USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 748 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 55 ASN : amide:sc= -3.18! C(o=-14!,f=-17!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -9.21! C(o=-14!,f=-10!) USER MOD Set 1.3: A 61 TYR OH : rot -7:sc= -1.57! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 43:sc= -0.375 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0602 K(o=-0.06,f=-1.6!) USER MOD Single : A 20 SER OG : rot 116:sc= -0.499 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.5!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0944 USER MOD Single : A 28 ASN : amide:sc= -0.0479 X(o=-0.048,f=-0.048) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0613 X(o=-0.061,f=-0.24) USER MOD Single : A 35 THR OG1 : rot -127:sc= 0.267 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.907 K(o=-0.91,f=-5.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.449 K(o=-0.45,f=-2.4!) USER MOD Single : A 54 HIS : no HD1:sc= -0.013 X(o=-0.013,f=-0.15) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 46:sc= 0.273 USER MOD Single : A 81 GLN : amide:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -1.55 K(o=-1.5,f=-9.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.358 20.470 -2.963 1.00 0.00 N ATOM 2 CA ALA A 1 -6.410 21.499 -2.729 1.00 0.00 C ATOM 3 C ALA A 1 -6.941 21.368 -1.301 1.00 0.00 C ATOM 4 O ALA A 1 -6.682 22.197 -0.452 1.00 0.00 O ATOM 5 CB ALA A 1 -7.557 21.292 -3.722 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.996 20.558 -3.934 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.579 20.611 -2.289 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.764 19.522 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.984 22.493 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.327 22.045 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.178 21.385 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.984 20.299 -3.583 1.00 0.00 H new ATOM 13 N GLU A 2 -7.680 20.327 -1.028 1.00 0.00 N ATOM 14 CA GLU A 2 -8.225 20.140 0.347 1.00 0.00 C ATOM 15 C GLU A 2 -7.915 18.722 0.827 1.00 0.00 C ATOM 16 O GLU A 2 -7.281 17.947 0.138 1.00 0.00 O ATOM 17 CB GLU A 2 -9.740 20.346 0.331 1.00 0.00 C ATOM 18 CG GLU A 2 -10.395 19.262 -0.528 1.00 0.00 C ATOM 19 CD GLU A 2 -11.569 18.646 0.235 1.00 0.00 C ATOM 20 OE1 GLU A 2 -12.640 19.229 0.205 1.00 0.00 O ATOM 21 OE2 GLU A 2 -11.376 17.603 0.837 1.00 0.00 O ATOM 0 H GLU A 2 -7.930 19.599 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.766 20.865 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.133 20.307 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.979 21.333 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.743 19.689 -1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.666 18.491 -0.778 1.00 0.00 H new ATOM 28 N VAL A 3 -8.357 18.374 2.004 1.00 0.00 N ATOM 29 CA VAL A 3 -8.087 17.006 2.526 1.00 0.00 C ATOM 30 C VAL A 3 -9.328 16.131 2.338 1.00 0.00 C ATOM 31 O VAL A 3 -10.228 16.129 3.154 1.00 0.00 O ATOM 32 CB VAL A 3 -7.743 17.085 4.015 1.00 0.00 C ATOM 33 CG1 VAL A 3 -7.275 15.714 4.503 1.00 0.00 C ATOM 34 CG2 VAL A 3 -6.626 18.110 4.225 1.00 0.00 C ATOM 0 H VAL A 3 -8.893 18.978 2.626 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.249 16.571 1.981 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.626 17.388 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.030 15.770 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.070 14.983 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.391 15.410 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.380 18.168 5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.743 17.806 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.959 19.088 3.876 1.00 0.00 H new ATOM 44 N ARG A 4 -9.382 15.383 1.270 1.00 0.00 N ATOM 45 CA ARG A 4 -10.563 14.505 1.035 1.00 0.00 C ATOM 46 C ARG A 4 -10.713 13.540 2.220 1.00 0.00 C ATOM 47 O ARG A 4 -9.734 13.158 2.832 1.00 0.00 O ATOM 48 CB ARG A 4 -10.359 13.729 -0.269 1.00 0.00 C ATOM 49 CG ARG A 4 -10.183 14.719 -1.423 1.00 0.00 C ATOM 50 CD ARG A 4 -8.867 14.436 -2.150 1.00 0.00 C ATOM 51 NE ARG A 4 -9.130 13.572 -3.334 1.00 0.00 N ATOM 52 CZ ARG A 4 -8.619 12.373 -3.393 1.00 0.00 C ATOM 53 NH1 ARG A 4 -9.184 11.390 -2.747 1.00 0.00 N ATOM 54 NH2 ARG A 4 -7.544 12.157 -4.099 1.00 0.00 N ATOM 0 H ARG A 4 -8.660 15.342 0.551 1.00 0.00 H new ATOM 0 HA ARG A 4 -11.470 15.103 0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -9.483 13.085 -0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.215 13.081 -0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.019 14.635 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -10.187 15.740 -1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.404 15.372 -2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.165 13.944 -1.476 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.710 13.918 -4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.025 11.559 -2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.784 10.453 -2.793 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.103 12.925 -4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.144 11.220 -4.145 1.00 0.00 H new ATOM 68 N PRO A 5 -11.941 13.197 2.525 1.00 0.00 N ATOM 69 CA PRO A 5 -12.265 12.301 3.655 1.00 0.00 C ATOM 70 C PRO A 5 -11.888 10.817 3.422 1.00 0.00 C ATOM 71 O PRO A 5 -11.545 10.142 4.373 1.00 0.00 O ATOM 72 CB PRO A 5 -13.774 12.490 3.844 1.00 0.00 C ATOM 73 CG PRO A 5 -14.324 13.052 2.512 1.00 0.00 C ATOM 74 CD PRO A 5 -13.122 13.669 1.767 1.00 0.00 C ATOM 0 HA PRO A 5 -11.682 12.557 4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.254 11.543 4.092 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.978 13.176 4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -14.784 12.262 1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -15.093 13.802 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -13.086 13.340 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -13.178 14.758 1.754 1.00 0.00 H new ATOM 82 N PRO A 6 -11.949 10.328 2.200 1.00 0.00 N ATOM 83 CA PRO A 6 -11.600 8.921 1.918 1.00 0.00 C ATOM 84 C PRO A 6 -10.080 8.734 1.934 1.00 0.00 C ATOM 85 O PRO A 6 -9.346 9.467 1.302 1.00 0.00 O ATOM 86 CB PRO A 6 -12.167 8.677 0.520 1.00 0.00 C ATOM 87 CG PRO A 6 -12.298 10.066 -0.142 1.00 0.00 C ATOM 88 CD PRO A 6 -12.355 11.092 1.005 1.00 0.00 C ATOM 0 HA PRO A 6 -11.999 8.226 2.657 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.508 8.030 -0.060 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.135 8.179 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.451 10.264 -0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.197 10.120 -0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.683 11.931 0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.357 11.506 1.119 1.00 0.00 H new ATOM 96 N PHE A 7 -9.601 7.756 2.657 1.00 0.00 N ATOM 97 CA PHE A 7 -8.130 7.521 2.717 1.00 0.00 C ATOM 98 C PHE A 7 -7.862 6.049 3.041 1.00 0.00 C ATOM 99 O PHE A 7 -6.886 5.714 3.683 1.00 0.00 O ATOM 100 CB PHE A 7 -7.521 8.401 3.811 1.00 0.00 C ATOM 101 CG PHE A 7 -6.562 9.393 3.194 1.00 0.00 C ATOM 102 CD1 PHE A 7 -5.361 8.948 2.629 1.00 0.00 C ATOM 103 CD2 PHE A 7 -6.875 10.758 3.193 1.00 0.00 C ATOM 104 CE1 PHE A 7 -4.472 9.870 2.060 1.00 0.00 C ATOM 105 CE2 PHE A 7 -5.985 11.679 2.625 1.00 0.00 C ATOM 106 CZ PHE A 7 -4.784 11.234 2.060 1.00 0.00 C ATOM 0 H PHE A 7 -10.166 7.110 3.208 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.681 7.769 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.310 8.929 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.999 7.782 4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.120 7.895 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.802 11.100 3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.546 9.528 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.225 12.732 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.097 11.944 1.624 1.00 0.00 H new ATOM 116 N THR A 8 -8.721 5.166 2.606 1.00 0.00 N ATOM 117 CA THR A 8 -8.512 3.718 2.892 1.00 0.00 C ATOM 118 C THR A 8 -7.171 3.270 2.306 1.00 0.00 C ATOM 119 O THR A 8 -7.059 2.988 1.130 1.00 0.00 O ATOM 120 CB THR A 8 -9.645 2.903 2.265 1.00 0.00 C ATOM 121 OG1 THR A 8 -9.936 3.415 0.972 1.00 0.00 O ATOM 122 CG2 THR A 8 -10.890 2.997 3.147 1.00 0.00 C ATOM 0 H THR A 8 -9.558 5.385 2.065 1.00 0.00 H new ATOM 0 HA THR A 8 -8.507 3.558 3.970 1.00 0.00 H new ATOM 0 HB THR A 8 -9.340 1.860 2.181 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.099 3.604 0.499 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.697 2.416 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.665 2.603 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.197 4.039 3.233 1.00 0.00 H new ATOM 130 N TYR A 9 -6.153 3.206 3.118 1.00 0.00 N ATOM 131 CA TYR A 9 -4.817 2.779 2.612 1.00 0.00 C ATOM 132 C TYR A 9 -4.926 1.380 2.002 1.00 0.00 C ATOM 133 O TYR A 9 -4.281 1.068 1.020 1.00 0.00 O ATOM 134 CB TYR A 9 -3.819 2.754 3.770 1.00 0.00 C ATOM 135 CG TYR A 9 -3.816 4.095 4.465 1.00 0.00 C ATOM 136 CD1 TYR A 9 -2.955 5.109 4.030 1.00 0.00 C ATOM 137 CD2 TYR A 9 -4.675 4.323 5.547 1.00 0.00 C ATOM 138 CE1 TYR A 9 -2.952 6.350 4.676 1.00 0.00 C ATOM 139 CE2 TYR A 9 -4.673 5.566 6.193 1.00 0.00 C ATOM 140 CZ TYR A 9 -3.812 6.579 5.758 1.00 0.00 C ATOM 141 OH TYR A 9 -3.809 7.803 6.395 1.00 0.00 O ATOM 0 H TYR A 9 -6.188 3.431 4.112 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.474 3.481 1.852 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.086 1.968 4.476 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.821 2.524 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.293 4.933 3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.339 3.541 5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.287 7.132 4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.336 5.742 7.027 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.465 7.795 7.123 1.00 0.00 H new ATOM 151 N ALA A 10 -5.737 0.535 2.576 1.00 0.00 N ATOM 152 CA ALA A 10 -5.887 -0.844 2.032 1.00 0.00 C ATOM 153 C ALA A 10 -6.347 -0.773 0.574 1.00 0.00 C ATOM 154 O ALA A 10 -5.832 -1.461 -0.284 1.00 0.00 O ATOM 155 CB ALA A 10 -6.925 -1.608 2.855 1.00 0.00 C ATOM 0 H ALA A 10 -6.303 0.740 3.399 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.928 -1.359 2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.034 -2.617 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.598 -1.661 3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.883 -1.091 2.802 1.00 0.00 H new ATOM 161 N SER A 11 -7.314 0.054 0.287 1.00 0.00 N ATOM 162 CA SER A 11 -7.808 0.168 -1.114 1.00 0.00 C ATOM 163 C SER A 11 -6.782 0.929 -1.956 1.00 0.00 C ATOM 164 O SER A 11 -6.560 0.620 -3.110 1.00 0.00 O ATOM 165 CB SER A 11 -9.136 0.924 -1.127 1.00 0.00 C ATOM 166 OG SER A 11 -10.207 -0.011 -1.165 1.00 0.00 O ATOM 0 H SER A 11 -7.784 0.656 0.963 1.00 0.00 H new ATOM 0 HA SER A 11 -7.953 -0.829 -1.529 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.218 1.553 -0.241 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.183 1.585 -1.993 1.00 0.00 H new ATOM 0 HG SER A 11 -11.061 0.470 -1.172 1.00 0.00 H new ATOM 172 N LEU A 12 -6.156 1.923 -1.389 1.00 0.00 N ATOM 173 CA LEU A 12 -5.148 2.704 -2.159 1.00 0.00 C ATOM 174 C LEU A 12 -3.905 1.841 -2.391 1.00 0.00 C ATOM 175 O LEU A 12 -3.456 1.671 -3.507 1.00 0.00 O ATOM 176 CB LEU A 12 -4.763 3.960 -1.373 1.00 0.00 C ATOM 177 CG LEU A 12 -4.736 5.166 -2.314 1.00 0.00 C ATOM 178 CD1 LEU A 12 -6.137 5.406 -2.881 1.00 0.00 C ATOM 179 CD2 LEU A 12 -4.282 6.407 -1.541 1.00 0.00 C ATOM 0 H LEU A 12 -6.299 2.228 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.571 2.997 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.477 4.130 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.786 3.826 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.042 4.971 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.116 6.265 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.462 4.524 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.832 5.600 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.263 7.266 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.976 6.600 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.283 6.239 -1.137 1.00 0.00 H new ATOM 191 N ILE A 13 -3.348 1.290 -1.347 1.00 0.00 N ATOM 192 CA ILE A 13 -2.137 0.437 -1.515 1.00 0.00 C ATOM 193 C ILE A 13 -2.477 -0.739 -2.433 1.00 0.00 C ATOM 194 O ILE A 13 -1.753 -1.046 -3.359 1.00 0.00 O ATOM 195 CB ILE A 13 -1.688 -0.089 -0.150 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.254 1.085 0.730 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.509 -1.047 -0.335 1.00 0.00 C ATOM 198 CD1 ILE A 13 0.065 1.658 0.206 1.00 0.00 C ATOM 0 H ILE A 13 -3.678 1.393 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.331 1.024 -1.955 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.515 -0.616 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.023 1.857 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.134 0.755 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.189 -1.422 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.815 -1.883 -0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.318 -0.519 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.373 2.494 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.833 0.884 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.070 2.004 -0.819 1.00 0.00 H new ATOM 210 N ARG A 14 -3.580 -1.394 -2.189 1.00 0.00 N ATOM 211 CA ARG A 14 -3.973 -2.544 -3.052 1.00 0.00 C ATOM 212 C ARG A 14 -3.982 -2.088 -4.515 1.00 0.00 C ATOM 213 O ARG A 14 -3.620 -2.828 -5.409 1.00 0.00 O ATOM 214 CB ARG A 14 -5.373 -3.021 -2.649 1.00 0.00 C ATOM 215 CG ARG A 14 -5.962 -3.902 -3.753 1.00 0.00 C ATOM 216 CD ARG A 14 -4.985 -5.030 -4.086 1.00 0.00 C ATOM 217 NE ARG A 14 -5.421 -5.712 -5.336 1.00 0.00 N ATOM 218 CZ ARG A 14 -6.656 -6.116 -5.462 1.00 0.00 C ATOM 219 NH1 ARG A 14 -7.074 -7.154 -4.791 1.00 0.00 N ATOM 220 NH2 ARG A 14 -7.472 -5.483 -6.260 1.00 0.00 N ATOM 0 H ARG A 14 -4.226 -1.182 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.264 -3.363 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.321 -3.580 -1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.022 -2.163 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.916 -4.318 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.160 -3.304 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.979 -4.629 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.945 -5.745 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.755 -5.863 -6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.436 -7.649 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.039 -7.470 -4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.145 -4.672 -6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.437 -5.799 -6.358 1.00 0.00 H new ATOM 234 N GLN A 15 -4.394 -0.874 -4.763 1.00 0.00 N ATOM 235 CA GLN A 15 -4.428 -0.365 -6.162 1.00 0.00 C ATOM 236 C GLN A 15 -3.006 -0.312 -6.725 1.00 0.00 C ATOM 237 O GLN A 15 -2.719 -0.867 -7.767 1.00 0.00 O ATOM 238 CB GLN A 15 -5.034 1.040 -6.176 1.00 0.00 C ATOM 239 CG GLN A 15 -5.533 1.369 -7.585 1.00 0.00 C ATOM 240 CD GLN A 15 -5.554 2.887 -7.777 1.00 0.00 C ATOM 241 OE1 GLN A 15 -5.428 3.634 -6.827 1.00 0.00 O ATOM 242 NE2 GLN A 15 -5.712 3.378 -8.976 1.00 0.00 N ATOM 0 H GLN A 15 -4.709 -0.212 -4.054 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.034 -1.031 -6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.858 1.099 -5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.289 1.772 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.885 0.906 -8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.532 0.959 -7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.818 2.751 -9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.730 4.388 -9.115 1.00 0.00 H new ATOM 251 N ALA A 16 -2.115 0.355 -6.045 1.00 0.00 N ATOM 252 CA ALA A 16 -0.713 0.448 -6.542 1.00 0.00 C ATOM 253 C ALA A 16 -0.130 -0.959 -6.697 1.00 0.00 C ATOM 254 O ALA A 16 0.781 -1.183 -7.468 1.00 0.00 O ATOM 255 CB ALA A 16 0.131 1.243 -5.542 1.00 0.00 C ATOM 0 H ALA A 16 -2.297 0.840 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.704 0.952 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.157 1.311 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.283 2.245 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.121 0.739 -4.576 1.00 0.00 H new ATOM 261 N ILE A 17 -0.648 -1.909 -5.968 1.00 0.00 N ATOM 262 CA ILE A 17 -0.125 -3.301 -6.070 1.00 0.00 C ATOM 263 C ILE A 17 -0.550 -3.905 -7.414 1.00 0.00 C ATOM 264 O ILE A 17 0.272 -4.341 -8.194 1.00 0.00 O ATOM 265 CB ILE A 17 -0.681 -4.130 -4.898 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.294 -4.047 -3.722 1.00 0.00 C ATOM 267 CG2 ILE A 17 -0.854 -5.601 -5.301 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.245 -2.644 -3.112 1.00 0.00 C ATOM 0 H ILE A 17 -1.412 -1.781 -5.305 1.00 0.00 H new ATOM 0 HA ILE A 17 0.964 -3.303 -6.019 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.655 -3.728 -4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.035 -4.791 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.306 -4.273 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.248 -6.166 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.548 -5.670 -6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.111 -6.014 -5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.940 -2.587 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.525 -1.909 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.765 -2.435 -2.760 1.00 0.00 H new ATOM 280 N LEU A 18 -1.825 -3.934 -7.689 1.00 0.00 N ATOM 281 CA LEU A 18 -2.287 -4.512 -8.981 1.00 0.00 C ATOM 282 C LEU A 18 -1.521 -3.851 -10.128 1.00 0.00 C ATOM 283 O LEU A 18 -1.320 -4.435 -11.173 1.00 0.00 O ATOM 284 CB LEU A 18 -3.792 -4.269 -9.146 1.00 0.00 C ATOM 285 CG LEU A 18 -4.044 -2.819 -9.564 1.00 0.00 C ATOM 286 CD1 LEU A 18 -4.323 -2.762 -11.066 1.00 0.00 C ATOM 287 CD2 LEU A 18 -5.252 -2.272 -8.802 1.00 0.00 C ATOM 0 H LEU A 18 -2.563 -3.584 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.100 -5.586 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.199 -4.948 -9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.308 -4.481 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.165 -2.217 -9.334 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.503 -1.729 -11.364 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.463 -3.153 -11.611 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.202 -3.364 -11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.432 -1.239 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.131 -2.874 -9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.055 -2.312 -7.731 1.00 0.00 H new ATOM 299 N GLU A 19 -1.088 -2.634 -9.937 1.00 0.00 N ATOM 300 CA GLU A 19 -0.329 -1.936 -11.011 1.00 0.00 C ATOM 301 C GLU A 19 0.962 -2.705 -11.294 1.00 0.00 C ATOM 302 O GLU A 19 1.613 -2.497 -12.299 1.00 0.00 O ATOM 303 CB GLU A 19 0.013 -0.517 -10.554 1.00 0.00 C ATOM 304 CG GLU A 19 0.692 0.235 -11.700 1.00 0.00 C ATOM 305 CD GLU A 19 -0.101 1.503 -12.020 1.00 0.00 C ATOM 306 OE1 GLU A 19 -0.355 2.267 -11.104 1.00 0.00 O ATOM 307 OE2 GLU A 19 -0.442 1.688 -13.178 1.00 0.00 O ATOM 0 H GLU A 19 -1.228 -2.094 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.934 -1.888 -11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.892 0.006 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.671 -0.551 -9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.715 0.493 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.751 -0.402 -12.582 1.00 0.00 H new ATOM 314 N SER A 20 1.337 -3.592 -10.414 1.00 0.00 N ATOM 315 CA SER A 20 2.586 -4.374 -10.628 1.00 0.00 C ATOM 316 C SER A 20 2.266 -5.636 -11.435 1.00 0.00 C ATOM 317 O SER A 20 1.117 -5.918 -11.711 1.00 0.00 O ATOM 318 CB SER A 20 3.180 -4.767 -9.274 1.00 0.00 C ATOM 319 OG SER A 20 2.873 -6.128 -8.998 1.00 0.00 O ATOM 0 H SER A 20 0.831 -3.809 -9.555 1.00 0.00 H new ATOM 0 HA SER A 20 3.306 -3.767 -11.176 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.260 -4.621 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.778 -4.126 -8.489 1.00 0.00 H new ATOM 0 HG SER A 20 3.702 -6.649 -8.959 1.00 0.00 H new ATOM 325 N PRO A 21 3.300 -6.357 -11.789 1.00 0.00 N ATOM 326 CA PRO A 21 3.171 -7.600 -12.565 1.00 0.00 C ATOM 327 C PRO A 21 2.722 -8.749 -11.657 1.00 0.00 C ATOM 328 O PRO A 21 1.892 -9.555 -12.024 1.00 0.00 O ATOM 329 CB PRO A 21 4.587 -7.841 -13.096 1.00 0.00 C ATOM 330 CG PRO A 21 5.543 -7.069 -12.153 1.00 0.00 C ATOM 331 CD PRO A 21 4.691 -5.998 -11.446 1.00 0.00 C ATOM 0 HA PRO A 21 2.430 -7.536 -13.362 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.824 -8.905 -13.103 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.683 -7.486 -14.122 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.999 -7.742 -11.428 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.355 -6.609 -12.716 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.851 -6.010 -10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.941 -4.996 -11.795 1.00 0.00 H new ATOM 339 N GLU A 22 3.265 -8.826 -10.473 1.00 0.00 N ATOM 340 CA GLU A 22 2.873 -9.915 -9.543 1.00 0.00 C ATOM 341 C GLU A 22 2.141 -9.318 -8.338 1.00 0.00 C ATOM 342 O GLU A 22 2.316 -9.754 -7.216 1.00 0.00 O ATOM 343 CB GLU A 22 4.122 -10.658 -9.066 1.00 0.00 C ATOM 344 CG GLU A 22 4.414 -11.825 -10.009 1.00 0.00 C ATOM 345 CD GLU A 22 3.552 -13.026 -9.616 1.00 0.00 C ATOM 346 OE1 GLU A 22 2.414 -13.082 -10.052 1.00 0.00 O ATOM 347 OE2 GLU A 22 4.044 -13.871 -8.887 1.00 0.00 O ATOM 0 H GLU A 22 3.965 -8.178 -10.111 1.00 0.00 H new ATOM 0 HA GLU A 22 2.214 -10.613 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.974 -9.978 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.974 -11.026 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.205 -11.535 -11.039 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.470 -12.090 -9.960 1.00 0.00 H new ATOM 354 N LYS A 23 1.315 -8.332 -8.564 1.00 0.00 N ATOM 355 CA LYS A 23 0.562 -7.707 -7.448 1.00 0.00 C ATOM 356 C LYS A 23 1.476 -7.551 -6.233 1.00 0.00 C ATOM 357 O LYS A 23 1.053 -7.682 -5.103 1.00 0.00 O ATOM 358 CB LYS A 23 -0.635 -8.584 -7.087 1.00 0.00 C ATOM 359 CG LYS A 23 -0.992 -9.509 -8.255 1.00 0.00 C ATOM 360 CD LYS A 23 -2.424 -10.017 -8.091 1.00 0.00 C ATOM 361 CE LYS A 23 -3.069 -10.174 -9.470 1.00 0.00 C ATOM 362 NZ LYS A 23 -3.619 -8.862 -9.912 1.00 0.00 N ATOM 0 H LYS A 23 1.131 -7.932 -9.484 1.00 0.00 H new ATOM 0 HA LYS A 23 0.208 -6.723 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.405 -9.178 -6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.491 -7.957 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.892 -8.974 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.299 -10.350 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.425 -10.972 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.002 -9.320 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.333 -10.533 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.864 -10.919 -9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.058 -8.967 -10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.334 -8.538 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.850 -8.164 -9.966 1.00 0.00 H new ATOM 376 N GLN A 24 2.727 -7.263 -6.470 1.00 0.00 N ATOM 377 CA GLN A 24 3.692 -7.086 -5.345 1.00 0.00 C ATOM 378 C GLN A 24 4.325 -5.706 -5.450 1.00 0.00 C ATOM 379 O GLN A 24 4.365 -5.116 -6.512 1.00 0.00 O ATOM 380 CB GLN A 24 4.784 -8.151 -5.432 1.00 0.00 C ATOM 381 CG GLN A 24 5.041 -8.510 -6.897 1.00 0.00 C ATOM 382 CD GLN A 24 6.472 -9.032 -7.054 1.00 0.00 C ATOM 383 OE1 GLN A 24 7.401 -8.259 -7.186 1.00 0.00 O ATOM 384 NE2 GLN A 24 6.690 -10.319 -7.045 1.00 0.00 N ATOM 0 H GLN A 24 3.125 -7.142 -7.401 1.00 0.00 H new ATOM 0 HA GLN A 24 3.169 -7.185 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.701 -7.783 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.483 -9.040 -4.877 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.329 -9.266 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.891 -7.634 -7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.911 -10.968 -6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.640 -10.676 -7.149 1.00 0.00 H new ATOM 393 N LEU A 25 4.810 -5.169 -4.366 1.00 0.00 N ATOM 394 CA LEU A 25 5.412 -3.824 -4.449 1.00 0.00 C ATOM 395 C LEU A 25 6.453 -3.610 -3.350 1.00 0.00 C ATOM 396 O LEU A 25 6.185 -3.804 -2.182 1.00 0.00 O ATOM 397 CB LEU A 25 4.309 -2.779 -4.321 1.00 0.00 C ATOM 398 CG LEU A 25 3.800 -2.381 -5.708 1.00 0.00 C ATOM 399 CD1 LEU A 25 2.824 -1.211 -5.575 1.00 0.00 C ATOM 400 CD2 LEU A 25 4.978 -1.960 -6.591 1.00 0.00 C ATOM 0 H LEU A 25 4.813 -5.601 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 25 5.916 -3.728 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.488 -3.176 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.688 -1.901 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 25 3.294 -3.232 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.461 -0.926 -6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.982 -1.509 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.333 -0.363 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.611 -1.678 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.488 -1.110 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.675 -2.792 -6.688 1.00 0.00 H new ATOM 412 N THR A 26 7.643 -3.209 -3.710 1.00 0.00 N ATOM 413 CA THR A 26 8.695 -2.985 -2.678 1.00 0.00 C ATOM 414 C THR A 26 8.360 -1.726 -1.874 1.00 0.00 C ATOM 415 O THR A 26 7.403 -1.032 -2.157 1.00 0.00 O ATOM 416 CB THR A 26 10.055 -2.814 -3.358 1.00 0.00 C ATOM 417 OG1 THR A 26 10.103 -1.552 -4.011 1.00 0.00 O ATOM 418 CG2 THR A 26 10.257 -3.930 -4.383 1.00 0.00 C ATOM 0 H THR A 26 7.931 -3.027 -4.672 1.00 0.00 H new ATOM 0 HA THR A 26 8.734 -3.844 -2.008 1.00 0.00 H new ATOM 0 HB THR A 26 10.845 -2.864 -2.609 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.974 -1.441 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.226 -3.808 -4.867 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.222 -4.897 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.468 -3.882 -5.133 1.00 0.00 H new ATOM 426 N LEU A 27 9.137 -1.428 -0.869 1.00 0.00 N ATOM 427 CA LEU A 27 8.859 -0.220 -0.041 1.00 0.00 C ATOM 428 C LEU A 27 9.052 1.046 -0.883 1.00 0.00 C ATOM 429 O LEU A 27 8.234 1.943 -0.866 1.00 0.00 O ATOM 430 CB LEU A 27 9.820 -0.194 1.151 1.00 0.00 C ATOM 431 CG LEU A 27 9.081 0.299 2.396 1.00 0.00 C ATOM 432 CD1 LEU A 27 9.708 -0.327 3.642 1.00 0.00 C ATOM 433 CD2 LEU A 27 9.190 1.822 2.483 1.00 0.00 C ATOM 0 H LEU A 27 9.953 -1.969 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 27 7.830 -0.256 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.224 -1.191 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.665 0.459 0.935 1.00 0.00 H new ATOM 0 HG LEU A 27 8.031 0.012 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.182 0.024 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.633 -1.413 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.757 -0.039 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.664 2.174 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.240 2.109 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.744 2.270 1.595 1.00 0.00 H new ATOM 445 N ASN A 28 10.130 1.130 -1.614 1.00 0.00 N ATOM 446 CA ASN A 28 10.375 2.342 -2.448 1.00 0.00 C ATOM 447 C ASN A 28 9.250 2.505 -3.473 1.00 0.00 C ATOM 448 O ASN A 28 8.699 3.576 -3.639 1.00 0.00 O ATOM 449 CB ASN A 28 11.710 2.196 -3.180 1.00 0.00 C ATOM 450 CG ASN A 28 12.819 1.919 -2.165 1.00 0.00 C ATOM 451 OD1 ASN A 28 13.355 0.829 -2.114 1.00 0.00 O ATOM 452 ND2 ASN A 28 13.192 2.867 -1.348 1.00 0.00 N ATOM 0 H ASN A 28 10.852 0.412 -1.670 1.00 0.00 H new ATOM 0 HA ASN A 28 10.404 3.220 -1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.653 1.383 -3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.932 3.105 -3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.932 2.692 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.743 3.782 -1.390 1.00 0.00 H new ATOM 459 N GLU A 29 8.907 1.455 -4.167 1.00 0.00 N ATOM 460 CA GLU A 29 7.824 1.555 -5.184 1.00 0.00 C ATOM 461 C GLU A 29 6.544 2.084 -4.532 1.00 0.00 C ATOM 462 O GLU A 29 5.785 2.815 -5.137 1.00 0.00 O ATOM 463 CB GLU A 29 7.553 0.173 -5.781 1.00 0.00 C ATOM 464 CG GLU A 29 8.304 0.030 -7.107 1.00 0.00 C ATOM 465 CD GLU A 29 9.421 -1.006 -6.954 1.00 0.00 C ATOM 466 OE1 GLU A 29 9.120 -2.119 -6.558 1.00 0.00 O ATOM 467 OE2 GLU A 29 10.558 -0.666 -7.237 1.00 0.00 O ATOM 0 H GLU A 29 9.330 0.532 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 29 8.137 2.240 -5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.872 -0.603 -5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.483 0.038 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.616 -0.276 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.723 0.991 -7.405 1.00 0.00 H new ATOM 474 N ILE A 30 6.292 1.718 -3.305 1.00 0.00 N ATOM 475 CA ILE A 30 5.053 2.198 -2.627 1.00 0.00 C ATOM 476 C ILE A 30 5.166 3.695 -2.332 1.00 0.00 C ATOM 477 O ILE A 30 4.272 4.463 -2.627 1.00 0.00 O ATOM 478 CB ILE A 30 4.857 1.436 -1.315 1.00 0.00 C ATOM 479 CG1 ILE A 30 4.591 -0.040 -1.618 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.665 2.022 -0.557 1.00 0.00 C ATOM 481 CD1 ILE A 30 4.708 -0.854 -0.329 1.00 0.00 C ATOM 0 H ILE A 30 6.888 1.109 -2.744 1.00 0.00 H new ATOM 0 HA ILE A 30 4.199 2.024 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 30 5.756 1.527 -0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.597 -0.161 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.304 -0.405 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.526 1.479 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.853 3.074 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.766 1.932 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.519 -1.906 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.711 -0.743 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.977 -0.495 0.396 1.00 0.00 H new ATOM 493 N TYR A 31 6.254 4.118 -1.749 1.00 0.00 N ATOM 494 CA TYR A 31 6.412 5.566 -1.434 1.00 0.00 C ATOM 495 C TYR A 31 6.602 6.358 -2.730 1.00 0.00 C ATOM 496 O TYR A 31 5.946 7.353 -2.963 1.00 0.00 O ATOM 497 CB TYR A 31 7.635 5.764 -0.538 1.00 0.00 C ATOM 498 CG TYR A 31 7.837 7.239 -0.290 1.00 0.00 C ATOM 499 CD1 TYR A 31 6.836 7.983 0.347 1.00 0.00 C ATOM 500 CD2 TYR A 31 9.022 7.865 -0.695 1.00 0.00 C ATOM 501 CE1 TYR A 31 7.018 9.351 0.576 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.205 9.234 -0.466 1.00 0.00 C ATOM 503 CZ TYR A 31 8.202 9.977 0.169 1.00 0.00 C ATOM 504 OH TYR A 31 8.381 11.327 0.394 1.00 0.00 O ATOM 0 H TYR A 31 7.039 3.525 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 31 5.519 5.920 -0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.496 5.240 0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.520 5.338 -1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.923 7.500 0.662 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.795 7.292 -1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.245 9.924 1.067 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.119 9.717 -0.779 1.00 0.00 H new ATOM 0 HH TYR A 31 9.257 11.602 0.051 1.00 0.00 H new ATOM 514 N ASN A 32 7.500 5.926 -3.572 1.00 0.00 N ATOM 515 CA ASN A 32 7.739 6.655 -4.850 1.00 0.00 C ATOM 516 C ASN A 32 6.404 6.940 -5.544 1.00 0.00 C ATOM 517 O ASN A 32 6.105 8.064 -5.896 1.00 0.00 O ATOM 518 CB ASN A 32 8.615 5.799 -5.766 1.00 0.00 C ATOM 519 CG ASN A 32 10.088 6.093 -5.485 1.00 0.00 C ATOM 520 OD1 ASN A 32 10.513 7.231 -5.535 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.892 5.109 -5.188 1.00 0.00 N ATOM 0 H ASN A 32 8.079 5.099 -3.430 1.00 0.00 H new ATOM 0 HA ASN A 32 8.241 7.599 -4.637 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.407 4.742 -5.602 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.384 6.011 -6.810 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.877 5.295 -4.998 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.536 4.154 -5.146 1.00 0.00 H new ATOM 528 N TRP A 33 5.605 5.929 -5.749 1.00 0.00 N ATOM 529 CA TRP A 33 4.296 6.140 -6.427 1.00 0.00 C ATOM 530 C TRP A 33 3.504 7.230 -5.699 1.00 0.00 C ATOM 531 O TRP A 33 2.895 8.082 -6.314 1.00 0.00 O ATOM 532 CB TRP A 33 3.497 4.836 -6.415 1.00 0.00 C ATOM 533 CG TRP A 33 2.251 5.013 -7.222 1.00 0.00 C ATOM 534 CD1 TRP A 33 2.216 5.288 -8.546 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.864 4.939 -6.783 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.897 5.384 -8.947 1.00 0.00 N ATOM 537 CE2 TRP A 33 0.025 5.178 -7.896 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.259 4.690 -5.536 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.365 5.170 -7.779 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -1.140 4.682 -5.415 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.950 4.921 -6.534 1.00 0.00 C ATOM 0 H TRP A 33 5.803 4.966 -5.476 1.00 0.00 H new ATOM 0 HA TRP A 33 4.472 6.450 -7.457 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.098 4.024 -6.825 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.245 4.560 -5.391 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.078 5.412 -9.185 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.603 5.583 -9.903 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.874 4.504 -4.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.985 5.355 -8.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.595 4.491 -4.454 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.025 4.913 -6.434 1.00 0.00 H new ATOM 552 N PHE A 34 3.502 7.208 -4.395 1.00 0.00 N ATOM 553 CA PHE A 34 2.743 8.242 -3.635 1.00 0.00 C ATOM 554 C PHE A 34 3.229 9.639 -4.036 1.00 0.00 C ATOM 555 O PHE A 34 2.463 10.471 -4.479 1.00 0.00 O ATOM 556 CB PHE A 34 2.966 8.037 -2.137 1.00 0.00 C ATOM 557 CG PHE A 34 1.893 7.125 -1.590 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.638 5.895 -2.209 1.00 0.00 C ATOM 559 CD2 PHE A 34 1.152 7.509 -0.465 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.643 5.050 -1.704 1.00 0.00 C ATOM 561 CE2 PHE A 34 0.158 6.664 0.040 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.097 5.434 -0.579 1.00 0.00 C ATOM 0 H PHE A 34 3.992 6.520 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 34 1.681 8.150 -3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.951 7.605 -1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.942 8.996 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.209 5.598 -3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.348 8.458 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.446 4.102 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.413 6.960 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.864 4.782 -0.189 1.00 0.00 H new ATOM 572 N THR A 35 4.497 9.903 -3.877 1.00 0.00 N ATOM 573 CA THR A 35 5.036 11.246 -4.238 1.00 0.00 C ATOM 574 C THR A 35 4.968 11.453 -5.754 1.00 0.00 C ATOM 575 O THR A 35 4.567 12.495 -6.230 1.00 0.00 O ATOM 576 CB THR A 35 6.494 11.341 -3.780 1.00 0.00 C ATOM 577 OG1 THR A 35 6.819 10.197 -3.003 1.00 0.00 O ATOM 578 CG2 THR A 35 6.689 12.603 -2.940 1.00 0.00 C ATOM 0 H THR A 35 5.185 9.245 -3.512 1.00 0.00 H new ATOM 0 HA THR A 35 4.439 12.015 -3.748 1.00 0.00 H new ATOM 0 HB THR A 35 7.146 11.387 -4.652 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.198 10.481 -2.145 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.728 12.667 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.440 13.480 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.038 12.563 -2.067 1.00 0.00 H new ATOM 586 N ARG A 36 5.371 10.473 -6.514 1.00 0.00 N ATOM 587 CA ARG A 36 5.347 10.615 -7.998 1.00 0.00 C ATOM 588 C ARG A 36 3.961 11.066 -8.472 1.00 0.00 C ATOM 589 O ARG A 36 3.839 11.916 -9.332 1.00 0.00 O ATOM 590 CB ARG A 36 5.685 9.268 -8.640 1.00 0.00 C ATOM 591 CG ARG A 36 6.421 9.503 -9.961 1.00 0.00 C ATOM 592 CD ARG A 36 7.566 8.498 -10.093 1.00 0.00 C ATOM 593 NE ARG A 36 8.775 9.188 -10.625 1.00 0.00 N ATOM 594 CZ ARG A 36 9.779 9.449 -9.833 1.00 0.00 C ATOM 595 NH1 ARG A 36 10.137 8.580 -8.928 1.00 0.00 N ATOM 596 NH2 ARG A 36 10.423 10.579 -9.946 1.00 0.00 N ATOM 0 H ARG A 36 5.717 9.577 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 36 6.082 11.365 -8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.305 8.677 -7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.773 8.698 -8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.731 9.396 -10.798 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.810 10.521 -9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.786 8.052 -9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.276 7.685 -10.759 1.00 0.00 H new ATOM 0 HE ARG A 36 8.818 9.456 -11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.632 7.698 -8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.921 8.783 -8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.141 11.258 -10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.208 10.783 -9.327 1.00 0.00 H new ATOM 610 N MET A 37 2.915 10.496 -7.938 1.00 0.00 N ATOM 611 CA MET A 37 1.547 10.890 -8.383 1.00 0.00 C ATOM 612 C MET A 37 0.974 11.973 -7.465 1.00 0.00 C ATOM 613 O MET A 37 0.301 12.879 -7.912 1.00 0.00 O ATOM 614 CB MET A 37 0.631 9.665 -8.355 1.00 0.00 C ATOM 615 CG MET A 37 0.647 8.983 -9.724 1.00 0.00 C ATOM 616 SD MET A 37 -0.342 9.947 -10.893 1.00 0.00 S ATOM 617 CE MET A 37 -1.190 8.553 -11.677 1.00 0.00 C ATOM 0 H MET A 37 2.948 9.777 -7.215 1.00 0.00 H new ATOM 0 HA MET A 37 1.609 11.286 -9.397 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.963 8.968 -7.586 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.385 9.964 -8.098 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.671 8.894 -10.085 1.00 0.00 H new ATOM 0 HG3 MET A 37 0.249 7.972 -9.643 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.866 8.925 -12.447 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.455 7.888 -12.129 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.761 8.006 -10.927 1.00 0.00 H new ATOM 627 N PHE A 38 1.221 11.887 -6.185 1.00 0.00 N ATOM 628 CA PHE A 38 0.667 12.917 -5.260 1.00 0.00 C ATOM 629 C PHE A 38 1.772 13.439 -4.330 1.00 0.00 C ATOM 630 O PHE A 38 2.341 12.682 -3.569 1.00 0.00 O ATOM 631 CB PHE A 38 -0.445 12.287 -4.415 1.00 0.00 C ATOM 632 CG PHE A 38 -1.269 11.360 -5.276 1.00 0.00 C ATOM 633 CD1 PHE A 38 -1.977 11.867 -6.370 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.322 9.993 -4.980 1.00 0.00 C ATOM 635 CE1 PHE A 38 -2.741 11.008 -7.171 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.086 9.133 -5.780 1.00 0.00 C ATOM 637 CZ PHE A 38 -2.794 9.640 -6.874 1.00 0.00 C ATOM 0 H PHE A 38 1.777 11.155 -5.743 1.00 0.00 H new ATOM 0 HA PHE A 38 0.269 13.747 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.013 11.736 -3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.079 13.065 -3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.935 12.922 -6.598 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.774 9.601 -4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.288 11.400 -8.016 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.128 8.078 -5.552 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.382 8.976 -7.491 1.00 0.00 H new ATOM 647 N PRO A 39 2.033 14.723 -4.406 1.00 0.00 N ATOM 648 CA PRO A 39 3.055 15.373 -3.566 1.00 0.00 C ATOM 649 C PRO A 39 2.500 15.619 -2.160 1.00 0.00 C ATOM 650 O PRO A 39 3.200 16.065 -1.272 1.00 0.00 O ATOM 651 CB PRO A 39 3.317 16.699 -4.282 1.00 0.00 C ATOM 652 CG PRO A 39 2.061 16.990 -5.137 1.00 0.00 C ATOM 653 CD PRO A 39 1.343 15.642 -5.334 1.00 0.00 C ATOM 0 HA PRO A 39 3.958 14.774 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.492 17.500 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.206 16.633 -4.909 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.409 17.707 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.338 17.426 -6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.281 15.719 -5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.419 15.297 -6.365 1.00 0.00 H new ATOM 661 N TYR A 40 1.242 15.337 -1.955 1.00 0.00 N ATOM 662 CA TYR A 40 0.628 15.556 -0.615 1.00 0.00 C ATOM 663 C TYR A 40 1.442 14.814 0.451 1.00 0.00 C ATOM 664 O TYR A 40 1.521 15.235 1.587 1.00 0.00 O ATOM 665 CB TYR A 40 -0.811 15.028 -0.631 1.00 0.00 C ATOM 666 CG TYR A 40 -1.328 14.901 0.782 1.00 0.00 C ATOM 667 CD1 TYR A 40 -1.094 13.728 1.509 1.00 0.00 C ATOM 668 CD2 TYR A 40 -2.044 15.955 1.364 1.00 0.00 C ATOM 669 CE1 TYR A 40 -1.574 13.607 2.817 1.00 0.00 C ATOM 670 CE2 TYR A 40 -2.523 15.834 2.675 1.00 0.00 C ATOM 671 CZ TYR A 40 -2.288 14.661 3.400 1.00 0.00 C ATOM 672 OH TYR A 40 -2.760 14.542 4.691 1.00 0.00 O ATOM 0 H TYR A 40 0.610 14.962 -2.663 1.00 0.00 H new ATOM 0 HA TYR A 40 0.623 16.621 -0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.449 15.703 -1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.846 14.059 -1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.542 12.916 1.059 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.227 16.860 0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.394 12.701 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.074 16.646 3.126 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.232 15.363 4.944 1.00 0.00 H new ATOM 682 N PHE A 41 2.045 13.712 0.096 1.00 0.00 N ATOM 683 CA PHE A 41 2.849 12.953 1.096 1.00 0.00 C ATOM 684 C PHE A 41 4.312 13.395 1.025 1.00 0.00 C ATOM 685 O PHE A 41 5.200 12.714 1.499 1.00 0.00 O ATOM 686 CB PHE A 41 2.757 11.454 0.799 1.00 0.00 C ATOM 687 CG PHE A 41 1.311 11.060 0.619 1.00 0.00 C ATOM 688 CD1 PHE A 41 0.514 10.789 1.739 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.768 10.961 -0.668 1.00 0.00 C ATOM 690 CE1 PHE A 41 -0.826 10.419 1.571 1.00 0.00 C ATOM 691 CE2 PHE A 41 -0.572 10.591 -0.834 1.00 0.00 C ATOM 692 CZ PHE A 41 -1.369 10.319 0.285 1.00 0.00 C ATOM 0 H PHE A 41 2.016 13.306 -0.839 1.00 0.00 H new ATOM 0 HA PHE A 41 2.458 13.151 2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.324 11.216 -0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.201 10.884 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.933 10.865 2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.382 11.170 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.441 10.211 2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.992 10.515 -1.826 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.402 10.032 0.156 1.00 0.00 H new ATOM 702 N ARG A 42 4.574 14.531 0.440 1.00 0.00 N ATOM 703 CA ARG A 42 5.981 15.011 0.343 1.00 0.00 C ATOM 704 C ARG A 42 6.274 15.969 1.500 1.00 0.00 C ATOM 705 O ARG A 42 6.987 16.941 1.349 1.00 0.00 O ATOM 706 CB ARG A 42 6.182 15.739 -0.987 1.00 0.00 C ATOM 707 CG ARG A 42 7.576 15.426 -1.536 1.00 0.00 C ATOM 708 CD ARG A 42 8.426 16.697 -1.529 1.00 0.00 C ATOM 709 NE ARG A 42 9.826 16.361 -1.913 1.00 0.00 N ATOM 710 CZ ARG A 42 10.211 16.490 -3.152 1.00 0.00 C ATOM 711 NH1 ARG A 42 9.575 15.863 -4.102 1.00 0.00 N ATOM 712 NH2 ARG A 42 11.233 17.248 -3.441 1.00 0.00 N ATOM 0 H ARG A 42 3.875 15.147 0.025 1.00 0.00 H new ATOM 0 HA ARG A 42 6.660 14.160 0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.420 15.429 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.068 16.814 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.052 14.655 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.499 15.033 -2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.012 17.428 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.409 17.153 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 42 10.483 16.030 -1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.776 15.271 -3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.877 15.964 -5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.730 17.739 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.535 17.349 -4.410 1.00 0.00 H new ATOM 726 N ARG A 43 5.730 15.697 2.655 1.00 0.00 N ATOM 727 CA ARG A 43 5.976 16.588 3.825 1.00 0.00 C ATOM 728 C ARG A 43 6.069 15.735 5.092 1.00 0.00 C ATOM 729 O ARG A 43 7.124 15.250 5.449 1.00 0.00 O ATOM 730 CB ARG A 43 4.824 17.588 3.964 1.00 0.00 C ATOM 731 CG ARG A 43 5.156 18.868 3.195 1.00 0.00 C ATOM 732 CD ARG A 43 4.491 20.063 3.882 1.00 0.00 C ATOM 733 NE ARG A 43 3.384 20.574 3.026 1.00 0.00 N ATOM 734 CZ ARG A 43 2.143 20.421 3.404 1.00 0.00 C ATOM 735 NH1 ARG A 43 1.768 19.310 3.975 1.00 0.00 N ATOM 736 NH2 ARG A 43 1.280 21.379 3.208 1.00 0.00 N ATOM 0 H ARG A 43 5.126 14.896 2.839 1.00 0.00 H new ATOM 0 HA ARG A 43 6.908 17.134 3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.902 17.151 3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.654 17.818 5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.236 19.012 3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.808 18.787 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.104 19.767 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.224 20.851 4.056 1.00 0.00 H new ATOM 0 HE ARG A 43 3.595 21.043 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.444 18.561 4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.799 19.190 4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.574 22.247 2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.311 21.260 3.503 1.00 0.00 H new ATOM 750 N ASN A 44 4.971 15.544 5.771 1.00 0.00 N ATOM 751 CA ASN A 44 4.994 14.717 7.011 1.00 0.00 C ATOM 752 C ASN A 44 4.977 13.237 6.625 1.00 0.00 C ATOM 753 O ASN A 44 3.965 12.573 6.721 1.00 0.00 O ATOM 754 CB ASN A 44 3.760 15.034 7.859 1.00 0.00 C ATOM 755 CG ASN A 44 3.630 16.549 8.030 1.00 0.00 C ATOM 756 OD1 ASN A 44 4.431 17.302 7.511 1.00 0.00 O ATOM 757 ND2 ASN A 44 2.647 17.030 8.741 1.00 0.00 N ATOM 0 H ASN A 44 4.059 15.925 5.521 1.00 0.00 H new ATOM 0 HA ASN A 44 5.894 14.939 7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.866 14.634 7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.843 14.554 8.834 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.550 18.038 8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.975 16.398 9.176 1.00 0.00 H new ATOM 764 N ALA A 45 6.089 12.717 6.180 1.00 0.00 N ATOM 765 CA ALA A 45 6.130 11.284 5.779 1.00 0.00 C ATOM 766 C ALA A 45 6.270 10.401 7.019 1.00 0.00 C ATOM 767 O ALA A 45 6.198 9.191 6.941 1.00 0.00 O ATOM 768 CB ALA A 45 7.321 11.050 4.848 1.00 0.00 C ATOM 0 H ALA A 45 6.969 13.223 6.077 1.00 0.00 H new ATOM 0 HA ALA A 45 5.205 11.029 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.352 10.001 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.216 11.673 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.244 11.309 5.366 1.00 0.00 H new ATOM 774 N ALA A 46 6.463 10.992 8.164 1.00 0.00 N ATOM 775 CA ALA A 46 6.601 10.178 9.403 1.00 0.00 C ATOM 776 C ALA A 46 5.212 9.763 9.890 1.00 0.00 C ATOM 777 O ALA A 46 5.057 8.786 10.596 1.00 0.00 O ATOM 778 CB ALA A 46 7.296 11.005 10.484 1.00 0.00 C ATOM 0 H ALA A 46 6.531 12.001 8.296 1.00 0.00 H new ATOM 0 HA ALA A 46 7.196 9.289 9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.396 10.408 11.390 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.284 11.303 10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.703 11.894 10.699 1.00 0.00 H new ATOM 784 N THR A 47 4.198 10.502 9.527 1.00 0.00 N ATOM 785 CA THR A 47 2.821 10.150 9.980 1.00 0.00 C ATOM 786 C THR A 47 2.204 9.101 9.048 1.00 0.00 C ATOM 787 O THR A 47 1.739 8.068 9.487 1.00 0.00 O ATOM 788 CB THR A 47 1.950 11.409 9.977 1.00 0.00 C ATOM 789 OG1 THR A 47 2.631 12.455 10.653 1.00 0.00 O ATOM 790 CG2 THR A 47 0.626 11.116 10.685 1.00 0.00 C ATOM 0 H THR A 47 4.263 11.332 8.938 1.00 0.00 H new ATOM 0 HA THR A 47 2.874 9.738 10.988 1.00 0.00 H new ATOM 0 HB THR A 47 1.750 11.712 8.949 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.075 13.262 10.650 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.006 12.013 10.683 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.105 10.313 10.164 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.823 10.813 11.714 1.00 0.00 H new ATOM 798 N TRP A 48 2.179 9.360 7.766 1.00 0.00 N ATOM 799 CA TRP A 48 1.570 8.375 6.822 1.00 0.00 C ATOM 800 C TRP A 48 2.377 7.071 6.835 1.00 0.00 C ATOM 801 O TRP A 48 1.820 5.991 6.876 1.00 0.00 O ATOM 802 CB TRP A 48 1.520 8.982 5.407 1.00 0.00 C ATOM 803 CG TRP A 48 2.797 8.743 4.670 1.00 0.00 C ATOM 804 CD1 TRP A 48 3.665 9.708 4.313 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.348 7.489 4.171 1.00 0.00 C ATOM 806 NE1 TRP A 48 4.729 9.132 3.646 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.578 7.765 3.529 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.910 6.155 4.217 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.347 6.754 2.954 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.680 5.134 3.637 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.897 5.434 3.007 1.00 0.00 C ATOM 0 H TRP A 48 2.551 10.205 7.334 1.00 0.00 H new ATOM 0 HA TRP A 48 0.552 8.146 7.136 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.690 8.547 4.851 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.331 10.053 5.475 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.548 10.762 4.515 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.528 9.653 3.284 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.975 5.913 4.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.284 6.991 2.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.333 4.112 3.676 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.485 4.644 2.563 1.00 0.00 H new ATOM 822 N LYS A 49 3.680 7.154 6.811 1.00 0.00 N ATOM 823 CA LYS A 49 4.500 5.911 6.834 1.00 0.00 C ATOM 824 C LYS A 49 4.031 5.020 7.987 1.00 0.00 C ATOM 825 O LYS A 49 3.984 3.811 7.870 1.00 0.00 O ATOM 826 CB LYS A 49 5.975 6.269 7.040 1.00 0.00 C ATOM 827 CG LYS A 49 6.625 6.568 5.687 1.00 0.00 C ATOM 828 CD LYS A 49 8.145 6.640 5.856 1.00 0.00 C ATOM 829 CE LYS A 49 8.742 5.235 5.761 1.00 0.00 C ATOM 830 NZ LYS A 49 10.223 5.311 5.916 1.00 0.00 N ATOM 0 H LYS A 49 4.209 8.025 6.777 1.00 0.00 H new ATOM 0 HA LYS A 49 4.385 5.383 5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.061 7.136 7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.494 5.446 7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.365 5.792 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.247 7.510 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.576 7.281 5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.393 7.086 6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.317 4.595 6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.489 4.785 4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.628 4.355 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.621 5.908 5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.454 5.723 6.842 1.00 0.00 H new ATOM 844 N ASN A 50 3.686 5.605 9.102 1.00 0.00 N ATOM 845 CA ASN A 50 3.222 4.790 10.260 1.00 0.00 C ATOM 846 C ASN A 50 1.852 4.186 9.946 1.00 0.00 C ATOM 847 O ASN A 50 1.516 3.113 10.406 1.00 0.00 O ATOM 848 CB ASN A 50 3.113 5.677 11.503 1.00 0.00 C ATOM 849 CG ASN A 50 3.633 4.911 12.722 1.00 0.00 C ATOM 850 OD1 ASN A 50 4.468 4.038 12.595 1.00 0.00 O ATOM 851 ND2 ASN A 50 3.172 5.203 13.909 1.00 0.00 N ATOM 0 H ASN A 50 3.706 6.612 9.261 1.00 0.00 H new ATOM 0 HA ASN A 50 3.939 3.990 10.446 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.689 6.592 11.362 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.076 5.974 11.662 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.513 4.698 14.727 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.471 5.936 14.018 1.00 0.00 H new ATOM 858 N ALA A 51 1.057 4.867 9.166 1.00 0.00 N ATOM 859 CA ALA A 51 -0.290 4.330 8.826 1.00 0.00 C ATOM 860 C ALA A 51 -0.137 3.097 7.933 1.00 0.00 C ATOM 861 O ALA A 51 -0.700 2.054 8.195 1.00 0.00 O ATOM 862 CB ALA A 51 -1.093 5.401 8.084 1.00 0.00 C ATOM 0 H ALA A 51 1.282 5.771 8.750 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.813 4.053 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.079 5.009 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.202 6.280 8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.571 5.678 7.168 1.00 0.00 H new ATOM 868 N VAL A 52 0.622 3.212 6.879 1.00 0.00 N ATOM 869 CA VAL A 52 0.813 2.051 5.966 1.00 0.00 C ATOM 870 C VAL A 52 1.410 0.876 6.756 1.00 0.00 C ATOM 871 O VAL A 52 1.070 -0.269 6.533 1.00 0.00 O ATOM 872 CB VAL A 52 1.741 2.478 4.805 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.871 1.462 4.585 1.00 0.00 C ATOM 874 CG2 VAL A 52 0.915 2.589 3.523 1.00 0.00 C ATOM 0 H VAL A 52 1.119 4.061 6.610 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.141 1.728 5.549 1.00 0.00 H new ATOM 0 HB VAL A 52 2.190 3.438 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.504 1.794 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.469 1.381 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.443 0.489 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.561 2.890 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.463 1.623 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.130 3.333 3.659 1.00 0.00 H new ATOM 884 N ARG A 53 2.298 1.151 7.671 1.00 0.00 N ATOM 885 CA ARG A 53 2.913 0.048 8.465 1.00 0.00 C ATOM 886 C ARG A 53 1.829 -0.668 9.276 1.00 0.00 C ATOM 887 O ARG A 53 1.646 -1.864 9.165 1.00 0.00 O ATOM 888 CB ARG A 53 3.968 0.630 9.411 1.00 0.00 C ATOM 889 CG ARG A 53 4.343 -0.411 10.469 1.00 0.00 C ATOM 890 CD ARG A 53 5.862 -0.439 10.643 1.00 0.00 C ATOM 891 NE ARG A 53 6.293 -1.823 10.992 1.00 0.00 N ATOM 892 CZ ARG A 53 7.555 -2.149 10.928 1.00 0.00 C ATOM 893 NH1 ARG A 53 8.469 -1.302 11.320 1.00 0.00 N ATOM 894 NH2 ARG A 53 7.902 -3.322 10.475 1.00 0.00 N ATOM 0 H ARG A 53 2.624 2.089 7.904 1.00 0.00 H new ATOM 0 HA ARG A 53 3.386 -0.666 7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.853 0.925 8.847 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.583 1.529 9.892 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.862 -0.170 11.417 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.983 -1.395 10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.351 -0.114 9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.163 0.256 11.427 1.00 0.00 H new ATOM 0 HE ARG A 53 5.601 -2.515 11.281 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.196 -0.386 11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.455 -1.557 11.270 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.187 -3.983 10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.888 -3.578 10.424 1.00 0.00 H new ATOM 908 N HIS A 54 1.112 0.052 10.096 1.00 0.00 N ATOM 909 CA HIS A 54 0.045 -0.591 10.917 1.00 0.00 C ATOM 910 C HIS A 54 -0.903 -1.377 10.009 1.00 0.00 C ATOM 911 O HIS A 54 -1.278 -2.494 10.305 1.00 0.00 O ATOM 912 CB HIS A 54 -0.744 0.488 11.663 1.00 0.00 C ATOM 913 CG HIS A 54 -1.618 -0.157 12.704 1.00 0.00 C ATOM 914 ND1 HIS A 54 -1.099 -0.950 13.717 1.00 0.00 N ATOM 915 CD2 HIS A 54 -2.977 -0.139 12.902 1.00 0.00 C ATOM 916 CE1 HIS A 54 -2.132 -1.371 14.471 1.00 0.00 C ATOM 917 NE2 HIS A 54 -3.299 -0.906 14.018 1.00 0.00 N ATOM 0 H HIS A 54 1.219 1.057 10.233 1.00 0.00 H new ATOM 0 HA HIS A 54 0.504 -1.271 11.635 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -0.059 1.193 12.134 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -1.355 1.057 10.962 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.688 0.390 12.285 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.029 -2.008 15.337 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -4.227 -1.076 14.406 1.00 0.00 H new ATOM 925 N ASN A 55 -1.298 -0.801 8.909 1.00 0.00 N ATOM 926 CA ASN A 55 -2.227 -1.511 7.984 1.00 0.00 C ATOM 927 C ASN A 55 -1.524 -2.731 7.376 1.00 0.00 C ATOM 928 O ASN A 55 -2.160 -3.672 6.945 1.00 0.00 O ATOM 929 CB ASN A 55 -2.650 -0.555 6.866 1.00 0.00 C ATOM 930 CG ASN A 55 -3.907 -1.091 6.179 1.00 0.00 C ATOM 931 OD1 ASN A 55 -4.782 -1.631 6.825 1.00 0.00 O ATOM 932 ND2 ASN A 55 -4.033 -0.961 4.887 1.00 0.00 N ATOM 0 H ASN A 55 -1.018 0.133 8.609 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.105 -1.844 8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.842 0.437 7.275 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.844 -0.449 6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.867 -1.313 4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.297 -0.507 4.346 1.00 0.00 H new ATOM 939 N LEU A 56 -0.221 -2.717 7.326 1.00 0.00 N ATOM 940 CA LEU A 56 0.521 -3.868 6.732 1.00 0.00 C ATOM 941 C LEU A 56 0.436 -5.101 7.642 1.00 0.00 C ATOM 942 O LEU A 56 0.065 -6.175 7.211 1.00 0.00 O ATOM 943 CB LEU A 56 1.990 -3.482 6.552 1.00 0.00 C ATOM 944 CG LEU A 56 2.410 -3.717 5.100 1.00 0.00 C ATOM 945 CD1 LEU A 56 3.935 -3.633 4.990 1.00 0.00 C ATOM 946 CD2 LEU A 56 1.944 -5.104 4.652 1.00 0.00 C ATOM 0 H LEU A 56 0.365 -1.957 7.671 1.00 0.00 H new ATOM 0 HA LEU A 56 0.071 -4.111 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.136 -2.435 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.616 -4.072 7.222 1.00 0.00 H new ATOM 0 HG LEU A 56 1.956 -2.957 4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.235 -3.800 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.269 -2.646 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.388 -4.393 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.243 -5.272 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.398 -5.864 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.859 -5.166 4.730 1.00 0.00 H new ATOM 958 N SER A 57 0.807 -4.968 8.887 1.00 0.00 N ATOM 959 CA SER A 57 0.779 -6.145 9.809 1.00 0.00 C ATOM 960 C SER A 57 -0.657 -6.502 10.206 1.00 0.00 C ATOM 961 O SER A 57 -0.975 -7.654 10.431 1.00 0.00 O ATOM 962 CB SER A 57 1.583 -5.817 11.067 1.00 0.00 C ATOM 963 OG SER A 57 0.782 -5.037 11.945 1.00 0.00 O ATOM 0 H SER A 57 1.129 -4.096 9.307 1.00 0.00 H new ATOM 0 HA SER A 57 1.215 -6.999 9.292 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.897 -6.736 11.562 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.489 -5.272 10.802 1.00 0.00 H new ATOM 0 HG SER A 57 1.294 -4.826 12.754 1.00 0.00 H new ATOM 969 N LEU A 58 -1.525 -5.536 10.314 1.00 0.00 N ATOM 970 CA LEU A 58 -2.928 -5.841 10.719 1.00 0.00 C ATOM 971 C LEU A 58 -3.675 -6.527 9.572 1.00 0.00 C ATOM 972 O LEU A 58 -4.770 -7.023 9.746 1.00 0.00 O ATOM 973 CB LEU A 58 -3.643 -4.540 11.088 1.00 0.00 C ATOM 974 CG LEU A 58 -4.868 -4.858 11.948 1.00 0.00 C ATOM 975 CD1 LEU A 58 -4.433 -5.089 13.396 1.00 0.00 C ATOM 976 CD2 LEU A 58 -5.849 -3.685 11.894 1.00 0.00 C ATOM 0 H LEU A 58 -1.326 -4.551 10.140 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.912 -6.511 11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.965 -3.881 11.631 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.947 -4.011 10.185 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.353 -5.757 11.567 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.307 -5.315 14.007 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.735 -5.925 13.437 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.946 -4.191 13.777 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.721 -3.912 12.507 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.363 -2.786 12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.163 -3.520 10.863 1.00 0.00 H new ATOM 988 N HIS A 59 -3.101 -6.563 8.401 1.00 0.00 N ATOM 989 CA HIS A 59 -3.797 -7.220 7.259 1.00 0.00 C ATOM 990 C HIS A 59 -3.019 -8.466 6.829 1.00 0.00 C ATOM 991 O HIS A 59 -1.883 -8.389 6.404 1.00 0.00 O ATOM 992 CB HIS A 59 -3.889 -6.240 6.090 1.00 0.00 C ATOM 993 CG HIS A 59 -5.081 -5.337 6.272 1.00 0.00 C ATOM 994 ND1 HIS A 59 -6.212 -5.729 6.975 1.00 0.00 N ATOM 995 CD2 HIS A 59 -5.332 -4.057 5.845 1.00 0.00 C ATOM 996 CE1 HIS A 59 -7.081 -4.702 6.949 1.00 0.00 C ATOM 997 NE2 HIS A 59 -6.594 -3.659 6.273 1.00 0.00 N ATOM 0 H HIS A 59 -2.185 -6.168 8.186 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.801 -7.514 7.566 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.977 -5.646 6.029 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.976 -6.787 5.151 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.652 -3.451 5.265 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.054 -4.719 7.418 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.050 -2.762 6.106 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.625 -9.617 6.941 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.926 -10.873 6.548 1.00 0.00 C ATOM 1007 C LYS A 60 -2.983 -11.049 5.030 1.00 0.00 C ATOM 1008 O LYS A 60 -2.257 -11.842 4.466 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.608 -12.066 7.223 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.560 -12.913 7.946 1.00 0.00 C ATOM 1011 CD LYS A 60 -3.036 -13.209 9.369 1.00 0.00 C ATOM 1012 CE LYS A 60 -2.191 -12.415 10.366 1.00 0.00 C ATOM 1013 NZ LYS A 60 -1.659 -13.339 11.408 1.00 0.00 N ATOM 0 H LYS A 60 -4.576 -9.741 7.288 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.884 -10.817 6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.359 -11.716 7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.128 -12.669 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.394 -13.845 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.606 -12.386 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.088 -12.943 9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.955 -14.276 9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.369 -11.919 9.850 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.794 -11.634 10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.084 -12.802 12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.451 -13.792 11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.071 -14.069 10.957 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.832 -10.321 4.360 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.911 -10.469 2.881 1.00 0.00 C ATOM 1029 C TYR A 61 -2.660 -9.853 2.248 1.00 0.00 C ATOM 1030 O TYR A 61 -2.409 -10.008 1.069 1.00 0.00 O ATOM 1031 CB TYR A 61 -5.170 -9.778 2.351 1.00 0.00 C ATOM 1032 CG TYR A 61 -5.081 -8.289 2.572 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -4.189 -7.524 1.816 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.902 -7.674 3.524 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -4.115 -6.141 2.013 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.830 -6.291 3.719 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.935 -5.523 2.965 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.864 -4.159 3.158 1.00 0.00 O ATOM 0 H TYR A 61 -4.469 -9.636 4.768 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.964 -11.526 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.289 -9.988 1.288 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.051 -10.175 2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.557 -8.000 1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.591 -8.267 4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.425 -5.549 1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.465 -5.815 4.452 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.121 -3.793 2.635 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.860 -9.172 3.028 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.611 -8.571 2.480 1.00 0.00 C ATOM 1050 C PHE A 62 0.502 -9.619 2.561 1.00 0.00 C ATOM 1051 O PHE A 62 0.802 -10.128 3.622 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.215 -7.354 3.323 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.830 -6.101 2.746 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.545 -5.721 1.428 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.679 -5.315 3.533 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -1.110 -4.553 0.900 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -2.245 -4.148 3.005 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.960 -3.767 1.689 1.00 0.00 C ATOM 0 H PHE A 62 -2.020 -9.007 4.022 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.768 -8.259 1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.547 -7.491 4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.870 -7.257 3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.109 -6.328 0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.898 -5.609 4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.890 -4.258 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.901 -3.543 3.613 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.395 -2.867 1.281 1.00 0.00 H new ATOM 1068 N VAL A 63 1.116 -9.960 1.459 1.00 0.00 N ATOM 1069 CA VAL A 63 2.196 -10.987 1.516 1.00 0.00 C ATOM 1070 C VAL A 63 3.534 -10.360 1.114 1.00 0.00 C ATOM 1071 O VAL A 63 3.585 -9.412 0.355 1.00 0.00 O ATOM 1072 CB VAL A 63 1.858 -12.139 0.563 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.095 -13.013 0.351 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.738 -12.987 1.168 1.00 0.00 C ATOM 0 H VAL A 63 0.920 -9.578 0.534 1.00 0.00 H new ATOM 0 HA VAL A 63 2.274 -11.369 2.534 1.00 0.00 H new ATOM 0 HB VAL A 63 1.534 -11.731 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.851 -13.831 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.896 -12.412 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.421 -13.420 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.496 -13.807 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.065 -13.391 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.146 -12.368 1.318 1.00 0.00 H new ATOM 1084 N ARG A 64 4.619 -10.887 1.616 1.00 0.00 N ATOM 1085 CA ARG A 64 5.956 -10.331 1.263 1.00 0.00 C ATOM 1086 C ARG A 64 6.758 -11.390 0.504 1.00 0.00 C ATOM 1087 O ARG A 64 7.295 -12.312 1.085 1.00 0.00 O ATOM 1088 CB ARG A 64 6.703 -9.942 2.542 1.00 0.00 C ATOM 1089 CG ARG A 64 8.115 -9.473 2.184 1.00 0.00 C ATOM 1090 CD ARG A 64 8.926 -9.272 3.467 1.00 0.00 C ATOM 1091 NE ARG A 64 9.643 -10.534 3.805 1.00 0.00 N ATOM 1092 CZ ARG A 64 10.626 -10.519 4.665 1.00 0.00 C ATOM 1093 NH1 ARG A 64 11.825 -10.175 4.280 1.00 0.00 N ATOM 1094 NH2 ARG A 64 10.409 -10.846 5.909 1.00 0.00 N ATOM 0 H ARG A 64 4.636 -11.680 2.257 1.00 0.00 H new ATOM 0 HA ARG A 64 5.831 -9.448 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.166 -9.149 3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.752 -10.793 3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.603 -10.208 1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.068 -8.541 1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.641 -8.460 3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.266 -8.986 4.286 1.00 0.00 H new ATOM 0 HE ARG A 64 9.366 -11.411 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.994 -9.918 3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.593 -10.163 4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.472 -11.113 6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.177 -10.834 6.581 1.00 0.00 H new ATOM 1108 N VAL A 65 6.836 -11.270 -0.794 1.00 0.00 N ATOM 1109 CA VAL A 65 7.592 -12.269 -1.592 1.00 0.00 C ATOM 1110 C VAL A 65 9.044 -11.815 -1.758 1.00 0.00 C ATOM 1111 O VAL A 65 9.323 -10.647 -1.944 1.00 0.00 O ATOM 1112 CB VAL A 65 6.947 -12.409 -2.972 1.00 0.00 C ATOM 1113 CG1 VAL A 65 7.682 -13.484 -3.774 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.478 -12.808 -2.810 1.00 0.00 C ATOM 0 H VAL A 65 6.406 -10.520 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 65 7.572 -13.228 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 65 7.010 -11.457 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.222 -13.583 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.728 -13.200 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.621 -14.436 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.018 -12.908 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.416 -13.759 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.953 -12.041 -2.240 1.00 0.00 H new ATOM 1124 N GLU A 66 9.971 -12.732 -1.699 1.00 0.00 N ATOM 1125 CA GLU A 66 11.398 -12.355 -1.862 1.00 0.00 C ATOM 1126 C GLU A 66 11.685 -12.110 -3.346 1.00 0.00 C ATOM 1127 O GLU A 66 11.316 -12.893 -4.198 1.00 0.00 O ATOM 1128 CB GLU A 66 12.295 -13.483 -1.334 1.00 0.00 C ATOM 1129 CG GLU A 66 12.376 -14.613 -2.365 1.00 0.00 C ATOM 1130 CD GLU A 66 12.658 -15.938 -1.653 1.00 0.00 C ATOM 1131 OE1 GLU A 66 11.796 -16.388 -0.916 1.00 0.00 O ATOM 1132 OE2 GLU A 66 13.732 -16.480 -1.857 1.00 0.00 O ATOM 0 H GLU A 66 9.799 -13.725 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 66 11.605 -11.446 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.293 -13.098 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.898 -13.865 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.441 -14.679 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.163 -14.403 -3.089 1.00 0.00 H new ATOM 1139 N ASN A 67 12.341 -11.030 -3.660 1.00 0.00 N ATOM 1140 CA ASN A 67 12.652 -10.732 -5.079 1.00 0.00 C ATOM 1141 C ASN A 67 14.132 -10.369 -5.206 1.00 0.00 C ATOM 1142 O ASN A 67 14.768 -9.979 -4.248 1.00 0.00 O ATOM 1143 CB ASN A 67 11.789 -9.561 -5.556 1.00 0.00 C ATOM 1144 CG ASN A 67 11.441 -9.747 -7.035 1.00 0.00 C ATOM 1145 OD1 ASN A 67 12.087 -9.186 -7.898 1.00 0.00 O ATOM 1146 ND2 ASN A 67 10.440 -10.515 -7.365 1.00 0.00 N ATOM 0 H ASN A 67 12.676 -10.338 -2.989 1.00 0.00 H new ATOM 0 HA ASN A 67 12.440 -11.607 -5.693 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.877 -9.503 -4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.323 -8.621 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.199 -10.645 -8.348 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.898 -10.986 -6.640 1.00 0.00 H new ATOM 1153 N VAL A 68 14.688 -10.492 -6.380 1.00 0.00 N ATOM 1154 CA VAL A 68 16.127 -10.151 -6.554 1.00 0.00 C ATOM 1155 C VAL A 68 16.364 -8.723 -6.065 1.00 0.00 C ATOM 1156 O VAL A 68 17.373 -8.421 -5.461 1.00 0.00 O ATOM 1157 CB VAL A 68 16.503 -10.258 -8.032 1.00 0.00 C ATOM 1158 CG1 VAL A 68 17.991 -9.948 -8.204 1.00 0.00 C ATOM 1159 CG2 VAL A 68 16.219 -11.679 -8.525 1.00 0.00 C ATOM 0 H VAL A 68 14.210 -10.812 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 68 16.742 -10.842 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 68 15.915 -9.545 -8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.259 -10.024 -9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.195 -8.938 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.580 -10.661 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.486 -11.759 -9.579 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.809 -12.390 -7.946 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.159 -11.902 -8.401 1.00 0.00 H new ATOM 1169 N LYS A 69 15.437 -7.843 -6.320 1.00 0.00 N ATOM 1170 CA LYS A 69 15.598 -6.437 -5.873 1.00 0.00 C ATOM 1171 C LYS A 69 15.308 -6.343 -4.373 1.00 0.00 C ATOM 1172 O LYS A 69 15.552 -5.332 -3.745 1.00 0.00 O ATOM 1173 CB LYS A 69 14.619 -5.546 -6.638 1.00 0.00 C ATOM 1174 CG LYS A 69 15.383 -4.703 -7.659 1.00 0.00 C ATOM 1175 CD LYS A 69 15.588 -5.516 -8.938 1.00 0.00 C ATOM 1176 CE LYS A 69 15.386 -4.610 -10.155 1.00 0.00 C ATOM 1177 NZ LYS A 69 14.010 -4.803 -10.693 1.00 0.00 N ATOM 0 H LYS A 69 14.571 -8.041 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 69 16.619 -6.107 -6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.872 -6.159 -7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.083 -4.898 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.830 -3.790 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.347 -4.400 -7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.590 -5.945 -8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.885 -6.348 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.536 -3.567 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.124 -4.843 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.871 -4.188 -11.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.884 -5.796 -10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.313 -4.560 -9.960 1.00 0.00 H new ATOM 1191 N GLY A 70 14.786 -7.391 -3.795 1.00 0.00 N ATOM 1192 CA GLY A 70 14.478 -7.365 -2.344 1.00 0.00 C ATOM 1193 C GLY A 70 13.058 -7.889 -2.112 1.00 0.00 C ATOM 1194 O GLY A 70 12.422 -8.402 -3.011 1.00 0.00 O ATOM 0 H GLY A 70 14.560 -8.265 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.196 -7.977 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.569 -6.349 -1.961 1.00 0.00 H new ATOM 1198 N ALA A 71 12.559 -7.769 -0.911 1.00 0.00 N ATOM 1199 CA ALA A 71 11.187 -8.265 -0.622 1.00 0.00 C ATOM 1200 C ALA A 71 10.159 -7.352 -1.292 1.00 0.00 C ATOM 1201 O ALA A 71 10.406 -6.183 -1.519 1.00 0.00 O ATOM 1202 CB ALA A 71 10.955 -8.274 0.890 1.00 0.00 C ATOM 0 H ALA A 71 13.044 -7.348 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 71 11.079 -9.277 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.949 -8.638 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.685 -8.928 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.065 -7.262 1.281 1.00 0.00 H new ATOM 1208 N VAL A 72 9.005 -7.874 -1.612 1.00 0.00 N ATOM 1209 CA VAL A 72 7.965 -7.033 -2.269 1.00 0.00 C ATOM 1210 C VAL A 72 6.647 -7.147 -1.501 1.00 0.00 C ATOM 1211 O VAL A 72 6.358 -8.153 -0.888 1.00 0.00 O ATOM 1212 CB VAL A 72 7.754 -7.509 -3.705 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.082 -7.453 -4.462 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.234 -8.948 -3.694 1.00 0.00 C ATOM 0 H VAL A 72 8.739 -8.845 -1.447 1.00 0.00 H new ATOM 0 HA VAL A 72 8.295 -5.994 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 72 7.027 -6.863 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.931 -7.793 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.453 -6.428 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.809 -8.098 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.083 -9.288 -4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.960 -9.594 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.287 -8.989 -3.155 1.00 0.00 H new ATOM 1224 N TRP A 73 5.850 -6.116 -1.533 1.00 0.00 N ATOM 1225 CA TRP A 73 4.553 -6.149 -0.811 1.00 0.00 C ATOM 1226 C TRP A 73 3.424 -6.497 -1.784 1.00 0.00 C ATOM 1227 O TRP A 73 3.179 -5.792 -2.740 1.00 0.00 O ATOM 1228 CB TRP A 73 4.283 -4.788 -0.168 1.00 0.00 C ATOM 1229 CG TRP A 73 5.049 -4.688 1.111 1.00 0.00 C ATOM 1230 CD1 TRP A 73 5.928 -3.705 1.418 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.022 -5.586 2.257 1.00 0.00 C ATOM 1232 NE1 TRP A 73 6.442 -3.944 2.680 1.00 0.00 N ATOM 1233 CE2 TRP A 73 5.914 -5.092 3.239 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.316 -6.770 2.539 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.099 -5.751 4.456 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.500 -7.435 3.762 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.391 -6.927 4.718 1.00 0.00 C ATOM 0 H TRP A 73 6.045 -5.248 -2.032 1.00 0.00 H new ATOM 0 HA TRP A 73 4.598 -6.910 -0.032 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.578 -3.987 -0.846 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.217 -4.668 0.023 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.186 -2.871 0.782 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.127 -3.346 3.142 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.628 -7.170 1.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 6.785 -5.354 5.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 3.952 -8.343 3.967 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.530 -7.444 5.656 1.00 0.00 H new ATOM 1248 N THR A 74 2.735 -7.583 -1.556 1.00 0.00 N ATOM 1249 CA THR A 74 1.645 -7.966 -2.481 1.00 0.00 C ATOM 1250 C THR A 74 0.376 -8.309 -1.699 1.00 0.00 C ATOM 1251 O THR A 74 0.411 -8.554 -0.510 1.00 0.00 O ATOM 1252 CB THR A 74 2.090 -9.184 -3.290 1.00 0.00 C ATOM 1253 OG1 THR A 74 0.976 -9.721 -3.991 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.661 -10.243 -2.345 1.00 0.00 C ATOM 0 H THR A 74 2.884 -8.216 -0.770 1.00 0.00 H new ATOM 0 HA THR A 74 1.428 -7.130 -3.146 1.00 0.00 H new ATOM 0 HB THR A 74 2.857 -8.886 -4.005 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.478 -8.994 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.978 -11.112 -2.921 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.516 -9.830 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.896 -10.543 -1.629 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.745 -8.333 -2.368 1.00 0.00 N ATOM 1263 CA VAL A 75 -2.024 -8.667 -1.675 1.00 0.00 C ATOM 1264 C VAL A 75 -2.565 -9.992 -2.216 1.00 0.00 C ATOM 1265 O VAL A 75 -2.457 -10.284 -3.390 1.00 0.00 O ATOM 1266 CB VAL A 75 -3.054 -7.563 -1.929 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -3.398 -7.517 -3.418 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -4.323 -7.861 -1.126 1.00 0.00 C ATOM 0 H VAL A 75 -0.831 -8.136 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.840 -8.753 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.641 -6.602 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.131 -6.731 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.496 -7.310 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.813 -8.477 -3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.059 -7.077 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.733 -8.822 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.081 -7.897 -0.064 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.150 -10.795 -1.371 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.700 -12.097 -1.841 1.00 0.00 C ATOM 1280 C ASP A 76 -5.205 -11.955 -2.069 1.00 0.00 C ATOM 1281 O ASP A 76 -5.961 -11.703 -1.151 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.446 -13.172 -0.780 1.00 0.00 C ATOM 1283 CG ASP A 76 -4.026 -14.506 -1.253 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -4.365 -14.601 -2.420 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -4.124 -15.408 -0.438 1.00 0.00 O ATOM 0 H ASP A 76 -3.271 -10.606 -0.376 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.213 -12.385 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.376 -13.273 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.903 -12.880 0.165 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.649 -12.111 -3.285 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.107 -11.982 -3.568 1.00 0.00 C ATOM 1292 C GLU A 77 -7.894 -12.888 -2.622 1.00 0.00 C ATOM 1293 O GLU A 77 -8.970 -12.546 -2.173 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.384 -12.394 -5.014 1.00 0.00 C ATOM 1295 CG GLU A 77 -7.856 -11.176 -5.809 1.00 0.00 C ATOM 1296 CD GLU A 77 -7.163 -11.160 -7.172 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -7.680 -11.782 -8.085 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -6.126 -10.526 -7.279 1.00 0.00 O ATOM 0 H GLU A 77 -5.066 -12.322 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.414 -10.947 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.482 -12.809 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.143 -13.176 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.938 -11.210 -5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.629 -10.261 -5.262 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.368 -14.041 -2.314 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.088 -14.964 -1.400 1.00 0.00 C ATOM 1307 C VAL A 78 -8.236 -14.299 -0.032 1.00 0.00 C ATOM 1308 O VAL A 78 -9.326 -14.121 0.472 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.289 -16.259 -1.251 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -7.992 -17.183 -0.255 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.190 -16.953 -2.611 1.00 0.00 C ATOM 0 H VAL A 78 -6.470 -14.382 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.073 -15.191 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.288 -16.029 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.422 -18.106 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.063 -16.688 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.993 -17.415 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.621 -17.877 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.191 -17.183 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.688 -16.295 -3.320 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.140 -13.931 0.568 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.201 -13.276 1.901 1.00 0.00 C ATOM 1323 C GLU A 79 -7.869 -11.905 1.769 1.00 0.00 C ATOM 1324 O GLU A 79 -8.672 -11.513 2.592 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.784 -13.095 2.446 1.00 0.00 C ATOM 1326 CG GLU A 79 -5.381 -14.334 3.247 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.321 -14.498 4.444 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -6.438 -13.559 5.214 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -6.906 -15.561 4.570 1.00 0.00 O ATOM 0 H GLU A 79 -6.201 -14.057 0.190 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.779 -13.900 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.085 -12.937 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.737 -12.209 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.425 -15.220 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.351 -14.238 3.591 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.533 -11.172 0.745 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.135 -9.825 0.559 1.00 0.00 C ATOM 1338 C PHE A 80 -9.639 -9.952 0.302 1.00 0.00 C ATOM 1339 O PHE A 80 -10.429 -9.180 0.808 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.473 -9.136 -0.635 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.847 -7.673 -0.647 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -9.006 -7.254 -1.312 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -7.037 -6.737 0.005 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -9.353 -5.898 -1.325 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.383 -5.380 -0.008 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.542 -4.961 -0.673 1.00 0.00 C ATOM 0 H PHE A 80 -6.864 -11.450 0.027 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.976 -9.235 1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.390 -9.244 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.790 -9.611 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.632 -7.977 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.144 -7.061 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.247 -5.574 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.757 -4.658 0.494 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.810 -3.915 -0.683 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.041 -10.911 -0.487 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.494 -11.074 -0.783 1.00 0.00 C ATOM 1358 C GLN A 81 -12.172 -11.872 0.334 1.00 0.00 C ATOM 1359 O GLN A 81 -13.316 -12.263 0.218 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.663 -11.817 -2.110 1.00 0.00 C ATOM 1361 CG GLN A 81 -11.069 -10.980 -3.245 1.00 0.00 C ATOM 1362 CD GLN A 81 -12.110 -9.970 -3.732 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -12.796 -10.209 -4.705 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -12.257 -8.843 -3.091 1.00 0.00 N ATOM 0 H GLN A 81 -9.427 -11.588 -0.939 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.956 -10.089 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.167 -12.787 -2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.719 -12.008 -2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.176 -10.460 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.762 -11.627 -4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.681 -8.642 -2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.948 -8.163 -3.407 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.481 -12.121 1.412 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.096 -12.895 2.522 1.00 0.00 C ATOM 1375 C LYS A 82 -13.003 -11.979 3.349 1.00 0.00 C ATOM 1376 O LYS A 82 -14.210 -12.118 3.346 1.00 0.00 O ATOM 1377 CB LYS A 82 -10.996 -13.468 3.417 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.515 -14.721 4.126 1.00 0.00 C ATOM 1379 CD LYS A 82 -11.065 -15.966 3.357 1.00 0.00 C ATOM 1380 CE LYS A 82 -12.128 -17.059 3.480 1.00 0.00 C ATOM 1381 NZ LYS A 82 -11.669 -18.284 2.766 1.00 0.00 N ATOM 0 H LYS A 82 -10.519 -11.822 1.570 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.689 -13.711 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.118 -13.713 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.686 -12.724 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.138 -14.756 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.603 -14.692 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.903 -15.719 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.114 -16.324 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.312 -17.285 4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.072 -16.712 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.392 -19.026 2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.515 -18.063 1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.779 -18.618 3.187 1.00 0.00 H new ATOM 1395 N ARG A 83 -12.431 -11.049 4.063 1.00 0.00 N ATOM 1396 CA ARG A 83 -13.252 -10.130 4.895 1.00 0.00 C ATOM 1397 C ARG A 83 -13.788 -8.984 4.032 1.00 0.00 C ATOM 1398 O ARG A 83 -14.599 -8.193 4.470 1.00 0.00 O ATOM 1399 CB ARG A 83 -12.386 -9.559 6.021 1.00 0.00 C ATOM 1400 CG ARG A 83 -13.280 -9.110 7.179 1.00 0.00 C ATOM 1401 CD ARG A 83 -12.405 -8.633 8.340 1.00 0.00 C ATOM 1402 NE ARG A 83 -13.273 -8.167 9.458 1.00 0.00 N ATOM 1403 CZ ARG A 83 -13.360 -8.870 10.553 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -12.432 -8.778 11.465 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -14.376 -9.671 10.735 1.00 0.00 N ATOM 0 H ARG A 83 -11.425 -10.887 4.105 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.092 -10.680 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.678 -10.312 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.801 -8.716 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.941 -8.307 6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.916 -9.934 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.760 -9.443 8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.754 -7.824 8.010 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.799 -7.298 9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.637 -8.155 11.322 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.502 -9.329 12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.100 -9.746 10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.445 -10.221 11.591 1.00 0.00 H new ATOM 1419 N ARG A 84 -13.336 -8.884 2.811 1.00 0.00 N ATOM 1420 CA ARG A 84 -13.812 -7.786 1.925 1.00 0.00 C ATOM 1421 C ARG A 84 -15.326 -7.896 1.708 1.00 0.00 C ATOM 1422 O ARG A 84 -16.050 -6.946 1.931 1.00 0.00 O ATOM 1423 CB ARG A 84 -13.098 -7.872 0.574 1.00 0.00 C ATOM 1424 CG ARG A 84 -12.251 -6.615 0.361 1.00 0.00 C ATOM 1425 CD ARG A 84 -13.164 -5.390 0.302 1.00 0.00 C ATOM 1426 NE ARG A 84 -12.352 -4.178 -0.006 1.00 0.00 N ATOM 1427 CZ ARG A 84 -12.947 -3.044 -0.265 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -13.881 -2.599 0.530 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -12.606 -2.354 -1.319 1.00 0.00 N ATOM 0 H ARG A 84 -12.656 -9.517 2.389 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.590 -6.830 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.465 -8.759 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -13.828 -7.971 -0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.531 -6.507 1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -11.679 -6.701 -0.563 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -13.930 -5.531 -0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -13.681 -5.262 1.253 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.334 -4.234 -0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.147 -3.137 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.345 -1.714 0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.875 -2.700 -1.941 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.071 -1.469 -1.521 1.00 0.00 H new ATOM 1443 N PRO A 85 -15.762 -9.052 1.270 1.00 0.00 N ATOM 1444 CA PRO A 85 -17.188 -9.310 1.002 1.00 0.00 C ATOM 1445 C PRO A 85 -17.952 -9.540 2.309 1.00 0.00 C ATOM 1446 O PRO A 85 -18.686 -10.498 2.449 1.00 0.00 O ATOM 1447 CB PRO A 85 -17.171 -10.577 0.147 1.00 0.00 C ATOM 1448 CG PRO A 85 -15.826 -11.283 0.441 1.00 0.00 C ATOM 1449 CD PRO A 85 -14.878 -10.206 1.004 1.00 0.00 C ATOM 0 HA PRO A 85 -17.686 -8.476 0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.012 -11.224 0.395 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.258 -10.333 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -15.962 -12.093 1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -15.414 -11.726 -0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.383 -10.547 1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.094 -9.952 0.290 1.00 0.00 H new ATOM 1457 N GLN A 86 -17.788 -8.668 3.265 1.00 0.00 N ATOM 1458 CA GLN A 86 -18.504 -8.834 4.554 1.00 0.00 C ATOM 1459 C GLN A 86 -19.853 -8.118 4.476 1.00 0.00 C ATOM 1460 O GLN A 86 -20.073 -7.116 5.127 1.00 0.00 O ATOM 1461 CB GLN A 86 -17.671 -8.228 5.685 1.00 0.00 C ATOM 1462 CG GLN A 86 -17.302 -9.319 6.690 1.00 0.00 C ATOM 1463 CD GLN A 86 -18.577 -9.918 7.287 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -19.671 -9.577 6.883 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -18.480 -10.805 8.239 1.00 0.00 N ATOM 0 H GLN A 86 -17.187 -7.846 3.206 1.00 0.00 H new ATOM 0 HA GLN A 86 -18.661 -9.895 4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -16.768 -7.771 5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -18.233 -7.437 6.181 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -16.718 -10.097 6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -16.678 -8.903 7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -17.561 -11.091 8.578 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -19.323 -11.212 8.644 1.00 0.00 H new ATOM 1474 N LYS A 87 -20.757 -8.619 3.680 1.00 0.00 N ATOM 1475 CA LYS A 87 -22.083 -7.966 3.557 1.00 0.00 C ATOM 1476 C LYS A 87 -23.173 -9.033 3.439 1.00 0.00 C ATOM 1477 O LYS A 87 -22.828 -10.193 3.282 1.00 0.00 O ATOM 1478 CB LYS A 87 -22.098 -7.077 2.313 1.00 0.00 C ATOM 1479 CG LYS A 87 -21.225 -5.844 2.554 1.00 0.00 C ATOM 1480 CD LYS A 87 -22.117 -4.628 2.807 1.00 0.00 C ATOM 1481 CE LYS A 87 -21.266 -3.470 3.328 1.00 0.00 C ATOM 1482 NZ LYS A 87 -21.040 -2.486 2.231 1.00 0.00 N ATOM 1483 OXT LYS A 87 -24.337 -8.672 3.508 1.00 0.00 O ATOM 0 H LYS A 87 -20.631 -9.455 3.109 1.00 0.00 H new ATOM 0 HA LYS A 87 -22.271 -7.357 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -21.729 -7.633 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -23.119 -6.773 2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -20.569 -6.011 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -20.584 -5.665 1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -22.622 -4.336 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -22.893 -4.877 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -21.766 -2.986 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -20.311 -3.844 3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.461 -1.698 2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.546 -2.952 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -21.955 -2.121 1.898 1.00 0.00 H new TER 1497 LYS A 87