00 N ATOM 31 CA GLY A 4 -3.365 -19.302 5.226 1.00 0.00 C ATOM 32 C GLY A 4 -3.302 -17.814 5.510 1.00 0.00 C ATOM 33 O GLY A 4 -4.102 -17.288 6.283 1.00 0.00 O ATOM 0 H GLY A 4 -5.244 -19.817 5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.851 -19.843 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.832 -19.515 4.299 1.00 0.00 H new ATOM 37 N SER A 5 -2.347 -17.134 4.882 1.00 0.00 N ATOM 38 CA SER A 5 -2.179 -15.698 5.075 1.00 0.00 C ATOM 39 C SER A 5 -3.202 -14.917 4.256 1.00 0.00 C ATOM 40 O SER A 5 -3.053 -14.758 3.045 1.00 0.00 O ATOM 41 CB SER A 5 -0.763 -15.272 4.684 1.00 0.00 C ATOM 42 OG SER A 5 0.190 -15.759 5.613 1.00 0.00 O ATOM 0 H SER A 5 -1.679 -17.554 4.236 1.00 0.00 H new ATOM 0 HA SER A 5 -2.339 -15.477 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.529 -15.647 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.707 -14.184 4.637 1.00 0.00 H new ATOM 0 HG SER A 5 1.087 -15.475 5.340 1.00 0.00 H new ATOM 48 N SER A 6 -4.242 -14.431 4.927 1.00 0.00 N ATOM 49 CA SER A 6 -5.292 -13.669 4.262 1.00 0.00 C ATOM 50 C SER A 6 -5.026 -12.171 4.368 1.00 0.00 C ATOM 51 O SER A 6 -5.063 -11.597 5.456 1.00 0.00 O ATOM 52 CB SER A 6 -6.656 -14.001 4.872 1.00 0.00 C ATOM 53 OG SER A 6 -7.706 -13.692 3.971 1.00 0.00 O ATOM 0 H SER A 6 -4.379 -14.552 5.930 1.00 0.00 H new ATOM 0 HA SER A 6 -5.296 -13.946 3.208 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.694 -15.059 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.790 -13.441 5.798 1.00 0.00 H new ATOM 0 HG SER A 6 -8.567 -13.915 4.383 1.00 0.00 H new ATOM 59 N GLY A 7 -4.758 -11.542 3.227 1.00 0.00 N ATOM 60 CA GLY A 7 -4.489 -10.116 3.212 1.00 0.00 C ATOM 61 C GLY A 7 -5.748 -9.291 3.032 1.00 0.00 C ATOM 62 O GLY A 7 -6.838 -9.837 2.868 1.00 0.00 O ATOM 0 H GLY A 7 -4.722 -11.995 2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.002 -9.831 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.791 -9.889 2.406 1.00 0.00 H new ATOM 66 N ARG A 8 -5.597 -7.970 3.064 1.00 0.00 N ATOM 67 CA ARG A 8 -6.732 -7.068 2.905 1.00 0.00 C ATOM 68 C ARG A 8 -6.537 -6.157 1.697 1.00 0.00 C ATOM 69 O ARG A 8 -5.414 -5.766 1.376 1.00 0.00 O ATOM 70 CB ARG A 8 -6.921 -6.226 4.168 1.00 0.00 C ATOM 71 CG ARG A 8 -5.930 -5.079 4.289 1.00 0.00 C ATOM 72 CD ARG A 8 -5.631 -4.753 5.744 1.00 0.00 C ATOM 73 NE ARG A 8 -6.660 -3.902 6.336 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.748 -3.653 7.638 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.873 -4.187 8.479 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.713 -2.869 8.101 1.00 0.00 N ATOM 0 H ARG A 8 -4.701 -7.502 3.198 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.625 -7.672 2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.934 -5.823 4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.826 -6.871 5.042 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.005 -5.341 3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.331 -4.196 3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.553 -5.679 6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.664 -4.254 5.813 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.349 -3.476 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.130 -4.791 8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.943 -3.994 9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.388 -2.457 7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.780 -2.678 9.101 1.00 0.00 H new ATOM 90 N ARG A 9 -7.637 -5.823 1.031 1.00 0.00 N ATOM 91 CA ARG A 9 -7.587 -4.959 -0.143 1.00 0.00 C ATOM 92 C ARG A 9 -7.793 -3.499 0.248 1.00 0.00 C ATOM 93 O ARG A 9 -8.846 -3.127 0.765 1.00 0.00 O ATOM 94 CB ARG A 9 -8.650 -5.381 -1.159 1.00 0.00 C ATOM 95 CG ARG A 9 -8.176 -6.452 -2.128 1.00 0.00 C ATOM 96 CD ARG A 9 -9.279 -6.858 -3.093 1.00 0.00 C ATOM 97 NE ARG A 9 -9.819 -5.712 -3.820 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.698 -5.819 -4.810 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.134 -7.012 -5.189 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.143 -4.729 -5.424 1.00 0.00 N ATOM 0 H ARG A 9 -8.574 -6.137 1.284 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.601 -5.060 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.526 -5.749 -0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.967 -4.505 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.318 -6.082 -2.689 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.839 -7.326 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.889 -7.587 -3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.081 -7.348 -2.541 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.504 -4.779 -3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.794 -7.852 -4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.809 -7.090 -5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.810 -3.809 -5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.818 -4.812 -6.184 1.00 0.00 H new ATOM 114 N MET A 10 -6.780 -2.676 -0.004 1.00 0.00 N ATOM 115 CA MET A 10 -6.850 -1.256 0.321 1.00 0.00 C ATOM 116 C MET A 10 -7.032 -0.418 -0.940 1.00 0.00 C ATOM 117 O MET A 10 -6.618 -0.819 -2.028 1.00 0.00 O ATOM 118 CB MET A 10 -5.585 -0.817 1.062 1.00 0.00 C ATOM 119 CG MET A 10 -5.154 -1.783 2.153 1.00 0.00 C ATOM 120 SD MET A 10 -4.139 -0.994 3.417 1.00 0.00 S ATOM 121 CE MET A 10 -5.397 -0.197 4.412 1.00 0.00 C ATOM 0 H MET A 10 -5.901 -2.968 -0.432 1.00 0.00 H new ATOM 0 HA MET A 10 -7.713 -1.099 0.968 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.773 -0.707 0.344 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.755 0.165 1.504 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.039 -2.215 2.620 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.596 -2.605 1.705 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.930 0.290 5.268 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.919 0.548 3.811 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.109 -0.943 4.764 1.00 0.00 H new ATOM 131 N VAL A 11 -7.654 0.747 -0.787 1.00 0.00 N ATOM 132 CA VAL A 11 -7.890 1.641 -1.914 1.00 0.00 C ATOM 133 C VAL A 11 -7.068 2.919 -1.782 1.00 0.00 C ATOM 134 O VAL A 11 -7.259 3.699 -0.850 1.00 0.00 O ATOM 135 CB VAL A 11 -9.380 2.012 -2.034 1.00 0.00 C ATOM 136 CG1 VAL A 11 -9.859 2.714 -0.772 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.615 2.882 -3.259 1.00 0.00 C ATOM 0 H VAL A 11 -8.003 1.093 0.106 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.583 1.106 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.957 1.095 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.914 2.968 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.727 2.053 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.279 3.624 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.673 3.135 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.028 3.797 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.312 2.339 -4.154 1.00 0.00 H new ATOM 147 N ALA A 12 -6.153 3.127 -2.723 1.00 0.00 N ATOM 148 CA ALA A 12 -5.304 4.311 -2.715 1.00 0.00 C ATOM 149 C ALA A 12 -6.136 5.583 -2.583 1.00 0.00 C ATOM 150 O ALA A 12 -6.964 5.886 -3.443 1.00 0.00 O ATOM 151 CB ALA A 12 -4.455 4.362 -3.976 1.00 0.00 C ATOM 0 H ALA A 12 -5.981 2.490 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.645 4.248 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.826 5.252 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.825 3.474 -4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.104 4.397 -4.851 1.00 0.00 H new ATOM 157 N LEU A 13 -5.912 6.322 -1.503 1.00 0.00 N ATOM 158 CA LEU A 13 -6.641 7.561 -1.258 1.00 0.00 C ATOM 159 C LEU A 13 -6.052 8.710 -2.071 1.00 0.00 C ATOM 160 O LEU A 13 -6.763 9.635 -2.463 1.00 0.00 O ATOM 161 CB LEU A 13 -6.613 7.908 0.231 1.00 0.00 C ATOM 162 CG LEU A 13 -7.333 6.930 1.161 1.00 0.00 C ATOM 163 CD1 LEU A 13 -7.035 7.260 2.616 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.832 6.954 0.903 1.00 0.00 C ATOM 0 H LEU A 13 -5.231 6.085 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.675 7.412 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.572 7.980 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.055 8.896 0.362 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.965 5.925 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.555 6.554 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.962 7.191 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.374 8.272 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.328 6.252 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.216 7.959 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.028 6.668 -0.131 1.00 0.00 H new ATOM 176 N TYR A 14 -4.749 8.642 -2.321 1.00 0.00 N ATOM 177 CA TYR A 14 -4.063 9.677 -3.086 1.00 0.00 C ATOM 178 C TYR A 14 -2.907 9.086 -3.886 1.00 0.00 C ATOM 179 O TYR A 14 -2.325 8.071 -3.501 1.00 0.00 O ATOM 180 CB TYR A 14 -3.545 10.772 -2.153 1.00 0.00 C ATOM 181 CG TYR A 14 -4.576 11.260 -1.160 1.00 0.00 C ATOM 182 CD1 TYR A 14 -4.806 10.574 0.026 1.00 0.00 C ATOM 183 CD2 TYR A 14 -5.319 12.407 -1.408 1.00 0.00 C ATOM 184 CE1 TYR A 14 -5.748 11.016 0.935 1.00 0.00 C ATOM 185 CE2 TYR A 14 -6.262 12.857 -0.504 1.00 0.00 C ATOM 186 CZ TYR A 14 -6.473 12.158 0.666 1.00 0.00 C ATOM 187 OH TYR A 14 -7.410 12.602 1.569 1.00 0.00 O ATOM 0 H TYR A 14 -4.147 7.882 -2.005 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.779 10.112 -3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.679 10.394 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.202 11.616 -2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.239 9.680 0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.157 12.957 -2.323 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.916 10.470 1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.831 13.751 -0.712 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.831 13.419 1.229 1.00 0.00 H new ATOM 197 N ASP A 15 -2.579 9.728 -5.002 1.00 0.00 N ATOM 198 CA ASP A 15 -1.491 9.268 -5.858 1.00 0.00 C ATOM 199 C ASP A 15 -0.159 9.314 -5.115 1.00 0.00 C ATOM 200 O ASP A 15 0.302 10.383 -4.713 1.00 0.00 O ATOM 201 CB ASP A 15 -1.413 10.123 -7.124 1.00 0.00 C ATOM 202 CG ASP A 15 -2.783 10.494 -7.657 1.00 0.00 C ATOM 203 OD1 ASP A 15 -3.365 9.685 -8.410 1.00 0.00 O ATOM 204 OD2 ASP A 15 -3.273 11.593 -7.322 1.00 0.00 O ATOM 0 H ASP A 15 -3.051 10.569 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.694 8.235 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.851 11.032 -6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.862 9.580 -7.892 1.00 0.00 H new ATOM 209 N TYR A 16 0.453 8.149 -4.936 1.00 0.00 N ATOM 210 CA TYR A 16 1.730 8.056 -4.238 1.00 0.00 C ATOM 211 C TYR A 16 2.892 8.065 -5.227 1.00 0.00 C ATOM 212 O TYR A 16 2.701 7.880 -6.429 1.00 0.00 O ATOM 213 CB TYR A 16 1.779 6.786 -3.387 1.00 0.00 C ATOM 214 CG TYR A 16 3.093 6.592 -2.664 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.503 7.481 -1.678 1.00 0.00 C ATOM 216 CD2 TYR A 16 3.923 5.521 -2.967 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.703 7.308 -1.015 1.00 0.00 C ATOM 218 CE2 TYR A 16 5.124 5.339 -2.308 1.00 0.00 C ATOM 219 CZ TYR A 16 5.509 6.236 -1.333 1.00 0.00 C ATOM 220 OH TYR A 16 6.705 6.059 -0.676 1.00 0.00 O ATOM 0 H TYR A 16 0.086 7.256 -5.264 1.00 0.00 H new ATOM 0 HA TYR A 16 1.824 8.925 -3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.972 6.818 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.595 5.923 -4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.873 8.321 -1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.625 4.818 -3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.008 8.009 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.757 4.500 -2.555 1.00 0.00 H new ATOM 0 HH TYR A 16 7.151 5.256 -1.018 1.00 0.00 H new ATOM 230 N ASP A 17 4.097 8.280 -4.710 1.00 0.00 N ATOM 231 CA ASP A 17 5.292 8.311 -5.545 1.00 0.00 C ATOM 232 C ASP A 17 6.555 8.253 -4.690 1.00 0.00 C ATOM 233 O ASP A 17 6.946 9.229 -4.051 1.00 0.00 O ATOM 234 CB ASP A 17 5.304 9.573 -6.409 1.00 0.00 C ATOM 235 CG ASP A 17 4.614 9.368 -7.743 1.00 0.00 C ATOM 236 OD1 ASP A 17 5.251 8.811 -8.662 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.436 9.763 -7.868 1.00 0.00 O ATOM 0 H ASP A 17 4.272 8.435 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 17 5.274 7.436 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.813 10.383 -5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.335 9.883 -6.580 1.00 0.00 H new ATOM 242 N PRO A 18 7.207 7.081 -4.677 1.00 0.00 N ATOM 243 CA PRO A 18 8.434 6.867 -3.904 1.00 0.00 C ATOM 244 C PRO A 18 9.621 7.633 -4.477 1.00 0.00 C ATOM 245 O PRO A 18 10.741 7.525 -3.978 1.00 0.00 O ATOM 246 CB PRO A 18 8.666 5.358 -4.017 1.00 0.00 C ATOM 247 CG PRO A 18 7.987 4.965 -5.284 1.00 0.00 C ATOM 248 CD PRO A 18 6.798 5.875 -5.416 1.00 0.00 C ATOM 0 HA PRO A 18 8.336 7.221 -2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.730 5.122 -4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.247 4.828 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.658 5.073 -6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.677 3.920 -5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.577 6.099 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.900 5.428 -4.989 1.00 0.00 H new ATOM 256 N ARG A 19 9.369 8.407 -5.528 1.00 0.00 N ATOM 257 CA ARG A 19 10.417 9.191 -6.169 1.00 0.00 C ATOM 258 C ARG A 19 10.506 10.585 -5.556 1.00 0.00 C ATOM 259 O ARG A 19 11.578 11.188 -5.514 1.00 0.00 O ATOM 260 CB ARG A 19 10.156 9.299 -7.673 1.00 0.00 C ATOM 261 CG ARG A 19 10.503 8.036 -8.443 1.00 0.00 C ATOM 262 CD ARG A 19 9.671 7.910 -9.710 1.00 0.00 C ATOM 263 NE ARG A 19 9.879 6.628 -10.377 1.00 0.00 N ATOM 264 CZ ARG A 19 10.920 6.367 -11.160 1.00 0.00 C ATOM 265 NH1 ARG A 19 11.843 7.295 -11.373 1.00 0.00 N ATOM 266 NH2 ARG A 19 11.040 5.175 -11.731 1.00 0.00 N ATOM 0 H ARG A 19 8.447 8.508 -5.953 1.00 0.00 H new ATOM 0 HA ARG A 19 11.367 8.681 -6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.104 9.536 -7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.735 10.130 -8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.562 8.045 -8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.337 7.165 -7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.615 8.023 -9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.927 8.720 -10.393 1.00 0.00 H new ATOM 0 HE ARG A 19 9.187 5.892 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.755 8.212 -10.935 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.641 7.092 -11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.333 4.458 -11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.840 4.976 -12.332 1.00 0.00 H new ATOM 280 N GLU A 20 9.372 11.091 -5.083 1.00 0.00 N ATOM 281 CA GLU A 20 9.322 12.415 -4.473 1.00 0.00 C ATOM 282 C GLU A 20 9.065 12.314 -2.972 1.00 0.00 C ATOM 283 O GLU A 20 9.799 12.885 -2.166 1.00 0.00 O ATOM 284 CB GLU A 20 8.233 13.264 -5.132 1.00 0.00 C ATOM 285 CG GLU A 20 8.628 13.812 -6.493 1.00 0.00 C ATOM 286 CD GLU A 20 9.647 14.931 -6.398 1.00 0.00 C ATOM 287 OE1 GLU A 20 9.408 15.888 -5.632 1.00 0.00 O ATOM 288 OE2 GLU A 20 10.684 14.849 -7.089 1.00 0.00 O ATOM 0 H GLU A 20 8.476 10.605 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 20 10.289 12.894 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.331 12.662 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.984 14.096 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.036 13.005 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.738 14.178 -7.005 1.00 0.00 H new ATOM 295 N SER A 21 8.016 11.584 -2.606 1.00 0.00 N ATOM 296 CA SER A 21 7.659 11.411 -1.203 1.00 0.00 C ATOM 297 C SER A 21 8.775 10.703 -0.441 1.00 0.00 C ATOM 298 O SER A 21 9.285 11.217 0.555 1.00 0.00 O ATOM 299 CB SER A 21 6.358 10.615 -1.080 1.00 0.00 C ATOM 300 OG SER A 21 5.241 11.402 -1.456 1.00 0.00 O ATOM 0 H SER A 21 7.399 11.103 -3.261 1.00 0.00 H new ATOM 0 HA SER A 21 7.515 12.399 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.410 9.727 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.235 10.270 -0.053 1.00 0.00 H new ATOM 0 HG SER A 21 4.422 10.870 -1.370 1.00 0.00 H new ATOM 306 N SER A 22 9.150 9.520 -0.916 1.00 0.00 N ATOM 307 CA SER A 22 10.203 8.738 -0.279 1.00 0.00 C ATOM 308 C SER A 22 11.571 9.366 -0.526 1.00 0.00 C ATOM 309 O SER A 22 11.847 9.913 -1.594 1.00 0.00 O ATOM 310 CB SER A 22 10.187 7.300 -0.801 1.00 0.00 C ATOM 311 OG SER A 22 10.648 6.394 0.187 1.00 0.00 O ATOM 0 H SER A 22 8.740 9.082 -1.741 1.00 0.00 H new ATOM 0 HA SER A 22 10.015 8.729 0.795 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.175 7.030 -1.102 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.815 7.225 -1.689 1.00 0.00 H new ATOM 0 HG SER A 22 10.717 5.496 -0.199 1.00 0.00 H new ATOM 317 N PRO A 23 12.449 9.287 0.485 1.00 0.00 N ATOM 318 CA PRO A 23 13.804 9.841 0.402 1.00 0.00 C ATOM 319 C PRO A 23 14.692 9.060 -0.561 1.00 0.00 C ATOM 320 O PRO A 23 15.906 9.252 -0.593 1.00 0.00 O ATOM 321 CB PRO A 23 14.327 9.715 1.835 1.00 0.00 C ATOM 322 CG PRO A 23 13.547 8.591 2.425 1.00 0.00 C ATOM 323 CD PRO A 23 12.187 8.650 1.786 1.00 0.00 C ATOM 0 HA PRO A 23 13.804 10.863 0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.397 9.505 1.849 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.176 10.638 2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.030 7.634 2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.474 8.693 3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.755 7.656 1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.487 9.232 2.385 1.00 0.00 H new ATOM 331 N ASN A 24 14.077 8.179 -1.343 1.00 0.00 N ATOM 332 CA ASN A 24 14.813 7.369 -2.307 1.00 0.00 C ATOM 333 C ASN A 24 15.582 6.253 -1.605 1.00 0.00 C ATOM 334 O ASN A 24 16.754 6.013 -1.896 1.00 0.00 O ATOM 335 CB ASN A 24 15.780 8.243 -3.108 1.00 0.00 C ATOM 336 CG ASN A 24 15.278 9.666 -3.264 1.00 0.00 C ATOM 337 OD1 ASN A 24 14.163 9.894 -3.735 1.00 0.00 O ATOM 338 ND2 ASN A 24 16.101 10.630 -2.869 1.00 0.00 N ATOM 0 H ASN A 24 13.072 8.008 -1.328 1.00 0.00 H new ATOM 0 HA ASN A 24 14.092 6.918 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.751 8.255 -2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.931 7.804 -4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.818 11.607 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 24 17.016 10.394 -2.485 1.00 0.00 H new ATOM 345 N VAL A 25 14.913 5.573 -0.679 1.00 0.00 N ATOM 346 CA VAL A 25 15.532 4.482 0.064 1.00 0.00 C ATOM 347 C VAL A 25 15.091 3.128 -0.480 1.00 0.00 C ATOM 348 O VAL A 25 14.091 2.564 -0.035 1.00 0.00 O ATOM 349 CB VAL A 25 15.188 4.557 1.563 1.00 0.00 C ATOM 350 CG1 VAL A 25 16.024 5.625 2.251 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.703 4.825 1.756 1.00 0.00 C ATOM 0 H VAL A 25 13.943 5.759 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 25 16.610 4.587 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 25 15.423 3.596 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.766 5.663 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 25 17.082 5.385 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.824 6.594 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.478 4.875 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.440 5.772 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.126 4.020 1.300 1.00 0.00 H new ATOM 361 N ASP A 26 15.844 2.610 -1.445 1.00 0.00 N ATOM 362 CA ASP A 26 15.532 1.321 -2.050 1.00 0.00 C ATOM 363 C ASP A 26 14.141 1.336 -2.676 1.00 0.00 C ATOM 364 O ASP A 26 13.464 0.310 -2.736 1.00 0.00 O ATOM 365 CB ASP A 26 15.621 0.208 -1.004 1.00 0.00 C ATOM 366 CG ASP A 26 17.033 -0.319 -0.839 1.00 0.00 C ATOM 367 OD1 ASP A 26 17.850 0.364 -0.186 1.00 0.00 O ATOM 368 OD2 ASP A 26 17.321 -1.416 -1.362 1.00 0.00 O ATOM 0 H ASP A 26 16.675 3.064 -1.825 1.00 0.00 H new ATOM 0 HA ASP A 26 16.263 1.131 -2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.262 0.584 -0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.962 -0.611 -1.292 1.00 0.00 H new ATOM 373 N VAL A 27 13.721 2.508 -3.142 1.00 0.00 N ATOM 374 CA VAL A 27 12.411 2.658 -3.764 1.00 0.00 C ATOM 375 C VAL A 27 12.136 1.524 -4.745 1.00 0.00 C ATOM 376 O VAL A 27 10.982 1.184 -5.008 1.00 0.00 O ATOM 377 CB VAL A 27 12.291 4.003 -4.505 1.00 0.00 C ATOM 378 CG1 VAL A 27 12.432 5.163 -3.531 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.332 4.096 -5.611 1.00 0.00 C ATOM 0 H VAL A 27 14.269 3.367 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 27 11.674 2.628 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 27 11.303 4.060 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.345 6.105 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.647 5.103 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.406 5.113 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.233 5.052 -6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.330 4.017 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.180 3.285 -6.323 1.00 0.00 H new ATOM 389 N GLU A 28 13.203 0.942 -5.283 1.00 0.00 N ATOM 390 CA GLU A 28 13.075 -0.154 -6.236 1.00 0.00 C ATOM 391 C GLU A 28 12.083 -1.199 -5.734 1.00 0.00 C ATOM 392 O GLU A 28 11.526 -1.968 -6.516 1.00 0.00 O ATOM 393 CB GLU A 28 14.438 -0.806 -6.483 1.00 0.00 C ATOM 394 CG GLU A 28 15.305 -0.046 -7.472 1.00 0.00 C ATOM 395 CD GLU A 28 15.001 -0.407 -8.913 1.00 0.00 C ATOM 396 OE1 GLU A 28 15.556 -1.411 -9.404 1.00 0.00 O ATOM 397 OE2 GLU A 28 14.206 0.316 -9.550 1.00 0.00 O ATOM 0 H GLU A 28 14.165 1.211 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 28 12.701 0.256 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.969 -0.888 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.285 -1.820 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.157 1.025 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.355 -0.253 -7.263 1.00 0.00 H new ATOM 404 N ALA A 29 11.869 -1.221 -4.422 1.00 0.00 N ATOM 405 CA ALA A 29 10.944 -2.169 -3.815 1.00 0.00 C ATOM 406 C ALA A 29 9.579 -1.532 -3.581 1.00 0.00 C ATOM 407 O ALA A 29 8.548 -2.194 -3.694 1.00 0.00 O ATOM 408 CB ALA A 29 11.513 -2.698 -2.507 1.00 0.00 C ATOM 0 H ALA A 29 12.324 -0.593 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 29 10.813 -3.003 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.811 -3.405 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.461 -3.200 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.675 -1.868 -1.819 1.00 0.00 H new ATOM 414 N GLU A 30 9.581 -0.243 -3.253 1.00 0.00 N ATOM 415 CA GLU A 30 8.341 0.482 -3.002 1.00 0.00 C ATOM 416 C GLU A 30 7.377 0.335 -4.175 1.00 0.00 C ATOM 417 O GLU A 30 7.796 0.152 -5.319 1.00 0.00 O ATOM 418 CB GLU A 30 8.633 1.963 -2.750 1.00 0.00 C ATOM 419 CG GLU A 30 8.991 2.275 -1.306 1.00 0.00 C ATOM 420 CD GLU A 30 9.127 3.763 -1.048 1.00 0.00 C ATOM 421 OE1 GLU A 30 10.012 4.393 -1.665 1.00 0.00 O ATOM 422 OE2 GLU A 30 8.350 4.298 -0.230 1.00 0.00 O ATOM 0 H GLU A 30 10.426 0.319 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 30 7.873 0.055 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.453 2.278 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.760 2.550 -3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.225 1.864 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.928 1.779 -1.052 1.00 0.00 H new ATOM 429 N LEU A 31 6.083 0.415 -3.884 1.00 0.00 N ATOM 430 CA LEU A 31 5.058 0.290 -4.914 1.00 0.00 C ATOM 431 C LEU A 31 4.511 1.659 -5.307 1.00 0.00 C ATOM 432 O LEU A 31 4.135 2.459 -4.450 1.00 0.00 O ATOM 433 CB LEU A 31 3.919 -0.604 -4.422 1.00 0.00 C ATOM 434 CG LEU A 31 4.213 -2.104 -4.382 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.050 -2.860 -3.760 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.506 -2.629 -5.780 1.00 0.00 C ATOM 0 H LEU A 31 5.719 0.566 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 31 5.515 -0.165 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.638 -0.282 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.053 -0.441 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 31 5.096 -2.264 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.278 -3.926 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.888 -2.505 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.149 -2.692 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.713 -3.698 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.643 -2.455 -6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.373 -2.110 -6.189 1.00 0.00 H new ATOM 448 N THR A 32 4.468 1.922 -6.609 1.00 0.00 N ATOM 449 CA THR A 32 3.966 3.193 -7.116 1.00 0.00 C ATOM 450 C THR A 32 2.525 3.064 -7.595 1.00 0.00 C ATOM 451 O THR A 32 2.272 2.661 -8.731 1.00 0.00 O ATOM 452 CB THR A 32 4.835 3.719 -8.274 1.00 0.00 C ATOM 453 OG1 THR A 32 6.222 3.611 -7.934 1.00 0.00 O ATOM 454 CG2 THR A 32 4.497 5.167 -8.591 1.00 0.00 C ATOM 0 H THR A 32 4.775 1.271 -7.332 1.00 0.00 H new ATOM 0 HA THR A 32 4.009 3.902 -6.289 1.00 0.00 H new ATOM 0 HB THR A 32 4.629 3.113 -9.157 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.768 3.946 -8.676 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.124 5.516 -9.412 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.448 5.241 -8.878 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.676 5.784 -7.710 1.00 0.00 H new ATOM 462 N PHE A 33 1.583 3.409 -6.723 1.00 0.00 N ATOM 463 CA PHE A 33 0.166 3.330 -7.058 1.00 0.00 C ATOM 464 C PHE A 33 -0.418 4.723 -7.277 1.00 0.00 C ATOM 465 O PHE A 33 0.252 5.731 -7.053 1.00 0.00 O ATOM 466 CB PHE A 33 -0.603 2.611 -5.948 1.00 0.00 C ATOM 467 CG PHE A 33 -0.231 3.069 -4.567 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.948 2.644 -3.976 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.060 3.925 -3.859 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.294 3.064 -2.705 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.719 4.348 -2.589 1.00 0.00 C ATOM 472 CZ PHE A 33 0.458 3.917 -2.010 1.00 0.00 C ATOM 0 H PHE A 33 1.775 3.746 -5.780 1.00 0.00 H new ATOM 0 HA PHE A 33 0.067 2.763 -7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.671 2.766 -6.098 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.422 1.539 -6.028 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.605 1.977 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.983 4.265 -4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.216 2.726 -2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.373 5.016 -2.049 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.725 4.246 -1.016 1.00 0.00 H new ATOM 482 N CYS A 34 -1.671 4.769 -7.717 1.00 0.00 N ATOM 483 CA CYS A 34 -2.347 6.037 -7.968 1.00 0.00 C ATOM 484 C CYS A 34 -3.722 6.061 -7.309 1.00 0.00 C ATOM 485 O CYS A 34 -4.241 5.024 -6.892 1.00 0.00 O ATOM 486 CB CYS A 34 -2.484 6.277 -9.472 1.00 0.00 C ATOM 487 SG CYS A 34 -1.066 7.114 -10.219 1.00 0.00 S ATOM 0 H CYS A 34 -2.239 3.943 -7.907 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.743 6.834 -7.534 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.630 5.319 -9.970 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.380 6.871 -9.654 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.275 7.270 -11.493 1.00 0.00 H new ATOM 493 N THR A 35 -4.309 7.250 -7.217 1.00 0.00 N ATOM 494 CA THR A 35 -5.622 7.409 -6.607 1.00 0.00 C ATOM 495 C THR A 35 -6.588 6.333 -7.091 1.00 0.00 C ATOM 496 O THR A 35 -6.888 6.245 -8.281 1.00 0.00 O ATOM 497 CB THR A 35 -6.220 8.795 -6.914 1.00 0.00 C ATOM 498 OG1 THR A 35 -5.288 9.821 -6.555 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.525 9.001 -6.159 1.00 0.00 C ATOM 0 H THR A 35 -3.895 8.118 -7.558 1.00 0.00 H new ATOM 0 HA THR A 35 -5.484 7.311 -5.530 1.00 0.00 H new ATOM 0 HB THR A 35 -6.425 8.849 -7.983 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.675 10.699 -6.755 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.928 9.987 -6.392 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.242 8.236 -6.457 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.341 8.928 -5.087 1.00 0.00 H new ATOM 507 N GLY A 36 -7.072 5.517 -6.160 1.00 0.00 N ATOM 508 CA GLY A 36 -7.999 4.457 -6.512 1.00 0.00 C ATOM 509 C GLY A 36 -7.330 3.099 -6.577 1.00 0.00 C ATOM 510 O GLY A 36 -7.855 2.115 -6.054 1.00 0.00 O ATOM 0 H GLY A 36 -6.839 5.571 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.806 4.426 -5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.453 4.681 -7.477 1.00 0.00 H new ATOM 514 N ASP A 37 -6.169 3.043 -7.220 1.00 0.00 N ATOM 515 CA ASP A 37 -5.427 1.794 -7.352 1.00 0.00 C ATOM 516 C ASP A 37 -5.562 0.947 -6.090 1.00 0.00 C ATOM 517 O ASP A 37 -5.182 1.375 -5.000 1.00 0.00 O ATOM 518 CB ASP A 37 -3.952 2.080 -7.634 1.00 0.00 C ATOM 519 CG ASP A 37 -3.721 2.600 -9.039 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.590 3.339 -9.549 1.00 0.00 O ATOM 521 OD2 ASP A 37 -2.672 2.269 -9.629 1.00 0.00 O ATOM 0 H ASP A 37 -5.721 3.848 -7.658 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.847 1.236 -8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.583 2.810 -6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.374 1.168 -7.488 1.00 0.00 H new ATOM 526 N ILE A 38 -6.105 -0.256 -6.247 1.00 0.00 N ATOM 527 CA ILE A 38 -6.289 -1.163 -5.121 1.00 0.00 C ATOM 528 C ILE A 38 -5.028 -1.979 -4.860 1.00 0.00 C ATOM 529 O ILE A 38 -4.429 -2.527 -5.786 1.00 0.00 O ATOM 530 CB ILE A 38 -7.469 -2.124 -5.359 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.726 -1.339 -5.739 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.721 -2.970 -4.120 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.224 -0.426 -4.640 1.00 0.00 C ATOM 0 H ILE A 38 -6.425 -0.625 -7.143 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.505 -0.544 -4.250 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.216 -2.789 -6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.518 -0.744 -6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.517 -2.041 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.558 -3.644 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.829 -3.553 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.957 -2.320 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.117 0.098 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.464 -1.018 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.450 0.300 -4.391 1.00 0.00 H new ATOM 545 N ILE A 39 -4.632 -2.057 -3.594 1.00 0.00 N ATOM 546 CA ILE A 39 -3.443 -2.809 -3.211 1.00 0.00 C ATOM 547 C ILE A 39 -3.738 -3.749 -2.047 1.00 0.00 C ATOM 548 O ILE A 39 -4.301 -3.339 -1.031 1.00 0.00 O ATOM 549 CB ILE A 39 -2.286 -1.872 -2.819 1.00 0.00 C ATOM 550 CG1 ILE A 39 -1.898 -0.982 -4.002 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.088 -2.680 -2.342 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.319 0.353 -3.590 1.00 0.00 C ATOM 0 H ILE A 39 -5.117 -1.609 -2.816 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.146 -3.394 -4.081 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.617 -1.233 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.171 -1.509 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.778 -0.811 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.278 -2.003 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.373 -3.275 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.754 -3.341 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.067 0.930 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.052 0.900 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.420 0.192 -2.995 1.00 0.00 H new ATOM 564 N THR A 40 -3.354 -5.012 -2.201 1.00 0.00 N ATOM 565 CA THR A 40 -3.576 -6.010 -1.163 1.00 0.00 C ATOM 566 C THR A 40 -2.388 -6.088 -0.211 1.00 0.00 C ATOM 567 O THR A 40 -1.361 -6.686 -0.533 1.00 0.00 O ATOM 568 CB THR A 40 -3.827 -7.404 -1.768 1.00 0.00 C ATOM 569 OG1 THR A 40 -4.889 -7.338 -2.727 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.179 -8.410 -0.683 1.00 0.00 C ATOM 0 H THR A 40 -2.887 -5.368 -3.035 1.00 0.00 H new ATOM 0 HA THR A 40 -4.461 -5.698 -0.609 1.00 0.00 H new ATOM 0 HB THR A 40 -2.912 -7.731 -2.261 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.041 -8.228 -3.108 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.352 -9.387 -1.135 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.357 -8.480 0.029 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.081 -8.085 -0.165 1.00 0.00 H new ATOM 578 N VAL A 41 -2.534 -5.481 0.962 1.00 0.00 N ATOM 579 CA VAL A 41 -1.473 -5.484 1.962 1.00 0.00 C ATOM 580 C VAL A 41 -1.511 -6.756 2.801 1.00 0.00 C ATOM 581 O VAL A 41 -2.571 -7.352 2.996 1.00 0.00 O ATOM 582 CB VAL A 41 -1.578 -4.263 2.895 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.567 -2.973 2.090 1.00 0.00 C ATOM 584 CG2 VAL A 41 -2.830 -4.356 3.754 1.00 0.00 C ATOM 0 H VAL A 41 -3.377 -4.981 1.243 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.528 -5.438 1.421 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.711 -4.257 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.642 -2.121 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.638 -2.906 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.413 -2.966 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.889 -3.485 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.710 -4.388 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.790 -5.262 4.359 1.00 0.00 H new ATOM 594 N PHE A 42 -0.348 -7.168 3.295 1.00 0.00 N ATOM 595 CA PHE A 42 -0.248 -8.370 4.114 1.00 0.00 C ATOM 596 C PHE A 42 0.473 -8.077 5.426 1.00 0.00 C ATOM 597 O PHE A 42 1.558 -7.498 5.435 1.00 0.00 O ATOM 598 CB PHE A 42 0.488 -9.473 3.350 1.00 0.00 C ATOM 599 CG PHE A 42 -0.112 -9.776 2.007 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.195 -10.633 1.895 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.406 -9.203 0.857 1.00 0.00 C ATOM 602 CE1 PHE A 42 -1.749 -10.913 0.660 1.00 0.00 C ATOM 603 CE2 PHE A 42 -0.144 -9.479 -0.381 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.224 -10.335 -0.479 1.00 0.00 C ATOM 0 H PHE A 42 0.538 -6.687 3.142 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.259 -8.708 4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.529 -9.178 3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.489 -10.382 3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.611 -11.087 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.250 -8.533 0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.592 -11.584 0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.270 -9.026 -1.270 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.657 -10.552 -1.444 1.00 0.00 H new ATOM 614 N GLY A 43 -0.140 -8.481 6.535 1.00 0.00 N ATOM 615 CA GLY A 43 0.456 -8.252 7.838 1.00 0.00 C ATOM 616 C GLY A 43 0.188 -6.855 8.361 1.00 0.00 C ATOM 617 O GLY A 43 -0.512 -6.071 7.722 1.00 0.00 O ATOM 0 H GLY A 43 -1.039 -8.963 6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.065 -8.983 8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.532 -8.413 7.775 1.00 0.00 H new ATOM 621 N GLU A 44 0.744 -6.545 9.528 1.00 0.00 N ATOM 622 CA GLU A 44 0.558 -5.233 10.138 1.00 0.00 C ATOM 623 C GLU A 44 1.644 -4.263 9.683 1.00 0.00 C ATOM 624 O GLU A 44 2.607 -4.657 9.024 1.00 0.00 O ATOM 625 CB GLU A 44 0.567 -5.349 11.663 1.00 0.00 C ATOM 626 CG GLU A 44 1.935 -5.674 12.240 1.00 0.00 C ATOM 627 CD GLU A 44 1.892 -5.928 13.735 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.463 -7.030 14.136 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.287 -5.026 14.502 1.00 0.00 O ATOM 0 H GLU A 44 1.326 -7.184 10.070 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.409 -4.845 9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.214 -4.411 12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.139 -6.123 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.338 -6.553 11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.617 -4.849 12.035 1.00 0.00 H new ATOM 636 N ILE A 45 1.483 -2.994 10.041 1.00 0.00 N ATOM 637 CA ILE A 45 2.450 -1.968 9.671 1.00 0.00 C ATOM 638 C ILE A 45 3.844 -2.316 10.181 1.00 0.00 C ATOM 639 O ILE A 45 4.043 -2.531 11.377 1.00 0.00 O ATOM 640 CB ILE A 45 2.044 -0.587 10.222 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.719 -0.137 9.604 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.138 0.434 9.947 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.225 1.190 10.136 1.00 0.00 C ATOM 0 H ILE A 45 0.692 -2.652 10.587 1.00 0.00 H new ATOM 0 HA ILE A 45 2.464 -1.926 8.582 1.00 0.00 H new ATOM 0 HB ILE A 45 1.911 -0.666 11.301 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.837 -0.065 8.523 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.038 -0.899 9.791 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.837 1.405 10.342 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.062 0.116 10.430 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.299 0.514 8.872 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.718 1.447 9.654 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.074 1.117 11.213 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.963 1.964 9.925 1.00 0.00 H new ATOM 655 N ASP A 46 4.806 -2.369 9.266 1.00 0.00 N ATOM 656 CA ASP A 46 6.183 -2.689 9.623 1.00 0.00 C ATOM 657 C ASP A 46 6.685 -1.770 10.733 1.00 0.00 C ATOM 658 O ASP A 46 5.964 -0.884 11.190 1.00 0.00 O ATOM 659 CB ASP A 46 7.091 -2.571 8.398 1.00 0.00 C ATOM 660 CG ASP A 46 6.577 -3.373 7.218 1.00 0.00 C ATOM 661 OD1 ASP A 46 6.687 -4.616 7.253 1.00 0.00 O ATOM 662 OD2 ASP A 46 6.066 -2.757 6.259 1.00 0.00 O ATOM 0 H ASP A 46 4.657 -2.195 8.272 1.00 0.00 H new ATOM 0 HA ASP A 46 6.208 -3.716 9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.176 -1.523 8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.093 -2.913 8.657 1.00 0.00 H new ATOM 667 N GLU A 47 7.924 -1.989 11.161 1.00 0.00 N ATOM 668 CA GLU A 47 8.520 -1.181 12.219 1.00 0.00 C ATOM 669 C GLU A 47 8.597 0.286 11.805 1.00 0.00 C ATOM 670 O GLU A 47 8.298 1.181 12.595 1.00 0.00 O ATOM 671 CB GLU A 47 9.918 -1.700 12.561 1.00 0.00 C ATOM 672 CG GLU A 47 9.912 -3.049 13.260 1.00 0.00 C ATOM 673 CD GLU A 47 11.201 -3.323 14.010 1.00 0.00 C ATOM 674 OE1 GLU A 47 12.277 -2.955 13.493 1.00 0.00 O ATOM 675 OE2 GLU A 47 11.134 -3.904 15.113 1.00 0.00 O ATOM 0 H GLU A 47 8.534 -2.718 10.792 1.00 0.00 H new ATOM 0 HA GLU A 47 7.885 -1.259 13.102 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.502 -1.778 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.421 -0.972 13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.075 -3.089 13.957 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.751 -3.835 12.523 1.00 0.00 H new ATOM 682 N ASP A 48 9.000 0.523 10.562 1.00 0.00 N ATOM 683 CA ASP A 48 9.117 1.880 10.041 1.00 0.00 C ATOM 684 C ASP A 48 7.757 2.571 10.015 1.00 0.00 C ATOM 685 O ASP A 48 7.549 3.580 10.687 1.00 0.00 O ATOM 686 CB ASP A 48 9.720 1.861 8.636 1.00 0.00 C ATOM 687 CG ASP A 48 11.234 1.923 8.654 1.00 0.00 C ATOM 688 OD1 ASP A 48 11.787 2.662 9.496 1.00 0.00 O ATOM 689 OD2 ASP A 48 11.866 1.233 7.828 1.00 0.00 O ATOM 0 H ASP A 48 9.251 -0.207 9.896 1.00 0.00 H new ATOM 0 HA ASP A 48 9.777 2.441 10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.403 0.955 8.120 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.332 2.705 8.066 1.00 0.00 H new ATOM 694 N GLY A 49 6.833 2.019 9.234 1.00 0.00 N ATOM 695 CA GLY A 49 5.505 2.596 9.134 1.00 0.00 C ATOM 696 C GLY A 49 4.902 2.427 7.753 1.00 0.00 C ATOM 697 O GLY A 49 4.227 3.325 7.249 1.00 0.00 O ATOM 0 H GLY A 49 6.981 1.183 8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.853 2.129 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.554 3.657 9.378 1.00 0.00 H new ATOM 701 N PHE A 50 5.147 1.274 7.139 1.00 0.00 N ATOM 702 CA PHE A 50 4.625 0.992 5.807 1.00 0.00 C ATOM 703 C PHE A 50 3.965 -0.383 5.762 1.00 0.00 C ATOM 704 O PHE A 50 4.091 -1.176 6.696 1.00 0.00 O ATOM 705 CB PHE A 50 5.748 1.064 4.771 1.00 0.00 C ATOM 706 CG PHE A 50 6.321 2.443 4.603 1.00 0.00 C ATOM 707 CD1 PHE A 50 7.169 2.976 5.559 1.00 0.00 C ATOM 708 CD2 PHE A 50 6.010 3.205 3.488 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.698 4.244 5.408 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.536 4.474 3.331 1.00 0.00 C ATOM 711 CZ PHE A 50 7.380 4.994 4.293 1.00 0.00 C ATOM 0 H PHE A 50 5.703 0.520 7.542 1.00 0.00 H new ATOM 0 HA PHE A 50 3.873 1.745 5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.546 0.381 5.063 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.368 0.718 3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.420 2.394 6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.350 2.803 2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.359 4.648 6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.287 5.058 2.457 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.791 5.986 4.173 1.00 0.00 H new ATOM 721 N TYR A 51 3.259 -0.658 4.671 1.00 0.00 N ATOM 722 CA TYR A 51 2.576 -1.935 4.504 1.00 0.00 C ATOM 723 C TYR A 51 3.189 -2.736 3.359 1.00 0.00 C ATOM 724 O TYR A 51 3.753 -2.170 2.423 1.00 0.00 O ATOM 725 CB TYR A 51 1.086 -1.710 4.243 1.00 0.00 C ATOM 726 CG TYR A 51 0.252 -1.652 5.503 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.422 -2.589 6.515 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.706 -0.662 5.682 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.338 -2.542 7.668 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.469 -0.606 6.832 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.282 -1.548 7.822 1.00 0.00 C ATOM 732 OH TYR A 51 -2.041 -1.496 8.968 1.00 0.00 O ATOM 0 H TYR A 51 3.145 -0.013 3.889 1.00 0.00 H new ATOM 0 HA TYR A 51 2.695 -2.504 5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.959 -0.779 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.712 -2.512 3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.161 -3.368 6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.857 0.077 4.909 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.194 -3.279 8.444 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.208 0.172 6.955 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.657 -0.735 8.918 1.00 0.00 H new ATOM 742 N TYR A 52 3.073 -4.057 3.442 1.00 0.00 N ATOM 743 CA TYR A 52 3.616 -4.937 2.414 1.00 0.00 C ATOM 744 C TYR A 52 2.497 -5.624 1.637 1.00 0.00 C ATOM 745 O TYR A 52 1.951 -6.635 2.076 1.00 0.00 O ATOM 746 CB TYR A 52 4.533 -5.987 3.046 1.00 0.00 C ATOM 747 CG TYR A 52 5.664 -6.424 2.143 1.00 0.00 C ATOM 748 CD1 TYR A 52 5.429 -6.769 0.818 1.00 0.00 C ATOM 749 CD2 TYR A 52 6.969 -6.491 2.616 1.00 0.00 C ATOM 750 CE1 TYR A 52 6.460 -7.170 -0.009 1.00 0.00 C ATOM 751 CE2 TYR A 52 8.007 -6.889 1.795 1.00 0.00 C ATOM 752 CZ TYR A 52 7.747 -7.228 0.483 1.00 0.00 C ATOM 753 OH TYR A 52 8.777 -7.625 -0.338 1.00 0.00 O ATOM 0 H TYR A 52 2.608 -4.541 4.210 1.00 0.00 H new ATOM 0 HA TYR A 52 4.195 -4.329 1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.951 -5.584 3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.939 -6.859 3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.423 -6.723 0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.176 -6.228 3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.259 -7.437 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.016 -6.934 2.178 1.00 0.00 H new ATOM 0 HH TYR A 52 9.619 -7.610 0.163 1.00 0.00 H new ATOM 763 N GLY A 53 2.162 -5.065 0.478 1.00 0.00 N ATOM 764 CA GLY A 53 1.110 -5.636 -0.343 1.00 0.00 C ATOM 765 C GLY A 53 1.573 -5.930 -1.756 1.00 0.00 C ATOM 766 O GLY A 53 2.760 -5.819 -2.062 1.00 0.00 O ATOM 0 H GLY A 53 2.600 -4.228 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.753 -6.557 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.265 -4.948 -0.376 1.00 0.00 H new ATOM 770 N GLU A 54 0.634 -6.307 -2.618 1.00 0.00 N ATOM 771 CA GLU A 54 0.954 -6.620 -4.006 1.00 0.00 C ATOM 772 C GLU A 54 0.081 -5.812 -4.962 1.00 0.00 C ATOM 773 O GLU A 54 -1.118 -5.646 -4.735 1.00 0.00 O ATOM 774 CB GLU A 54 0.769 -8.116 -4.271 1.00 0.00 C ATOM 775 CG GLU A 54 1.548 -8.622 -5.473 1.00 0.00 C ATOM 776 CD GLU A 54 1.071 -9.981 -5.947 1.00 0.00 C ATOM 777 OE1 GLU A 54 0.718 -10.818 -5.089 1.00 0.00 O ATOM 778 OE2 GLU A 54 1.050 -10.209 -7.175 1.00 0.00 O ATOM 0 H GLU A 54 -0.353 -6.403 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 54 1.996 -6.353 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.078 -8.674 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.291 -8.321 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.457 -7.904 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.606 -8.681 -5.217 1.00 0.00 H new ATOM 785 N LEU A 55 0.691 -5.311 -6.030 1.00 0.00 N ATOM 786 CA LEU A 55 -0.030 -4.519 -7.021 1.00 0.00 C ATOM 787 C LEU A 55 0.379 -4.915 -8.436 1.00 0.00 C ATOM 788 O LEU A 55 1.548 -5.191 -8.701 1.00 0.00 O ATOM 789 CB LEU A 55 0.232 -3.028 -6.800 1.00 0.00 C ATOM 790 CG LEU A 55 -0.212 -2.095 -7.927 1.00 0.00 C ATOM 791 CD1 LEU A 55 -1.725 -2.118 -8.074 1.00 0.00 C ATOM 792 CD2 LEU A 55 0.280 -0.678 -7.670 1.00 0.00 C ATOM 0 H LEU A 55 1.683 -5.439 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.096 -4.716 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.272 -2.723 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.301 -2.887 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 55 0.228 -2.447 -8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.022 -1.448 -8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.053 -3.132 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.186 -1.791 -7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.045 -0.027 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.131 -0.315 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.369 -0.675 -7.616 1.00 0.00 H new ATOM 804 N ASN A 56 -0.593 -4.938 -9.343 1.00 0.00 N ATOM 805 CA ASN A 56 -0.334 -5.298 -10.732 1.00 0.00 C ATOM 806 C ASN A 56 0.712 -6.406 -10.821 1.00 0.00 C ATOM 807 O ASN A 56 1.565 -6.399 -11.707 1.00 0.00 O ATOM 808 CB ASN A 56 0.136 -4.073 -11.519 1.00 0.00 C ATOM 809 CG ASN A 56 -0.915 -2.982 -11.573 1.00 0.00 C ATOM 810 OD1 ASN A 56 -0.584 -1.815 -11.033 1.00 0.00 O flip ATOM 811 ND2 ASN A 56 -2.012 -3.186 -12.093 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.567 -4.712 -9.141 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.264 -5.665 -11.166 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.043 -3.677 -11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.395 -4.374 -12.534 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.224 -4.099 -12.496 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.709 -2.442 -12.121 1.00 0.00 H new ATOM 818 N GLY A 57 0.638 -7.358 -9.895 1.00 0.00 N ATOM 819 CA GLY A 57 1.583 -8.459 -9.887 1.00 0.00 C ATOM 820 C GLY A 57 2.964 -8.034 -9.429 1.00 0.00 C ATOM 821 O GLY A 57 3.972 -8.506 -9.956 1.00 0.00 O ATOM 0 H GLY A 57 -0.059 -7.386 -9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.213 -9.247 -9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.650 -8.883 -10.889 1.00 0.00 H new ATOM 825 N GLN A 58 3.012 -7.139 -8.448 1.00 0.00 N ATOM 826 CA GLN A 58 4.281 -6.650 -7.922 1.00 0.00 C ATOM 827 C GLN A 58 4.227 -6.521 -6.403 1.00 0.00 C ATOM 828 O GLN A 58 3.409 -5.777 -5.860 1.00 0.00 O ATOM 829 CB GLN A 58 4.629 -5.298 -8.548 1.00 0.00 C ATOM 830 CG GLN A 58 5.311 -5.413 -9.902 1.00 0.00 C ATOM 831 CD GLN A 58 6.165 -4.204 -10.229 1.00 0.00 C ATOM 832 OE1 GLN A 58 5.906 -3.099 -9.750 1.00 0.00 O ATOM 833 NE2 GLN A 58 7.189 -4.406 -11.049 1.00 0.00 N ATOM 0 H GLN A 58 2.187 -6.738 -8.001 1.00 0.00 H new ATOM 0 HA GLN A 58 5.055 -7.373 -8.180 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.716 -4.712 -8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.280 -4.749 -7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.934 -6.308 -9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.554 -5.539 -10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.367 -5.338 -11.423 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.798 -3.629 -11.305 1.00 0.00 H new ATOM 842 N LYS A 59 5.103 -7.250 -5.721 1.00 0.00 N ATOM 843 CA LYS A 59 5.158 -7.218 -4.264 1.00 0.00 C ATOM 844 C LYS A 59 6.157 -6.172 -3.780 1.00 0.00 C ATOM 845 O LYS A 59 7.333 -6.211 -4.136 1.00 0.00 O ATOM 846 CB LYS A 59 5.539 -8.595 -3.717 1.00 0.00 C ATOM 847 CG LYS A 59 4.428 -9.624 -3.829 1.00 0.00 C ATOM 848 CD LYS A 59 4.717 -10.852 -2.983 1.00 0.00 C ATOM 849 CE LYS A 59 4.214 -10.679 -1.558 1.00 0.00 C ATOM 850 NZ LYS A 59 2.792 -11.101 -1.417 1.00 0.00 N ATOM 0 H LYS A 59 5.786 -7.871 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 59 4.169 -6.948 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.415 -8.959 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.825 -8.494 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.485 -9.178 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.308 -9.919 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.244 -11.725 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.790 -11.042 -2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.835 -11.264 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.314 -9.635 -1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.227 -10.304 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.425 -11.399 -2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.730 -11.895 -0.748 1.00 0.00 H new ATOM 864 N GLY A 60 5.679 -5.237 -2.964 1.00 0.00 N ATOM 865 CA GLY A 60 6.544 -4.194 -2.444 1.00 0.00 C ATOM 866 C GLY A 60 5.988 -3.552 -1.188 1.00 0.00 C ATOM 867 O GLY A 60 5.266 -4.192 -0.422 1.00 0.00 O ATOM 0 H GLY A 60 4.709 -5.183 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.526 -4.615 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.685 -3.429 -3.208 1.00 0.00 H new ATOM 871 N LEU A 61 6.324 -2.285 -0.975 1.00 0.00 N ATOM 872 CA LEU A 61 5.854 -1.555 0.197 1.00 0.00 C ATOM 873 C LEU A 61 4.856 -0.472 -0.199 1.00 0.00 C ATOM 874 O LEU A 61 4.899 0.049 -1.314 1.00 0.00 O ATOM 875 CB LEU A 61 7.035 -0.929 0.940 1.00 0.00 C ATOM 876 CG LEU A 61 7.978 -1.905 1.645 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.278 -1.212 2.023 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.309 -2.497 2.877 1.00 0.00 C ATOM 0 H LEU A 61 6.920 -1.741 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 61 5.351 -2.262 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.617 -0.343 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.644 -0.233 1.682 1.00 0.00 H new ATOM 0 HG LEU A 61 8.210 -2.718 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.937 -1.922 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.766 -0.837 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.065 -0.380 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.994 -3.189 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.047 -1.696 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.406 -3.030 2.580 1.00 0.00 H new ATOM 890 N VAL A 62 3.958 -0.135 0.722 1.00 0.00 N ATOM 891 CA VAL A 62 2.952 0.889 0.470 1.00 0.00 C ATOM 892 C VAL A 62 2.591 1.632 1.751 1.00 0.00 C ATOM 893 O VAL A 62 2.279 1.032 2.780 1.00 0.00 O ATOM 894 CB VAL A 62 1.672 0.281 -0.136 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.913 -0.144 -1.576 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.193 -0.894 0.703 1.00 0.00 C ATOM 0 H VAL A 62 3.907 -0.557 1.649 1.00 0.00 H new ATOM 0 HA VAL A 62 3.386 1.590 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 62 0.892 1.042 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.998 -0.571 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.206 0.724 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.707 -0.890 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.288 -1.312 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.969 -1.659 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.978 -0.554 1.716 1.00 0.00 H new ATOM 906 N PRO A 63 2.633 2.971 1.690 1.00 0.00 N ATOM 907 CA PRO A 63 2.313 3.826 2.837 1.00 0.00 C ATOM 908 C PRO A 63 0.830 3.792 3.190 1.00 0.00 C ATOM 909 O PRO A 63 -0.016 4.202 2.396 1.00 0.00 O ATOM 910 CB PRO A 63 2.717 5.224 2.361 1.00 0.00 C ATOM 911 CG PRO A 63 2.623 5.160 0.876 1.00 0.00 C ATOM 912 CD PRO A 63 2.997 3.754 0.497 1.00 0.00 C ATOM 0 HA PRO A 63 2.828 3.503 3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.054 5.988 2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.727 5.475 2.683 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.615 5.400 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.295 5.881 0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.453 3.418 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.059 3.668 0.269 1.00 0.00 H new ATOM 920 N SER A 64 0.522 3.299 4.386 1.00 0.00 N ATOM 921 CA SER A 64 -0.860 3.208 4.842 1.00 0.00 C ATOM 922 C SER A 64 -1.574 4.546 4.681 1.00 0.00 C ATOM 923 O SER A 64 -2.743 4.596 4.299 1.00 0.00 O ATOM 924 CB SER A 64 -0.907 2.764 6.305 1.00 0.00 C ATOM 925 OG SER A 64 -2.212 2.906 6.839 1.00 0.00 O ATOM 0 H SER A 64 1.211 2.957 5.056 1.00 0.00 H new ATOM 0 HA SER A 64 -1.372 2.467 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.590 1.724 6.383 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.204 3.356 6.891 1.00 0.00 H new ATOM 0 HG SER A 64 -2.216 2.614 7.775 1.00 0.00 H new ATOM 931 N ASN A 65 -0.863 5.629 4.976 1.00 0.00 N ATOM 932 CA ASN A 65 -1.428 6.969 4.865 1.00 0.00 C ATOM 933 C ASN A 65 -2.046 7.187 3.487 1.00 0.00 C ATOM 934 O ASN A 65 -2.916 8.040 3.312 1.00 0.00 O ATOM 935 CB ASN A 65 -0.350 8.023 5.126 1.00 0.00 C ATOM 936 CG ASN A 65 -0.146 8.288 6.605 1.00 0.00 C ATOM 937 OD1 ASN A 65 -0.564 7.498 7.452 1.00 0.00 O ATOM 938 ND2 ASN A 65 0.500 9.404 6.922 1.00 0.00 N ATOM 0 H ASN A 65 0.106 5.605 5.294 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.213 7.068 5.615 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.591 7.693 4.686 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.626 8.952 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.668 9.636 7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.829 10.030 6.186 1.00 0.00 H new ATOM 945 N PHE A 66 -1.589 6.409 2.511 1.00 0.00 N ATOM 946 CA PHE A 66 -2.096 6.516 1.148 1.00 0.00 C ATOM 947 C PHE A 66 -2.990 5.328 0.805 1.00 0.00 C ATOM 948 O PHE A 66 -3.078 4.915 -0.353 1.00 0.00 O ATOM 949 CB PHE A 66 -0.935 6.598 0.155 1.00 0.00 C ATOM 950 CG PHE A 66 -0.040 7.784 0.376 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.633 7.946 1.576 1.00 0.00 C ATOM 952 CD2 PHE A 66 0.127 8.737 -0.616 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.458 9.036 1.782 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.951 9.828 -0.416 1.00 0.00 C ATOM 955 CZ PHE A 66 1.616 9.979 0.786 1.00 0.00 C ATOM 0 H PHE A 66 -0.869 5.698 2.639 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.690 7.427 1.079 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.341 5.687 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.336 6.639 -0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.512 7.213 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.393 8.626 -1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.979 9.150 2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.075 10.562 -1.198 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.258 10.833 0.946 1.00 0.00 H new ATOM 965 N LEU A 67 -3.652 4.781 1.819 1.00 0.00 N ATOM 966 CA LEU A 67 -4.540 3.640 1.626 1.00 0.00 C ATOM 967 C LEU A 67 -5.709 3.688 2.605 1.00 0.00 C ATOM 968 O LEU A 67 -5.660 4.396 3.610 1.00 0.00 O ATOM 969 CB LEU A 67 -3.766 2.332 1.802 1.00 0.00 C ATOM 970 CG LEU A 67 -2.359 2.300 1.205 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.607 1.065 1.679 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.422 2.338 -0.315 1.00 0.00 C ATOM 0 H LEU A 67 -3.591 5.109 2.783 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.937 3.687 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.692 2.118 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.347 1.526 1.355 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.820 3.183 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.607 1.058 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.530 1.081 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.144 0.170 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.411 2.315 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.979 1.474 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.921 3.252 -0.636 1.00 0.00 H new ATOM 984 N GLU A 68 -6.757 2.927 2.305 1.00 0.00 N ATOM 985 CA GLU A 68 -7.937 2.883 3.160 1.00 0.00 C ATOM 986 C GLU A 68 -8.688 1.566 2.984 1.00 0.00 C ATOM 987 O GLU A 68 -9.135 1.238 1.886 1.00 0.00 O ATOM 988 CB GLU A 68 -8.866 4.058 2.847 1.00 0.00 C ATOM 989 CG GLU A 68 -10.150 4.052 3.659 1.00 0.00 C ATOM 990 CD GLU A 68 -9.932 4.474 5.099 1.00 0.00 C ATOM 991 OE1 GLU A 68 -8.836 4.210 5.635 1.00 0.00 O ATOM 992 OE2 GLU A 68 -10.858 5.068 5.690 1.00 0.00 O ATOM 0 H GLU A 68 -6.813 2.333 1.477 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.606 2.957 4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.333 4.991 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.117 4.039 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.873 4.722 3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.583 3.052 3.639 1.00 0.00 H new ATOM 999 N GLU A 69 -8.821 0.817 4.074 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.515 -0.465 4.039 1.00 0.00 C ATOM 1001 C GLU A 69 -10.765 -0.383 3.166 1.00 0.00 C ATOM 1002 O GLU A 69 -11.686 0.383 3.452 1.00 0.00 O ATOM 1003 CB GLU A 69 -9.897 -0.902 5.455 1.00 0.00 C ATOM 1004 CG GLU A 69 -10.433 -2.322 5.529 1.00 0.00 C ATOM 1005 CD GLU A 69 -11.098 -2.625 6.858 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -11.880 -1.777 7.336 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -10.837 -3.710 7.419 1.00 0.00 O ATOM 0 H GLU A 69 -8.458 1.076 4.991 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.839 -1.204 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.023 -0.818 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.649 -0.218 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.151 -2.478 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.615 -3.024 5.368 1.00 0.00 H new ATOM 1014 N VAL A 70 -10.789 -1.177 2.101 1.00 0.00 N ATOM 1015 CA VAL A 70 -11.924 -1.195 1.186 1.00 0.00 C ATOM 1016 C VAL A 70 -13.210 -1.570 1.914 1.00 0.00 C ATOM 1017 O VAL A 70 -13.183 -2.289 2.913 1.00 0.00 O ATOM 1018 CB VAL A 70 -11.695 -2.185 0.028 1.00 0.00 C ATOM 1019 CG1 VAL A 70 -12.991 -2.427 -0.731 1.00 0.00 C ATOM 1020 CG2 VAL A 70 -10.610 -1.670 -0.906 1.00 0.00 C ATOM 0 H VAL A 70 -10.035 -1.817 1.850 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.020 -0.188 0.780 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.363 -3.135 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.810 -3.129 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.737 -2.842 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.355 -1.484 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.461 -2.382 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.912 -0.707 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.679 -1.552 -0.352 1.00 0.00 H new ATOM 1030 N SER A 71 -14.336 -1.079 1.406 1.00 0.00 N ATOM 1031 CA SER A 71 -15.633 -1.360 2.010 1.00 0.00 C ATOM 1032 C SER A 71 -15.692 -0.833 3.440 1.00 0.00 C ATOM 1033 O SER A 71 -15.997 -1.574 4.374 1.00 0.00 O ATOM 1034 CB SER A 71 -15.911 -2.864 1.996 1.00 0.00 C ATOM 1035 OG SER A 71 -16.349 -3.290 0.717 1.00 0.00 O ATOM 0 H SER A 71 -14.376 -0.485 0.578 1.00 0.00 H new ATOM 0 HA SER A 71 -16.397 -0.852 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.007 -3.407 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.669 -3.104 2.742 1.00 0.00 H new ATOM 0 HG SER A 71 -16.518 -4.255 0.734 1.00 0.00 H new ATOM 1041 N GLY A 72 -15.397 0.453 3.604 1.00 0.00 N ATOM 1042 CA GLY A 72 -15.421 1.058 4.923 1.00 0.00 C ATOM 1043 C GLY A 72 -16.250 2.326 4.964 1.00 0.00 C ATOM 1044 O GLY A 72 -17.105 2.562 4.110 1.00 0.00 O ATOM 0 H GLY A 72 -15.142 1.087 2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -15.822 0.342 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.401 1.284 5.234 1.00 0.00 H new ATOM 1048 N PRO A 73 -15.999 3.169 5.977 1.00 0.00 N ATOM 1049 CA PRO A 73 -16.719 4.434 6.151 1.00 0.00 C ATOM 1050 C PRO A 73 -16.358 5.458 5.081 1.00 0.00 C ATOM 1051 O PRO A 73 -17.082 6.431 4.870 1.00 0.00 O ATOM 1052 CB PRO A 73 -16.261 4.916 7.529 1.00 0.00 C ATOM 1053 CG PRO A 73 -14.928 4.282 7.729 1.00 0.00 C ATOM 1054 CD PRO A 73 -14.994 2.952 7.031 1.00 0.00 C ATOM 0 HA PRO A 73 -17.798 4.304 6.067 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -16.192 6.003 7.565 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.963 4.615 8.307 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.134 4.902 7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.711 4.156 8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.028 2.669 6.613 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.292 2.155 7.712 1.00 0.00 H new ATOM 1062 N SER A 74 -15.235 5.232 4.407 1.00 0.00 N ATOM 1063 CA SER A 74 -14.776 6.138 3.360 1.00 0.00 C ATOM 1064 C SER A 74 -15.525 5.884 2.055 1.00 0.00 C ATOM 1065 O SER A 74 -16.296 4.931 1.945 1.00 0.00 O ATOM 1066 CB SER A 74 -13.271 5.974 3.138 1.00 0.00 C ATOM 1067 OG SER A 74 -12.983 4.755 2.476 1.00 0.00 O ATOM 0 H SER A 74 -14.626 4.429 4.567 1.00 0.00 H new ATOM 0 HA SER A 74 -14.979 7.159 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.894 6.810 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.754 6.002 4.097 1.00 0.00 H new ATOM 0 HG SER A 74 -12.357 4.922 1.741 1.00 0.00 H new ATOM 1073 N SER A 75 -15.291 6.744 1.069 1.00 0.00 N ATOM 1074 CA SER A 75 -15.946 6.616 -0.228 1.00 0.00 C ATOM 1075 C SER A 75 -14.946 6.816 -1.363 1.00 0.00 C ATOM 1076 O SER A 75 -14.316 7.867 -1.472 1.00 0.00 O ATOM 1077 CB SER A 75 -17.084 7.630 -0.351 1.00 0.00 C ATOM 1078 OG SER A 75 -18.259 7.158 0.286 1.00 0.00 O ATOM 0 H SER A 75 -14.653 7.537 1.143 1.00 0.00 H new ATOM 0 HA SER A 75 -16.357 5.609 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 75 -16.781 8.577 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 75 -17.290 7.824 -1.404 1.00 0.00 H new ATOM 0 HG SER A 75 -18.971 7.825 0.195 1.00 0.00 H new ATOM 1084 N GLY A 76 -14.806 5.798 -2.207 1.00 0.00 N ATOM 1085 CA GLY A 76 -13.882 5.881 -3.323 1.00 0.00 C ATOM 1086 C GLY A 76 -14.000 4.697 -4.262 1.00 0.00 C ATOM 1087 O GLY A 76 -13.479 3.618 -3.980 1.00 0.00 O ATOM 0 H GLY A 76 -15.316 4.917 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.068 6.801 -3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.862 5.939 -2.943 1.00 0.00 H new TER 1091 GLY A 76