USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 850 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 9 TYR OH : rot 148:sc= 1.08 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.241 F(o=-3.2!,f=-0.24) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.939 F(o=-2.1!,f=-0.94) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0807) USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= 0.509 (180deg=0.25) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc=-0.00426 (180deg=-0.116) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= 1.22 (180deg=1.15) USER MOD Single : B 9 TYR OH : rot 180:sc= -1.2! USER MOD Single : B 11 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.3!) USER MOD Single : B 15 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.15) USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 19 LYS NZ :NH3+ 143:sc= -0.19 (180deg=-0.925) USER MOD Single : B 23 LYS NZ :NH3+ 172:sc= 0.888 (180deg=0.525) USER MOD Single : B 29 LYS NZ :NH3+ 172:sc=-0.00388 (180deg=-0.0439) USER MOD Single : B 31 LYS NZ :NH3+ -169:sc=-0.00704 (180deg=-0.118) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= -0.102 USER MOD Single : B 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= -0.515 USER MOD Single : B 61 SER OG : rot -24:sc= 0.402 USER MOD Single : B 64 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-1.1) USER MOD Single : B 65 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.8!) USER MOD Single : B 66 HIS : no HD1:sc= -0.162 K(o=-0.16,f=-0.83) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : B 68 HIS : no HD1:sc= -0.0608 X(o=-0.061,f=-0.00021) USER MOD Single : B 69 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 56 N ILE A 4 -7.163 1.600 3.200 1.00 0.00 N ATOM 57 CA ILE A 4 -6.916 0.442 2.385 1.00 0.00 C ATOM 58 C ILE A 4 -7.718 0.535 1.105 1.00 0.00 C ATOM 59 O ILE A 4 -8.824 1.076 1.092 1.00 0.00 O ATOM 60 CB ILE A 4 -7.290 -0.875 3.088 1.00 0.00 C ATOM 61 CG1 ILE A 4 -8.740 -0.863 3.595 1.00 0.00 C ATOM 62 CG2 ILE A 4 -6.322 -1.192 4.216 1.00 0.00 C ATOM 63 CD1 ILE A 4 -8.946 -0.190 4.941 1.00 0.00 C ATOM 0 HA ILE A 4 -5.845 0.429 2.183 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.213 -1.667 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.363 -0.360 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.093 -1.892 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.613 -2.128 4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.313 -1.288 3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.344 -0.388 4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.001 -0.233 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.356 -0.704 5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.629 0.851 4.879 1.00 0.00 H new ATOM 75 N ILE A 5 -7.149 0.049 0.027 1.00 0.00 N ATOM 76 CA ILE A 5 -7.884 -0.091 -1.211 1.00 0.00 C ATOM 77 C ILE A 5 -8.336 -1.537 -1.319 1.00 0.00 C ATOM 78 O ILE A 5 -7.732 -2.418 -0.711 1.00 0.00 O ATOM 79 CB ILE A 5 -7.019 0.269 -2.437 1.00 0.00 C ATOM 80 CG1 ILE A 5 -6.232 1.557 -2.177 1.00 0.00 C ATOM 81 CG2 ILE A 5 -7.885 0.422 -3.683 1.00 0.00 C ATOM 82 CD1 ILE A 5 -5.258 1.906 -3.282 1.00 0.00 C ATOM 0 H ILE A 5 -6.177 -0.257 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.732 0.593 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.313 -0.544 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.933 2.382 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.684 1.455 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.255 0.676 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.405 -0.515 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.616 1.215 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.737 2.829 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.533 1.100 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.802 2.040 -4.217 1.00 0.00 H new ATOM 94 N GLU A 6 -9.395 -1.792 -2.056 1.00 0.00 N ATOM 95 CA GLU A 6 -9.841 -3.149 -2.262 1.00 0.00 C ATOM 96 C GLU A 6 -9.659 -3.537 -3.722 1.00 0.00 C ATOM 97 O GLU A 6 -9.818 -2.701 -4.612 1.00 0.00 O ATOM 98 CB GLU A 6 -11.301 -3.311 -1.845 1.00 0.00 C ATOM 99 CG GLU A 6 -11.589 -2.889 -0.414 1.00 0.00 C ATOM 100 CD GLU A 6 -12.030 -1.448 -0.303 1.00 0.00 C ATOM 101 OE1 GLU A 6 -12.841 -1.004 -1.145 1.00 0.00 O ATOM 102 OE2 GLU A 6 -11.568 -0.750 0.615 1.00 0.00 O ATOM 0 H GLU A 6 -9.960 -1.080 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.238 -3.811 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.927 -2.725 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.589 -4.355 -1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.364 -3.534 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.694 -3.037 0.190 1.00 0.00 H new ATOM 109 N ALA A 7 -9.306 -4.792 -3.960 1.00 0.00 N ATOM 110 CA ALA A 7 -9.070 -5.283 -5.308 1.00 0.00 C ATOM 111 C ALA A 7 -9.544 -6.727 -5.440 1.00 0.00 C ATOM 112 O ALA A 7 -9.741 -7.419 -4.436 1.00 0.00 O ATOM 113 CB ALA A 7 -7.589 -5.190 -5.646 1.00 0.00 C ATOM 0 H ALA A 7 -9.176 -5.493 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.634 -4.665 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.423 -5.560 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.266 -4.151 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.016 -5.792 -4.941 1.00 0.00 H new ATOM 119 N VAL A 8 -9.749 -7.160 -6.673 1.00 0.00 N ATOM 120 CA VAL A 8 -10.086 -8.527 -6.975 1.00 0.00 C ATOM 121 C VAL A 8 -9.053 -9.136 -7.930 1.00 0.00 C ATOM 122 O VAL A 8 -8.875 -8.686 -9.063 1.00 0.00 O ATOM 123 CB VAL A 8 -11.500 -8.625 -7.582 1.00 0.00 C ATOM 124 CG1 VAL A 8 -12.558 -8.414 -6.513 1.00 0.00 C ATOM 125 CG2 VAL A 8 -11.693 -7.627 -8.718 1.00 0.00 C ATOM 0 H VAL A 8 -9.684 -6.560 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.075 -9.091 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.610 -9.628 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.549 -8.487 -6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.452 -9.176 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.433 -7.427 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.701 -7.725 -9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.550 -6.614 -8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.966 -7.827 -9.505 1.00 0.00 H new ATOM 135 N TYR A 9 -8.341 -10.130 -7.437 1.00 0.00 N ATOM 136 CA TYR A 9 -7.335 -10.844 -8.223 1.00 0.00 C ATOM 137 C TYR A 9 -7.998 -11.790 -9.216 1.00 0.00 C ATOM 138 O TYR A 9 -8.678 -12.730 -8.823 1.00 0.00 O ATOM 139 CB TYR A 9 -6.433 -11.635 -7.261 1.00 0.00 C ATOM 140 CG TYR A 9 -5.219 -12.290 -7.892 1.00 0.00 C ATOM 141 CD1 TYR A 9 -4.066 -11.558 -8.136 1.00 0.00 C ATOM 142 CD2 TYR A 9 -5.211 -13.642 -8.212 1.00 0.00 C ATOM 143 CE1 TYR A 9 -2.946 -12.141 -8.689 1.00 0.00 C ATOM 144 CE2 TYR A 9 -4.089 -14.237 -8.763 1.00 0.00 C ATOM 145 CZ TYR A 9 -2.957 -13.480 -8.998 1.00 0.00 C ATOM 146 OH TYR A 9 -1.834 -14.060 -9.544 1.00 0.00 O ATOM 0 H TYR A 9 -8.438 -10.471 -6.481 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.741 -10.127 -8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.093 -10.962 -6.474 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.033 -12.408 -6.782 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.045 -10.507 -7.887 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.093 -14.238 -8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.064 -11.548 -8.879 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.098 -15.289 -9.008 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.773 -14.993 -9.251 1.00 0.00 H new ATOM 156 N GLU A 10 -7.828 -11.516 -10.502 1.00 0.00 N ATOM 157 CA GLU A 10 -8.120 -12.493 -11.524 1.00 0.00 C ATOM 158 C GLU A 10 -6.787 -12.952 -11.983 1.00 0.00 C ATOM 159 O GLU A 10 -5.929 -12.127 -12.210 1.00 0.00 O ATOM 160 CB GLU A 10 -8.979 -11.942 -12.664 1.00 0.00 C ATOM 161 CG GLU A 10 -8.412 -10.725 -13.359 1.00 0.00 C ATOM 162 CD GLU A 10 -9.030 -10.498 -14.722 1.00 0.00 C ATOM 163 OE1 GLU A 10 -10.147 -9.942 -14.797 1.00 0.00 O ATOM 164 OE2 GLU A 10 -8.398 -10.868 -15.730 1.00 0.00 O ATOM 0 H GLU A 10 -7.488 -10.622 -10.856 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.727 -13.310 -11.134 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.124 -12.730 -13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.963 -11.691 -12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.577 -9.845 -12.737 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.334 -10.841 -13.467 1.00 0.00 H new ATOM 171 N ASN A 11 -6.602 -14.251 -12.081 1.00 0.00 N ATOM 172 CA ASN A 11 -5.280 -14.816 -11.865 1.00 0.00 C ATOM 173 C ASN A 11 -4.267 -14.613 -12.949 1.00 0.00 C ATOM 174 O ASN A 11 -3.779 -15.527 -13.614 1.00 0.00 O ATOM 175 CB ASN A 11 -5.345 -16.233 -11.443 1.00 0.00 C ATOM 176 CG ASN A 11 -5.849 -17.216 -12.504 1.00 0.00 C ATOM 177 OD1 ASN A 11 -6.651 -16.739 -13.450 1.00 0.00 O flip ATOM 178 ND2 ASN A 11 -5.499 -18.396 -12.483 1.00 0.00 N flip ATOM 0 H ASN A 11 -7.332 -14.928 -12.304 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.893 -14.211 -11.045 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.350 -16.546 -11.127 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.994 -16.304 -10.570 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.882 -18.732 -11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.826 -19.038 -13.205 1.00 0.00 H new ATOM 185 N GLY A 12 -4.006 -13.379 -13.100 1.00 0.00 N ATOM 186 CA GLY A 12 -2.736 -12.920 -13.527 1.00 0.00 C ATOM 187 C GLY A 12 -2.437 -11.649 -12.788 1.00 0.00 C ATOM 188 O GLY A 12 -1.326 -11.126 -12.853 1.00 0.00 O ATOM 0 H GLY A 12 -4.681 -12.634 -12.928 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.971 -13.669 -13.324 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.734 -12.746 -14.603 1.00 0.00 H new ATOM 192 N VAL A 13 -3.446 -11.157 -12.036 1.00 0.00 N ATOM 193 CA VAL A 13 -3.496 -9.731 -11.716 1.00 0.00 C ATOM 194 C VAL A 13 -4.388 -9.426 -10.518 1.00 0.00 C ATOM 195 O VAL A 13 -5.369 -10.119 -10.264 1.00 0.00 O ATOM 196 CB VAL A 13 -4.077 -8.939 -12.914 1.00 0.00 C ATOM 197 CG1 VAL A 13 -3.294 -9.188 -14.188 1.00 0.00 C ATOM 198 CG2 VAL A 13 -5.518 -9.333 -13.137 1.00 0.00 C ATOM 0 H VAL A 13 -4.210 -11.714 -11.654 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.471 -9.439 -11.488 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.006 -7.879 -12.671 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.734 -8.614 -15.004 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.258 -8.880 -14.045 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.326 -10.250 -14.433 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.922 -8.773 -13.981 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.575 -10.401 -13.350 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.099 -9.110 -12.242 1.00 0.00 H new ATOM 208 N PHE A 14 -4.049 -8.374 -9.797 1.00 0.00 N ATOM 209 CA PHE A 14 -4.951 -7.790 -8.827 1.00 0.00 C ATOM 210 C PHE A 14 -5.614 -6.571 -9.458 1.00 0.00 C ATOM 211 O PHE A 14 -4.941 -5.607 -9.820 1.00 0.00 O ATOM 212 CB PHE A 14 -4.208 -7.369 -7.556 1.00 0.00 C ATOM 213 CG PHE A 14 -3.808 -8.495 -6.647 1.00 0.00 C ATOM 214 CD1 PHE A 14 -4.736 -9.061 -5.793 1.00 0.00 C ATOM 215 CD2 PHE A 14 -2.507 -8.973 -6.627 1.00 0.00 C ATOM 216 CE1 PHE A 14 -4.380 -10.082 -4.935 1.00 0.00 C ATOM 217 CE2 PHE A 14 -2.143 -9.999 -5.771 1.00 0.00 C ATOM 218 CZ PHE A 14 -3.085 -10.555 -4.922 1.00 0.00 C ATOM 0 H PHE A 14 -3.146 -7.904 -9.867 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.697 -8.533 -8.546 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.312 -6.819 -7.843 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.840 -6.679 -6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.754 -8.699 -5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.769 -8.540 -7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.117 -10.511 -4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.127 -10.365 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.807 -11.356 -4.253 1.00 0.00 H new ATOM 228 N LYS A 15 -6.921 -6.628 -9.616 1.00 0.00 N ATOM 229 CA LYS A 15 -7.676 -5.536 -10.213 1.00 0.00 C ATOM 230 C LYS A 15 -8.512 -4.840 -9.166 1.00 0.00 C ATOM 231 O LYS A 15 -9.457 -5.425 -8.660 1.00 0.00 O ATOM 232 CB LYS A 15 -8.607 -6.073 -11.287 1.00 0.00 C ATOM 233 CG LYS A 15 -7.908 -6.466 -12.565 1.00 0.00 C ATOM 234 CD LYS A 15 -8.810 -7.328 -13.426 1.00 0.00 C ATOM 235 CE LYS A 15 -10.142 -6.651 -13.712 1.00 0.00 C ATOM 236 NZ LYS A 15 -10.055 -5.701 -14.851 1.00 0.00 N ATOM 0 H LYS A 15 -7.491 -7.427 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.966 -4.832 -10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.137 -6.940 -10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.358 -5.316 -11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.617 -5.572 -13.116 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.992 -7.009 -12.332 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.307 -7.551 -14.367 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.987 -8.280 -12.926 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.894 -7.409 -13.930 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.476 -6.118 -12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.985 -5.263 -15.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.357 -4.961 -14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.762 -6.212 -15.708 1.00 0.00 H new ATOM 250 N PRO A 16 -8.191 -3.595 -8.820 1.00 0.00 N ATOM 251 CA PRO A 16 -8.939 -2.869 -7.804 1.00 0.00 C ATOM 252 C PRO A 16 -10.428 -2.813 -8.060 1.00 0.00 C ATOM 253 O PRO A 16 -10.943 -3.061 -9.150 1.00 0.00 O ATOM 254 CB PRO A 16 -8.368 -1.445 -7.872 1.00 0.00 C ATOM 255 CG PRO A 16 -7.505 -1.401 -9.093 1.00 0.00 C ATOM 256 CD PRO A 16 -7.085 -2.810 -9.363 1.00 0.00 C ATOM 0 HA PRO A 16 -8.834 -3.362 -6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.168 -0.707 -7.934 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.789 -1.214 -6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.052 -0.990 -9.941 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.637 -0.761 -8.933 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.946 -2.992 -10.429 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.141 -3.050 -8.873 1.00 0.00 H new ATOM 264 N LEU A 17 -11.069 -2.442 -7.003 1.00 0.00 N ATOM 265 CA LEU A 17 -12.428 -2.015 -6.970 1.00 0.00 C ATOM 266 C LEU A 17 -12.355 -0.530 -7.107 1.00 0.00 C ATOM 267 O LEU A 17 -12.808 0.062 -8.090 1.00 0.00 O ATOM 268 CB LEU A 17 -13.113 -2.429 -5.666 1.00 0.00 C ATOM 269 CG LEU A 17 -13.192 -3.940 -5.432 1.00 0.00 C ATOM 270 CD1 LEU A 17 -13.865 -4.240 -4.106 1.00 0.00 C ATOM 271 CD2 LEU A 17 -13.942 -4.619 -6.569 1.00 0.00 C ATOM 0 H LEU A 17 -10.631 -2.428 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.024 -2.470 -7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.579 -1.974 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.124 -2.021 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.176 -4.334 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.912 -5.319 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.292 -3.787 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.875 -3.830 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.988 -5.692 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.954 -4.218 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.422 -4.434 -7.509 1.00 0.00 H new ATOM 283 N GLN A 18 -11.789 0.054 -6.073 1.00 0.00 N ATOM 284 CA GLN A 18 -11.671 1.505 -5.995 1.00 0.00 C ATOM 285 C GLN A 18 -10.824 1.987 -7.162 1.00 0.00 C ATOM 286 O GLN A 18 -9.764 1.422 -7.433 1.00 0.00 O ATOM 287 CB GLN A 18 -11.017 1.963 -4.692 1.00 0.00 C ATOM 288 CG GLN A 18 -11.729 1.525 -3.426 1.00 0.00 C ATOM 289 CD GLN A 18 -11.126 2.164 -2.189 1.00 0.00 C ATOM 290 OE1 GLN A 18 -11.136 1.443 -1.083 1.00 0.00 O flip ATOM 291 NE2 GLN A 18 -10.643 3.297 -2.229 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.402 -0.447 -5.273 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.676 1.926 -6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.995 1.586 -4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.955 3.051 -4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.785 1.789 -3.493 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.677 0.440 -3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.653 3.825 -3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.233 3.707 -1.390 1.00 0.00 H new ATOM 300 N LYS A 19 -11.289 3.014 -7.852 1.00 0.00 N ATOM 301 CA LYS A 19 -10.580 3.504 -9.019 1.00 0.00 C ATOM 302 C LYS A 19 -9.235 4.082 -8.618 1.00 0.00 C ATOM 303 O LYS A 19 -9.102 4.762 -7.594 1.00 0.00 O ATOM 304 CB LYS A 19 -11.430 4.513 -9.780 1.00 0.00 C ATOM 305 CG LYS A 19 -12.750 3.918 -10.228 1.00 0.00 C ATOM 306 CD LYS A 19 -13.519 4.857 -11.135 1.00 0.00 C ATOM 307 CE LYS A 19 -14.964 4.405 -11.309 1.00 0.00 C ATOM 308 NZ LYS A 19 -15.067 2.991 -11.765 1.00 0.00 N ATOM 0 H LYS A 19 -12.146 3.520 -7.627 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.390 2.669 -9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.619 5.379 -9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.879 4.869 -10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.565 2.980 -10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.356 3.682 -9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.499 5.864 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.032 4.905 -12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.493 4.518 -10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.460 5.054 -12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.047 2.788 -12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.435 2.841 -12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.790 2.355 -10.990 1.00 0.00 H new ATOM 322 N VAL A 20 -8.244 3.790 -9.431 1.00 0.00 N ATOM 323 CA VAL A 20 -6.856 4.019 -9.065 1.00 0.00 C ATOM 324 C VAL A 20 -6.249 5.201 -9.795 1.00 0.00 C ATOM 325 O VAL A 20 -6.584 5.502 -10.943 1.00 0.00 O ATOM 326 CB VAL A 20 -6.016 2.742 -9.303 1.00 0.00 C ATOM 327 CG1 VAL A 20 -6.283 2.159 -10.685 1.00 0.00 C ATOM 328 CG2 VAL A 20 -4.533 2.987 -9.106 1.00 0.00 C ATOM 0 H VAL A 20 -8.372 3.389 -10.360 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.842 4.263 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.329 2.015 -8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.679 1.262 -10.825 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.339 1.903 -10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.022 2.894 -11.447 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.985 2.062 -9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.194 3.750 -9.807 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.352 3.325 -8.086 1.00 0.00 H new ATOM 338 N ASP A 21 -5.355 5.863 -9.090 1.00 0.00 N ATOM 339 CA ASP A 21 -4.661 7.035 -9.595 1.00 0.00 C ATOM 340 C ASP A 21 -3.175 6.905 -9.288 1.00 0.00 C ATOM 341 O ASP A 21 -2.400 7.851 -9.398 1.00 0.00 O ATOM 342 CB ASP A 21 -5.254 8.276 -8.932 1.00 0.00 C ATOM 343 CG ASP A 21 -4.720 9.582 -9.488 1.00 0.00 C ATOM 344 OD1 ASP A 21 -4.997 9.898 -10.665 1.00 0.00 O ATOM 345 OD2 ASP A 21 -4.038 10.310 -8.740 1.00 0.00 O ATOM 0 H ASP A 21 -5.086 5.602 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.781 7.122 -10.675 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.337 8.257 -9.051 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.050 8.237 -7.862 1.00 0.00 H new ATOM 350 N LEU A 22 -2.798 5.693 -8.917 1.00 0.00 N ATOM 351 CA LEU A 22 -1.421 5.380 -8.558 1.00 0.00 C ATOM 352 C LEU A 22 -0.506 5.340 -9.787 1.00 0.00 C ATOM 353 O LEU A 22 -0.937 5.598 -10.914 1.00 0.00 O ATOM 354 CB LEU A 22 -1.374 4.041 -7.822 1.00 0.00 C ATOM 355 CG LEU A 22 -2.064 4.019 -6.457 1.00 0.00 C ATOM 356 CD1 LEU A 22 -1.972 2.635 -5.839 1.00 0.00 C ATOM 357 CD2 LEU A 22 -1.445 5.055 -5.532 1.00 0.00 C ATOM 0 H LEU A 22 -3.435 4.898 -8.856 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.055 6.172 -7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.833 3.281 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.331 3.756 -7.688 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.116 4.266 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.468 2.636 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.458 1.911 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.924 2.363 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.948 5.026 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.386 4.836 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.557 6.047 -5.970 1.00 0.00 H new ATOM 369 N LYS A 23 0.757 4.993 -9.563 1.00 0.00 N ATOM 370 CA LYS A 23 1.764 5.034 -10.610 1.00 0.00 C ATOM 371 C LYS A 23 2.457 3.687 -10.760 1.00 0.00 C ATOM 372 O LYS A 23 2.345 2.826 -9.891 1.00 0.00 O ATOM 373 CB LYS A 23 2.784 6.125 -10.295 1.00 0.00 C ATOM 374 CG LYS A 23 3.144 6.209 -8.820 1.00 0.00 C ATOM 375 CD LYS A 23 4.201 7.267 -8.555 1.00 0.00 C ATOM 376 CE LYS A 23 4.440 7.443 -7.063 1.00 0.00 C ATOM 377 NZ LYS A 23 4.735 6.148 -6.389 1.00 0.00 N ATOM 0 H LYS A 23 1.107 4.678 -8.658 1.00 0.00 H new ATOM 0 HA LYS A 23 1.272 5.261 -11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.690 5.942 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.388 7.087 -10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.249 6.436 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.507 5.239 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.133 6.985 -9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.887 8.216 -8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.272 8.130 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.561 7.898 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.486 6.287 -5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.877 5.799 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.049 5.452 -7.096 1.00 0.00 H new ATOM 391 N GLU A 24 3.172 3.513 -11.866 1.00 0.00 N ATOM 392 CA GLU A 24 3.844 2.264 -12.158 1.00 0.00 C ATOM 393 C GLU A 24 4.961 1.994 -11.173 1.00 0.00 C ATOM 394 O GLU A 24 5.684 2.899 -10.749 1.00 0.00 O ATOM 395 CB GLU A 24 4.390 2.275 -13.582 1.00 0.00 C ATOM 396 CG GLU A 24 3.352 2.009 -14.666 1.00 0.00 C ATOM 397 CD GLU A 24 2.207 2.998 -14.654 1.00 0.00 C ATOM 398 OE1 GLU A 24 2.434 4.175 -15.005 1.00 0.00 O ATOM 399 OE2 GLU A 24 1.080 2.603 -14.295 1.00 0.00 O ATOM 0 H GLU A 24 3.298 4.232 -12.578 1.00 0.00 H new ATOM 0 HA GLU A 24 3.111 1.462 -12.064 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.853 3.244 -13.771 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.177 1.525 -13.660 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.839 2.039 -15.641 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.954 1.002 -14.539 1.00 0.00 H new ATOM 406 N GLY A 25 5.096 0.723 -10.852 1.00 0.00 N ATOM 407 CA GLY A 25 5.929 0.297 -9.764 1.00 0.00 C ATOM 408 C GLY A 25 5.553 1.027 -8.501 1.00 0.00 C ATOM 409 O GLY A 25 6.325 1.815 -7.957 1.00 0.00 O ATOM 0 H GLY A 25 4.628 -0.038 -11.343 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.824 -0.778 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.976 0.485 -10.003 1.00 0.00 H new ATOM 413 N GLU A 26 4.352 0.754 -8.052 1.00 0.00 N ATOM 414 CA GLU A 26 3.881 1.201 -6.772 1.00 0.00 C ATOM 415 C GLU A 26 3.835 0.006 -5.826 1.00 0.00 C ATOM 416 O GLU A 26 3.205 -1.011 -6.144 1.00 0.00 O ATOM 417 CB GLU A 26 2.499 1.807 -6.971 1.00 0.00 C ATOM 418 CG GLU A 26 1.966 2.520 -5.766 1.00 0.00 C ATOM 419 CD GLU A 26 2.707 3.809 -5.481 1.00 0.00 C ATOM 420 OE1 GLU A 26 2.377 4.840 -6.104 1.00 0.00 O ATOM 421 OE2 GLU A 26 3.631 3.801 -4.642 1.00 0.00 O ATOM 0 H GLU A 26 3.668 0.207 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 26 4.539 1.953 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.537 2.506 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.803 1.015 -7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.908 2.738 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.037 1.864 -4.898 1.00 0.00 H new ATOM 428 N ARG A 27 4.515 0.112 -4.682 1.00 0.00 N ATOM 429 CA ARG A 27 4.664 -1.038 -3.796 1.00 0.00 C ATOM 430 C ARG A 27 3.574 -1.136 -2.759 1.00 0.00 C ATOM 431 O ARG A 27 3.513 -0.404 -1.757 1.00 0.00 O ATOM 432 CB ARG A 27 6.016 -1.093 -3.111 1.00 0.00 C ATOM 433 CG ARG A 27 7.098 -1.695 -3.983 1.00 0.00 C ATOM 434 CD ARG A 27 7.791 -0.651 -4.830 1.00 0.00 C ATOM 435 NE ARG A 27 9.015 -0.182 -4.184 1.00 0.00 N ATOM 436 CZ ARG A 27 9.910 0.627 -4.750 1.00 0.00 C ATOM 437 NH1 ARG A 27 9.713 1.095 -5.973 1.00 0.00 N ATOM 438 NH2 ARG A 27 11.000 0.979 -4.078 1.00 0.00 N ATOM 0 H ARG A 27 4.963 0.968 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 27 4.581 -1.897 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.311 -0.085 -2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.929 -1.677 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.833 -2.197 -3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.660 -2.455 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.029 -1.070 -5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.119 0.190 -4.999 1.00 0.00 H new ATOM 0 HE ARG A 27 9.197 -0.497 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.872 0.837 -6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.403 1.714 -6.400 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.150 0.630 -3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.687 1.598 -4.509 1.00 0.00 H new ATOM 452 N VAL A 28 2.785 -2.136 -2.978 1.00 0.00 N ATOM 453 CA VAL A 28 1.626 -2.400 -2.160 1.00 0.00 C ATOM 454 C VAL A 28 1.711 -3.794 -1.577 1.00 0.00 C ATOM 455 O VAL A 28 2.320 -4.689 -2.170 1.00 0.00 O ATOM 456 CB VAL A 28 0.316 -2.268 -2.966 1.00 0.00 C ATOM 457 CG1 VAL A 28 0.115 -0.838 -3.440 1.00 0.00 C ATOM 458 CG2 VAL A 28 0.314 -3.227 -4.150 1.00 0.00 C ATOM 0 H VAL A 28 2.920 -2.805 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 28 1.614 -1.659 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.513 -2.530 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.814 -0.769 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.065 -0.173 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.950 -0.545 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.618 -3.118 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.155 -2.998 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.403 -4.251 -3.789 1.00 0.00 H new ATOM 468 N LYS A 29 1.144 -3.965 -0.404 1.00 0.00 N ATOM 469 CA LYS A 29 1.040 -5.263 0.201 1.00 0.00 C ATOM 470 C LYS A 29 -0.370 -5.761 0.045 1.00 0.00 C ATOM 471 O LYS A 29 -1.330 -4.998 0.187 1.00 0.00 O ATOM 472 CB LYS A 29 1.385 -5.208 1.680 1.00 0.00 C ATOM 473 CG LYS A 29 2.845 -4.941 1.967 1.00 0.00 C ATOM 474 CD LYS A 29 3.721 -6.058 1.447 1.00 0.00 C ATOM 475 CE LYS A 29 5.160 -5.869 1.883 1.00 0.00 C ATOM 476 NZ LYS A 29 5.743 -4.609 1.357 1.00 0.00 N ATOM 0 H LYS A 29 0.745 -3.208 0.151 1.00 0.00 H new ATOM 0 HA LYS A 29 1.743 -5.934 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.785 -4.430 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.102 -6.154 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.142 -3.999 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.992 -4.831 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.350 -7.016 1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.668 -6.089 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.211 -5.864 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.756 -6.715 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.759 -4.577 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.612 -4.570 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.267 -3.796 1.797 1.00 0.00 H new ATOM 490 N ILE A 30 -0.495 -7.022 -0.264 1.00 0.00 N ATOM 491 CA ILE A 30 -1.793 -7.643 -0.316 1.00 0.00 C ATOM 492 C ILE A 30 -2.064 -8.245 1.031 1.00 0.00 C ATOM 493 O ILE A 30 -1.233 -8.964 1.587 1.00 0.00 O ATOM 494 CB ILE A 30 -1.901 -8.740 -1.377 1.00 0.00 C ATOM 495 CG1 ILE A 30 -1.311 -8.274 -2.712 1.00 0.00 C ATOM 496 CG2 ILE A 30 -3.350 -9.167 -1.551 1.00 0.00 C ATOM 497 CD1 ILE A 30 -2.011 -7.071 -3.314 1.00 0.00 C ATOM 0 H ILE A 30 0.285 -7.641 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.519 -6.876 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.323 -9.600 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.258 -8.033 -2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.354 -9.099 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.411 -9.948 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.733 -9.549 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.947 -8.310 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.532 -6.806 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.059 -7.312 -3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.946 -6.229 -2.624 1.00 0.00 H new ATOM 509 N LYS A 31 -3.214 -7.944 1.543 1.00 0.00 N ATOM 510 CA LYS A 31 -3.546 -8.292 2.900 1.00 0.00 C ATOM 511 C LYS A 31 -4.951 -8.840 2.968 1.00 0.00 C ATOM 512 O LYS A 31 -5.881 -8.303 2.365 1.00 0.00 O ATOM 513 CB LYS A 31 -3.396 -7.068 3.803 1.00 0.00 C ATOM 514 CG LYS A 31 -2.524 -7.307 5.027 1.00 0.00 C ATOM 515 CD LYS A 31 -1.965 -6.000 5.562 1.00 0.00 C ATOM 516 CE LYS A 31 -0.990 -6.235 6.705 1.00 0.00 C ATOM 517 NZ LYS A 31 -0.299 -4.982 7.116 1.00 0.00 N ATOM 0 H LYS A 31 -3.952 -7.452 1.040 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.861 -9.065 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.972 -6.250 3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.385 -6.747 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.108 -7.801 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.705 -7.978 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.462 -5.463 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.783 -5.367 5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.526 -6.650 7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.249 -6.975 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.356 -5.187 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.234 -4.599 6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.003 -4.284 7.429 1.00 0.00 H new ATOM 531 N LEU A 32 -5.081 -9.922 3.690 1.00 0.00 N ATOM 532 CA LEU A 32 -6.354 -10.571 3.882 1.00 0.00 C ATOM 533 C LEU A 32 -6.868 -10.217 5.264 1.00 0.00 C ATOM 534 O LEU A 32 -6.147 -10.336 6.247 1.00 0.00 O ATOM 535 CB LEU A 32 -6.187 -12.077 3.681 1.00 0.00 C ATOM 536 CG LEU A 32 -5.710 -12.460 2.273 1.00 0.00 C ATOM 537 CD1 LEU A 32 -5.409 -13.943 2.162 1.00 0.00 C ATOM 538 CD2 LEU A 32 -6.748 -12.055 1.238 1.00 0.00 C ATOM 0 H LEU A 32 -4.304 -10.381 4.164 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.090 -10.231 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.474 -12.456 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.139 -12.569 3.879 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.782 -11.921 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.075 -14.172 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.626 -14.209 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.310 -14.515 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.398 -12.332 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.688 -12.565 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.903 -10.977 1.281 1.00 0.00 H new ATOM 606 N VAL A 36 -9.318 -7.246 15.183 1.00 0.00 N ATOM 607 CA VAL A 36 -8.400 -6.774 16.214 1.00 0.00 C ATOM 608 C VAL A 36 -8.499 -7.638 17.472 1.00 0.00 C ATOM 609 O VAL A 36 -9.529 -8.265 17.734 1.00 0.00 O ATOM 610 CB VAL A 36 -8.671 -5.292 16.566 1.00 0.00 C ATOM 611 CG1 VAL A 36 -10.055 -5.113 17.170 1.00 0.00 C ATOM 612 CG2 VAL A 36 -7.598 -4.731 17.497 1.00 0.00 C ATOM 0 HA VAL A 36 -7.389 -6.855 15.815 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.632 -4.727 15.635 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -10.215 -4.061 17.407 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -10.809 -5.443 16.456 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -10.134 -5.706 18.081 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.821 -3.688 17.723 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.582 -5.307 18.422 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.624 -4.797 17.011 1.00 0.00 H new ATOM 622 N GLU A 37 -7.416 -7.673 18.234 1.00 0.00 N ATOM 623 CA GLU A 37 -7.329 -8.473 19.441 1.00 0.00 C ATOM 624 C GLU A 37 -7.976 -7.758 20.627 1.00 0.00 C ATOM 625 O GLU A 37 -8.138 -6.535 20.608 1.00 0.00 O ATOM 626 CB GLU A 37 -5.859 -8.743 19.751 1.00 0.00 C ATOM 627 CG GLU A 37 -5.025 -7.474 19.877 1.00 0.00 C ATOM 628 CD GLU A 37 -3.629 -7.737 20.389 1.00 0.00 C ATOM 629 OE1 GLU A 37 -2.812 -8.312 19.637 1.00 0.00 O ATOM 630 OE2 GLU A 37 -3.331 -7.349 21.536 1.00 0.00 O ATOM 0 H GLU A 37 -6.569 -7.143 18.029 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.862 -9.409 19.278 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.789 -9.309 20.680 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.438 -9.369 18.964 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.964 -6.987 18.904 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.528 -6.780 20.550 1.00 0.00 H new ATOM 637 N PRO A 38 -8.352 -8.511 21.679 1.00 0.00 N ATOM 638 CA PRO A 38 -8.871 -7.933 22.921 1.00 0.00 C ATOM 639 C PRO A 38 -7.769 -7.297 23.773 1.00 0.00 C ATOM 640 O PRO A 38 -6.588 -7.341 23.419 1.00 0.00 O ATOM 641 CB PRO A 38 -9.481 -9.137 23.641 1.00 0.00 C ATOM 642 CG PRO A 38 -8.702 -10.307 23.147 1.00 0.00 C ATOM 643 CD PRO A 38 -8.327 -9.987 21.726 1.00 0.00 C ATOM 0 HA PRO A 38 -9.581 -7.127 22.733 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.399 -9.035 24.723 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.541 -9.241 23.410 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.814 -10.470 23.757 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.295 -11.220 23.198 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.341 -10.379 21.474 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.033 -10.422 21.018 1.00 0.00 H new ATOM 651 N ILE A 39 -8.161 -6.718 24.898 1.00 0.00 N ATOM 652 CA ILE A 39 -7.230 -6.024 25.768 1.00 0.00 C ATOM 653 C ILE A 39 -6.446 -6.994 26.647 1.00 0.00 C ATOM 654 O ILE A 39 -6.697 -8.200 26.641 1.00 0.00 O ATOM 655 CB ILE A 39 -7.970 -5.014 26.662 1.00 0.00 C ATOM 656 CG1 ILE A 39 -9.077 -5.714 27.457 1.00 0.00 C ATOM 657 CG2 ILE A 39 -8.535 -3.881 25.820 1.00 0.00 C ATOM 658 CD1 ILE A 39 -9.807 -4.805 28.426 1.00 0.00 C ATOM 0 H ILE A 39 -9.126 -6.717 25.230 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.527 -5.496 25.124 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.262 -4.589 27.373 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.799 -6.139 26.759 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.642 -6.545 28.012 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.056 -3.173 26.465 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.722 -3.371 25.304 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.233 -4.286 25.087 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.575 -5.374 28.950 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.099 -4.400 29.149 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.273 -3.987 27.877 1.00 0.00 H new ATOM 670 N ASP A 40 -5.497 -6.440 27.393 1.00 0.00 N ATOM 671 CA ASP A 40 -4.648 -7.206 28.289 1.00 0.00 C ATOM 672 C ASP A 40 -5.456 -7.864 29.399 1.00 0.00 C ATOM 673 O ASP A 40 -6.147 -7.190 30.168 1.00 0.00 O ATOM 674 CB ASP A 40 -3.586 -6.290 28.903 1.00 0.00 C ATOM 675 CG ASP A 40 -2.387 -6.063 28.005 1.00 0.00 C ATOM 676 OD1 ASP A 40 -2.488 -5.254 27.057 1.00 0.00 O ATOM 677 OD2 ASP A 40 -1.326 -6.678 28.258 1.00 0.00 O ATOM 0 H ASP A 40 -5.296 -5.440 27.391 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.170 -7.993 27.706 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.041 -5.328 29.138 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.247 -6.721 29.845 1.00 0.00 H new ATOM 682 N LEU A 41 -5.366 -9.184 29.470 1.00 0.00 N ATOM 683 CA LEU A 41 -6.017 -9.949 30.524 1.00 0.00 C ATOM 684 C LEU A 41 -5.027 -10.939 31.127 1.00 0.00 C ATOM 685 O LEU A 41 -4.067 -11.341 30.465 1.00 0.00 O ATOM 686 CB LEU A 41 -7.240 -10.694 29.979 1.00 0.00 C ATOM 687 CG LEU A 41 -8.413 -9.808 29.553 1.00 0.00 C ATOM 688 CD1 LEU A 41 -9.504 -10.648 28.916 1.00 0.00 C ATOM 689 CD2 LEU A 41 -8.963 -9.043 30.748 1.00 0.00 C ATOM 0 H LEU A 41 -4.843 -9.752 28.803 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.354 -9.259 31.297 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.928 -11.291 29.122 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.590 -11.389 30.742 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.054 -9.088 28.817 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.332 -10.004 28.618 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.106 -11.157 28.038 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.860 -11.387 29.634 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.796 -8.418 30.428 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.308 -9.748 31.504 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.179 -8.414 31.170 1.00 0.00 H new ATOM 701 N GLY A 42 -5.254 -11.321 32.375 1.00 0.00 N ATOM 702 CA GLY A 42 -4.362 -12.251 33.034 1.00 0.00 C ATOM 703 C GLY A 42 -4.863 -12.656 34.405 1.00 0.00 C ATOM 704 O GLY A 42 -5.261 -11.807 35.202 1.00 0.00 O ATOM 0 H GLY A 42 -6.040 -11.003 32.943 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.246 -13.141 32.415 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.375 -11.798 33.130 1.00 0.00 H new ATOM 708 N GLU A 43 -4.861 -13.953 34.669 1.00 0.00 N ATOM 709 CA GLU A 43 -5.269 -14.480 35.960 1.00 0.00 C ATOM 710 C GLU A 43 -4.115 -14.427 36.964 1.00 0.00 C ATOM 711 O GLU A 43 -2.972 -14.758 36.634 1.00 0.00 O ATOM 712 CB GLU A 43 -5.791 -15.918 35.819 1.00 0.00 C ATOM 713 CG GLU A 43 -4.900 -16.837 34.986 1.00 0.00 C ATOM 714 CD GLU A 43 -5.220 -16.782 33.505 1.00 0.00 C ATOM 715 OE1 GLU A 43 -4.650 -15.925 32.796 1.00 0.00 O ATOM 716 OE2 GLU A 43 -6.055 -17.590 33.044 1.00 0.00 O ATOM 0 H GLU A 43 -4.578 -14.667 33.997 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.077 -13.854 36.337 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.906 -16.348 36.814 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.783 -15.888 35.368 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.857 -16.560 35.138 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.012 -17.862 35.339 1.00 0.00 H new ATOM 723 N PRO A 44 -4.403 -13.986 38.201 1.00 0.00 N ATOM 724 CA PRO A 44 -3.414 -13.918 39.272 1.00 0.00 C ATOM 725 C PRO A 44 -3.303 -15.228 40.052 1.00 0.00 C ATOM 726 O PRO A 44 -3.918 -16.234 39.691 1.00 0.00 O ATOM 727 CB PRO A 44 -3.973 -12.806 40.156 1.00 0.00 C ATOM 728 CG PRO A 44 -5.456 -12.931 40.024 1.00 0.00 C ATOM 729 CD PRO A 44 -5.724 -13.503 38.652 1.00 0.00 C ATOM 0 HA PRO A 44 -2.405 -13.736 38.903 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.656 -12.925 41.192 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.627 -11.826 39.827 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.860 -13.581 40.800 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.938 -11.960 40.139 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.452 -14.313 38.693 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.125 -12.748 37.976 1.00 0.00 H new ATOM 737 N VAL A 45 -2.519 -15.206 41.120 1.00 0.00 N ATOM 738 CA VAL A 45 -2.329 -16.386 41.958 1.00 0.00 C ATOM 739 C VAL A 45 -3.071 -16.203 43.280 1.00 0.00 C ATOM 740 O VAL A 45 -3.296 -15.072 43.722 1.00 0.00 O ATOM 741 CB VAL A 45 -0.833 -16.650 42.247 1.00 0.00 C ATOM 742 CG1 VAL A 45 -0.625 -18.063 42.782 1.00 0.00 C ATOM 743 CG2 VAL A 45 0.015 -16.403 41.006 1.00 0.00 C ATOM 0 H VAL A 45 -2.002 -14.383 41.429 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.727 -17.244 41.416 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.509 -15.949 43.016 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.435 -18.226 42.978 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.188 -18.189 43.707 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.973 -18.786 42.044 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.063 -16.596 41.237 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.309 -17.069 40.206 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.101 -15.368 40.686 1.00 0.00 H new ATOM 753 N SER A 46 -3.455 -17.304 43.895 1.00 0.00 N ATOM 754 CA SER A 46 -4.172 -17.273 45.152 1.00 0.00 C ATOM 755 C SER A 46 -3.266 -17.692 46.309 1.00 0.00 C ATOM 756 O SER A 46 -2.056 -17.848 46.135 1.00 0.00 O ATOM 757 CB SER A 46 -5.378 -18.197 45.051 1.00 0.00 C ATOM 758 OG SER A 46 -6.199 -17.827 43.960 1.00 0.00 O ATOM 0 H SER A 46 -3.279 -18.243 43.537 1.00 0.00 H new ATOM 0 HA SER A 46 -4.506 -16.255 45.352 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.044 -19.227 44.929 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.953 -18.156 45.976 1.00 0.00 H new ATOM 0 HG SER A 46 -6.968 -18.432 43.909 1.00 0.00 H new ATOM 764 N VAL A 47 -3.862 -17.864 47.486 1.00 0.00 N ATOM 765 CA VAL A 47 -3.126 -18.246 48.688 1.00 0.00 C ATOM 766 C VAL A 47 -2.550 -19.661 48.553 1.00 0.00 C ATOM 767 O VAL A 47 -3.027 -20.459 47.738 1.00 0.00 O ATOM 768 CB VAL A 47 -4.048 -18.159 49.932 1.00 0.00 C ATOM 769 CG1 VAL A 47 -5.151 -19.204 49.870 1.00 0.00 C ATOM 770 CG2 VAL A 47 -3.256 -18.283 51.223 1.00 0.00 C ATOM 0 H VAL A 47 -4.864 -17.743 47.633 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.296 -17.551 48.813 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.514 -17.174 49.924 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.782 -19.120 50.755 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.755 -19.043 48.977 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.708 -20.199 49.834 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.934 -18.218 52.074 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.741 -19.243 51.243 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.524 -17.477 51.280 1.00 0.00 H new ATOM 780 N GLU A 48 -1.510 -19.953 49.330 1.00 0.00 N ATOM 781 CA GLU A 48 -0.882 -21.265 49.324 1.00 0.00 C ATOM 782 C GLU A 48 -1.877 -22.338 49.765 1.00 0.00 C ATOM 783 O GLU A 48 -2.509 -22.221 50.815 1.00 0.00 O ATOM 784 CB GLU A 48 0.347 -21.294 50.244 1.00 0.00 C ATOM 785 CG GLU A 48 1.303 -20.118 50.063 1.00 0.00 C ATOM 786 CD GLU A 48 0.980 -18.937 50.963 1.00 0.00 C ATOM 787 OE1 GLU A 48 -0.027 -18.248 50.709 1.00 0.00 O ATOM 788 OE2 GLU A 48 1.731 -18.698 51.936 1.00 0.00 O ATOM 0 H GLU A 48 -1.083 -19.289 49.977 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.559 -21.472 48.304 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.009 -21.314 51.280 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.894 -22.220 50.069 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.321 -20.452 50.265 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.274 -19.792 49.023 1.00 0.00 H new ATOM 795 N GLU A 49 -2.002 -23.380 48.959 1.00 0.00 N ATOM 796 CA GLU A 49 -2.949 -24.460 49.234 1.00 0.00 C ATOM 797 C GLU A 49 -2.464 -25.334 50.388 1.00 0.00 C ATOM 798 O GLU A 49 -3.252 -25.814 51.200 1.00 0.00 O ATOM 799 CB GLU A 49 -3.143 -25.319 47.982 1.00 0.00 C ATOM 800 CG GLU A 49 -4.261 -26.341 48.108 1.00 0.00 C ATOM 801 CD GLU A 49 -4.181 -27.419 47.050 1.00 0.00 C ATOM 802 OE1 GLU A 49 -4.314 -27.101 45.851 1.00 0.00 O ATOM 803 OE2 GLU A 49 -3.965 -28.593 47.411 1.00 0.00 O ATOM 0 H GLU A 49 -1.459 -23.505 48.105 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.901 -24.011 49.518 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.353 -24.667 47.134 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.211 -25.839 47.761 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.219 -26.801 49.095 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.223 -25.834 48.034 1.00 0.00 H new ATOM 810 N ILE A 50 -1.158 -25.508 50.460 1.00 0.00 N ATOM 811 CA ILE A 50 -0.544 -26.387 51.454 1.00 0.00 C ATOM 812 C ILE A 50 -0.437 -25.682 52.809 1.00 0.00 C ATOM 813 O ILE A 50 -0.027 -26.267 53.813 1.00 0.00 O ATOM 814 CB ILE A 50 0.855 -26.848 50.979 1.00 0.00 C ATOM 815 CG1 ILE A 50 1.408 -27.955 51.889 1.00 0.00 C ATOM 816 CG2 ILE A 50 1.816 -25.667 50.922 1.00 0.00 C ATOM 817 CD1 ILE A 50 2.760 -28.489 51.453 1.00 0.00 C ATOM 0 H ILE A 50 -0.491 -25.050 49.839 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.180 -27.264 51.571 1.00 0.00 H new ATOM 0 HB ILE A 50 0.754 -27.259 49.974 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.491 -27.569 52.905 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.695 -28.779 51.918 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.795 -26.010 50.586 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.434 -24.921 50.225 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.908 -25.224 51.914 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.084 -29.267 52.144 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.680 -28.906 50.449 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.488 -27.678 51.452 1.00 0.00 H new ATOM 829 N LYS A 51 -0.839 -24.427 52.825 1.00 0.00 N ATOM 830 CA LYS A 51 -0.739 -23.603 54.014 1.00 0.00 C ATOM 831 C LYS A 51 -1.906 -23.876 54.950 1.00 0.00 C ATOM 832 O LYS A 51 -3.058 -23.966 54.519 1.00 0.00 O ATOM 833 CB LYS A 51 -0.717 -22.132 53.613 1.00 0.00 C ATOM 834 CG LYS A 51 -0.245 -21.187 54.705 1.00 0.00 C ATOM 835 CD LYS A 51 -0.145 -19.771 54.172 1.00 0.00 C ATOM 836 CE LYS A 51 0.718 -18.887 55.052 1.00 0.00 C ATOM 837 NZ LYS A 51 1.061 -17.619 54.360 1.00 0.00 N ATOM 0 H LYS A 51 -1.243 -23.951 52.018 1.00 0.00 H new ATOM 0 HA LYS A 51 0.185 -23.847 54.539 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.069 -22.015 52.744 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.720 -21.838 53.304 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.938 -21.218 55.546 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.726 -21.511 55.080 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.269 -19.792 53.164 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.144 -19.341 54.097 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.191 -18.668 55.981 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.632 -19.417 55.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.876 -17.176 54.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.301 -17.819 53.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.247 -16.973 54.396 1.00 0.00 H new ATOM 1211 N ILE B 4 1.731 -11.156 3.828 1.00 0.00 N ATOM 1212 CA ILE B 4 1.528 -10.147 2.824 1.00 0.00 C ATOM 1213 C ILE B 4 2.387 -10.466 1.624 1.00 0.00 C ATOM 1214 O ILE B 4 3.589 -10.703 1.751 1.00 0.00 O ATOM 1215 CB ILE B 4 1.865 -8.720 3.301 1.00 0.00 C ATOM 1216 CG1 ILE B 4 3.242 -8.653 3.964 1.00 0.00 C ATOM 1217 CG2 ILE B 4 0.792 -8.181 4.220 1.00 0.00 C ATOM 1218 CD1 ILE B 4 3.243 -8.843 5.476 1.00 0.00 C ATOM 0 HA ILE B 4 0.466 -10.161 2.580 1.00 0.00 H new ATOM 0 HB ILE B 4 1.899 -8.085 2.416 1.00 0.00 H new ATOM 0 HG12 ILE B 4 3.880 -9.415 3.517 1.00 0.00 H new ATOM 0 HG13 ILE B 4 3.692 -7.687 3.735 1.00 0.00 H new ATOM 0 HG21 ILE B 4 1.059 -7.173 4.539 1.00 0.00 H new ATOM 0 HG22 ILE B 4 -0.160 -8.154 3.691 1.00 0.00 H new ATOM 0 HG23 ILE B 4 0.703 -8.827 5.094 1.00 0.00 H new ATOM 0 HD11 ILE B 4 4.265 -8.778 5.850 1.00 0.00 H new ATOM 0 HD12 ILE B 4 2.637 -8.066 5.941 1.00 0.00 H new ATOM 0 HD13 ILE B 4 2.828 -9.821 5.720 1.00 0.00 H new ATOM 1230 N ILE B 5 1.764 -10.526 0.479 1.00 0.00 N ATOM 1231 CA ILE B 5 2.473 -10.705 -0.740 1.00 0.00 C ATOM 1232 C ILE B 5 2.594 -9.362 -1.439 1.00 0.00 C ATOM 1233 O ILE B 5 1.633 -8.592 -1.500 1.00 0.00 O ATOM 1234 CB ILE B 5 1.753 -11.729 -1.629 1.00 0.00 C ATOM 1235 CG1 ILE B 5 0.293 -11.328 -1.849 1.00 0.00 C ATOM 1236 CG2 ILE B 5 1.847 -13.119 -1.014 1.00 0.00 C ATOM 1237 CD1 ILE B 5 -0.490 -12.306 -2.696 1.00 0.00 C ATOM 0 H ILE B 5 0.752 -10.451 0.374 1.00 0.00 H new ATOM 0 HA ILE B 5 3.472 -11.091 -0.536 1.00 0.00 H new ATOM 0 HB ILE B 5 2.244 -11.748 -2.602 1.00 0.00 H new ATOM 0 HG12 ILE B 5 -0.196 -11.229 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE B 5 0.263 -10.347 -2.323 1.00 0.00 H new ATOM 0 HG21 ILE B 5 1.332 -13.836 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE B 5 2.895 -13.405 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE B 5 1.381 -13.113 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -1.515 -11.952 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -0.027 -12.388 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE B 5 -0.493 -13.284 -2.214 1.00 0.00 H new ATOM 1249 N GLU B 6 3.781 -9.064 -1.916 1.00 0.00 N ATOM 1250 CA GLU B 6 4.043 -7.778 -2.514 1.00 0.00 C ATOM 1251 C GLU B 6 3.701 -7.784 -3.996 1.00 0.00 C ATOM 1252 O GLU B 6 3.954 -8.762 -4.708 1.00 0.00 O ATOM 1253 CB GLU B 6 5.503 -7.384 -2.290 1.00 0.00 C ATOM 1254 CG GLU B 6 5.907 -7.392 -0.825 1.00 0.00 C ATOM 1255 CD GLU B 6 6.509 -8.708 -0.377 1.00 0.00 C ATOM 1256 OE1 GLU B 6 7.741 -8.860 -0.464 1.00 0.00 O ATOM 1257 OE2 GLU B 6 5.756 -9.592 0.085 1.00 0.00 O ATOM 0 H GLU B 6 4.581 -9.697 -1.901 1.00 0.00 H new ATOM 0 HA GLU B 6 3.405 -7.036 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU B 6 6.146 -8.070 -2.841 1.00 0.00 H new ATOM 0 HB3 GLU B 6 5.671 -6.389 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU B 6 6.627 -6.593 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU B 6 5.032 -7.173 -0.213 1.00 0.00 H new ATOM 1264 N ALA B 7 3.095 -6.694 -4.441 1.00 0.00 N ATOM 1265 CA ALA B 7 2.720 -6.527 -5.834 1.00 0.00 C ATOM 1266 C ALA B 7 3.104 -5.135 -6.322 1.00 0.00 C ATOM 1267 O ALA B 7 3.182 -4.191 -5.530 1.00 0.00 O ATOM 1268 CB ALA B 7 1.223 -6.743 -5.996 1.00 0.00 C ATOM 0 H ALA B 7 2.850 -5.902 -3.847 1.00 0.00 H new ATOM 0 HA ALA B 7 3.253 -7.265 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA B 7 0.948 -6.616 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA B 7 0.964 -7.751 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA B 7 0.683 -6.017 -5.389 1.00 0.00 H new ATOM 1274 N VAL B 8 3.361 -5.020 -7.618 1.00 0.00 N ATOM 1275 CA VAL B 8 3.662 -3.752 -8.234 1.00 0.00 C ATOM 1276 C VAL B 8 2.577 -3.371 -9.238 1.00 0.00 C ATOM 1277 O VAL B 8 2.309 -4.087 -10.206 1.00 0.00 O ATOM 1278 CB VAL B 8 5.037 -3.768 -8.933 1.00 0.00 C ATOM 1279 CG1 VAL B 8 6.159 -3.655 -7.909 1.00 0.00 C ATOM 1280 CG2 VAL B 8 5.213 -5.023 -9.779 1.00 0.00 C ATOM 0 H VAL B 8 3.365 -5.809 -8.265 1.00 0.00 H new ATOM 0 HA VAL B 8 3.695 -3.007 -7.439 1.00 0.00 H new ATOM 0 HB VAL B 8 5.083 -2.906 -9.598 1.00 0.00 H new ATOM 0 HG11 VAL B 8 7.121 -3.668 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.055 -2.721 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL B 8 6.105 -4.495 -7.216 1.00 0.00 H new ATOM 0 HG21 VAL B 8 6.192 -5.004 -10.258 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.138 -5.905 -9.142 1.00 0.00 H new ATOM 0 HG23 VAL B 8 4.436 -5.059 -10.542 1.00 0.00 H new ATOM 1290 N TYR B 9 1.927 -2.261 -8.965 1.00 0.00 N ATOM 1291 CA TYR B 9 0.941 -1.689 -9.873 1.00 0.00 C ATOM 1292 C TYR B 9 1.617 -1.113 -11.108 1.00 0.00 C ATOM 1293 O TYR B 9 2.605 -0.391 -11.020 1.00 0.00 O ATOM 1294 CB TYR B 9 0.153 -0.619 -9.112 1.00 0.00 C ATOM 1295 CG TYR B 9 -0.745 0.242 -9.960 1.00 0.00 C ATOM 1296 CD1 TYR B 9 -2.055 -0.123 -10.217 1.00 0.00 C ATOM 1297 CD2 TYR B 9 -0.282 1.437 -10.487 1.00 0.00 C ATOM 1298 CE1 TYR B 9 -2.875 0.676 -10.982 1.00 0.00 C ATOM 1299 CE2 TYR B 9 -1.093 2.238 -11.253 1.00 0.00 C ATOM 1300 CZ TYR B 9 -2.385 1.860 -11.499 1.00 0.00 C ATOM 1301 OH TYR B 9 -3.193 2.668 -12.262 1.00 0.00 O ATOM 0 H TYR B 9 2.063 -1.725 -8.108 1.00 0.00 H new ATOM 0 HA TYR B 9 0.256 -2.462 -10.221 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -0.454 -1.110 -8.352 1.00 0.00 H new ATOM 0 HB3 TYR B 9 0.859 0.026 -8.589 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -2.439 -1.047 -9.812 1.00 0.00 H new ATOM 0 HD2 TYR B 9 0.735 1.744 -10.292 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -3.895 0.379 -11.177 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -0.712 3.163 -11.660 1.00 0.00 H new ATOM 0 HH TYR B 9 -2.690 3.461 -12.544 1.00 0.00 H new ATOM 1311 N GLU B 10 1.078 -1.477 -12.257 1.00 0.00 N ATOM 1312 CA GLU B 10 1.564 -1.013 -13.534 1.00 0.00 C ATOM 1313 C GLU B 10 0.425 -0.999 -14.533 1.00 0.00 C ATOM 1314 O GLU B 10 -0.307 -1.981 -14.650 1.00 0.00 O ATOM 1315 CB GLU B 10 2.655 -1.942 -14.050 1.00 0.00 C ATOM 1316 CG GLU B 10 3.232 -1.522 -15.391 1.00 0.00 C ATOM 1317 CD GLU B 10 4.021 -2.624 -16.071 1.00 0.00 C ATOM 1318 OE1 GLU B 10 4.732 -3.375 -15.377 1.00 0.00 O ATOM 1319 OE2 GLU B 10 3.920 -2.760 -17.311 1.00 0.00 O ATOM 0 H GLU B 10 0.282 -2.111 -12.326 1.00 0.00 H new ATOM 0 HA GLU B 10 1.969 -0.009 -13.411 1.00 0.00 H new ATOM 0 HB2 GLU B 10 3.460 -1.986 -13.316 1.00 0.00 H new ATOM 0 HB3 GLU B 10 2.250 -2.950 -14.139 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.420 -1.207 -16.047 1.00 0.00 H new ATOM 0 HG3 GLU B 10 3.879 -0.657 -15.246 1.00 0.00 H new ATOM 1326 N ASN B 11 0.262 0.121 -15.216 1.00 0.00 N ATOM 1327 CA ASN B 11 -0.672 0.230 -16.341 1.00 0.00 C ATOM 1328 C ASN B 11 -2.124 0.093 -15.891 1.00 0.00 C ATOM 1329 O ASN B 11 -3.010 -0.193 -16.695 1.00 0.00 O ATOM 1330 CB ASN B 11 -0.355 -0.839 -17.391 1.00 0.00 C ATOM 1331 CG ASN B 11 -0.724 -0.409 -18.798 1.00 0.00 C ATOM 1332 OD1 ASN B 11 -0.650 0.773 -19.140 1.00 0.00 O ATOM 1333 ND2 ASN B 11 -1.138 -1.359 -19.621 1.00 0.00 N ATOM 0 H ASN B 11 0.769 0.983 -15.013 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.548 1.222 -16.774 1.00 0.00 H new ATOM 0 HB2 ASN B 11 0.709 -1.073 -17.355 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.891 -1.755 -17.144 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -1.410 -1.124 -20.576 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -1.185 -2.326 -19.301 1.00 0.00 H new ATOM 1340 N GLY B 12 -2.367 0.316 -14.611 1.00 0.00 N ATOM 1341 CA GLY B 12 -3.705 0.163 -14.083 1.00 0.00 C ATOM 1342 C GLY B 12 -3.922 -1.208 -13.474 1.00 0.00 C ATOM 1343 O GLY B 12 -5.045 -1.582 -13.147 1.00 0.00 O ATOM 0 H GLY B 12 -1.664 0.600 -13.929 1.00 0.00 H new ATOM 0 HA2 GLY B 12 -3.886 0.928 -13.328 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -4.430 0.324 -14.881 1.00 0.00 H new ATOM 1347 N VAL B 13 -2.839 -1.956 -13.318 1.00 0.00 N ATOM 1348 CA VAL B 13 -2.916 -3.313 -12.794 1.00 0.00 C ATOM 1349 C VAL B 13 -2.050 -3.450 -11.563 1.00 0.00 C ATOM 1350 O VAL B 13 -1.025 -2.804 -11.473 1.00 0.00 O ATOM 1351 CB VAL B 13 -2.373 -4.331 -13.803 1.00 0.00 C ATOM 1352 CG1 VAL B 13 -2.761 -5.747 -13.409 1.00 0.00 C ATOM 1353 CG2 VAL B 13 -2.817 -4.016 -15.228 1.00 0.00 C ATOM 0 H VAL B 13 -1.895 -1.646 -13.547 1.00 0.00 H new ATOM 0 HA VAL B 13 -3.967 -3.503 -12.576 1.00 0.00 H new ATOM 0 HB VAL B 13 -1.286 -4.258 -13.783 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -2.364 -6.450 -14.141 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -2.351 -5.976 -12.426 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -3.847 -5.831 -13.378 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -2.409 -4.763 -15.910 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -3.906 -4.031 -15.282 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -2.454 -3.028 -15.512 1.00 0.00 H new ATOM 1363 N PHE B 14 -2.435 -4.296 -10.633 1.00 0.00 N ATOM 1364 CA PHE B 14 -1.520 -4.684 -9.583 1.00 0.00 C ATOM 1365 C PHE B 14 -0.969 -6.066 -9.893 1.00 0.00 C ATOM 1366 O PHE B 14 -1.703 -7.048 -9.912 1.00 0.00 O ATOM 1367 CB PHE B 14 -2.213 -4.680 -8.225 1.00 0.00 C ATOM 1368 CG PHE B 14 -2.612 -3.313 -7.745 1.00 0.00 C ATOM 1369 CD1 PHE B 14 -3.821 -2.756 -8.121 1.00 0.00 C ATOM 1370 CD2 PHE B 14 -1.775 -2.588 -6.912 1.00 0.00 C ATOM 1371 CE1 PHE B 14 -4.191 -1.501 -7.675 1.00 0.00 C ATOM 1372 CE2 PHE B 14 -2.141 -1.334 -6.461 1.00 0.00 C ATOM 1373 CZ PHE B 14 -3.351 -0.791 -6.844 1.00 0.00 C ATOM 0 H PHE B 14 -3.360 -4.723 -10.582 1.00 0.00 H new ATOM 0 HA PHE B 14 -0.703 -3.964 -9.538 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -3.102 -5.308 -8.281 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -1.549 -5.133 -7.489 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -4.484 -3.308 -8.771 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -0.826 -3.008 -6.612 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -5.137 -1.077 -7.977 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -1.481 -0.780 -5.810 1.00 0.00 H new ATOM 0 HZ PHE B 14 -3.639 0.189 -6.493 1.00 0.00 H new ATOM 1383 N LYS B 15 0.320 -6.136 -10.147 1.00 0.00 N ATOM 1384 CA LYS B 15 0.965 -7.393 -10.478 1.00 0.00 C ATOM 1385 C LYS B 15 1.878 -7.833 -9.354 1.00 0.00 C ATOM 1386 O LYS B 15 2.853 -7.150 -9.054 1.00 0.00 O ATOM 1387 CB LYS B 15 1.781 -7.254 -11.755 1.00 0.00 C ATOM 1388 CG LYS B 15 0.944 -7.117 -13.014 1.00 0.00 C ATOM 1389 CD LYS B 15 1.824 -7.043 -14.252 1.00 0.00 C ATOM 1390 CE LYS B 15 2.700 -5.803 -14.234 1.00 0.00 C ATOM 1391 NZ LYS B 15 3.738 -5.832 -15.298 1.00 0.00 N ATOM 0 H LYS B 15 0.948 -5.332 -10.131 1.00 0.00 H new ATOM 0 HA LYS B 15 0.186 -8.141 -10.626 1.00 0.00 H new ATOM 0 HB2 LYS B 15 2.429 -6.382 -11.666 1.00 0.00 H new ATOM 0 HB3 LYS B 15 2.429 -8.124 -11.856 1.00 0.00 H new ATOM 0 HG2 LYS B 15 0.265 -7.966 -13.097 1.00 0.00 H new ATOM 0 HG3 LYS B 15 0.327 -6.221 -12.948 1.00 0.00 H new ATOM 0 HD2 LYS B 15 2.451 -7.933 -14.309 1.00 0.00 H new ATOM 0 HD3 LYS B 15 1.199 -7.036 -15.145 1.00 0.00 H new ATOM 0 HE2 LYS B 15 2.076 -4.918 -14.361 1.00 0.00 H new ATOM 0 HE3 LYS B 15 3.183 -5.715 -13.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 4.375 -5.017 -15.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 4.286 -6.713 -15.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 3.280 -5.786 -16.231 1.00 0.00 H new ATOM 1405 N PRO B 16 1.596 -8.969 -8.716 1.00 0.00 N ATOM 1406 CA PRO B 16 2.411 -9.432 -7.607 1.00 0.00 C ATOM 1407 C PRO B 16 3.825 -9.793 -8.040 1.00 0.00 C ATOM 1408 O PRO B 16 4.129 -9.926 -9.227 1.00 0.00 O ATOM 1409 CB PRO B 16 1.670 -10.675 -7.109 1.00 0.00 C ATOM 1410 CG PRO B 16 0.834 -11.121 -8.259 1.00 0.00 C ATOM 1411 CD PRO B 16 0.476 -9.873 -9.012 1.00 0.00 C ATOM 0 HA PRO B 16 2.534 -8.662 -6.845 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.369 -11.454 -6.805 1.00 0.00 H new ATOM 0 HB3 PRO B 16 1.053 -10.444 -6.241 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.382 -11.817 -8.894 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -0.060 -11.640 -7.914 1.00 0.00 H new ATOM 0 HD2 PRO B 16 0.382 -10.061 -10.082 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -0.475 -9.459 -8.677 1.00 0.00 H new ATOM 1419 N LEU B 17 4.675 -9.983 -7.060 1.00 0.00 N ATOM 1420 CA LEU B 17 6.013 -10.484 -7.293 1.00 0.00 C ATOM 1421 C LEU B 17 6.123 -11.834 -6.631 1.00 0.00 C ATOM 1422 O LEU B 17 7.125 -12.537 -6.754 1.00 0.00 O ATOM 1423 CB LEU B 17 7.079 -9.535 -6.729 1.00 0.00 C ATOM 1424 CG LEU B 17 7.148 -8.144 -7.374 1.00 0.00 C ATOM 1425 CD1 LEU B 17 6.134 -7.198 -6.749 1.00 0.00 C ATOM 1426 CD2 LEU B 17 8.554 -7.569 -7.262 1.00 0.00 C ATOM 0 H LEU B 17 4.462 -9.796 -6.080 1.00 0.00 H new ATOM 0 HA LEU B 17 6.187 -10.561 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.898 -9.410 -5.661 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.054 -10.011 -6.834 1.00 0.00 H new ATOM 0 HG LEU B 17 6.901 -8.253 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.206 -6.221 -7.226 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.129 -7.597 -6.889 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.339 -7.098 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.582 -6.583 -7.725 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.830 -7.484 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.258 -8.228 -7.770 1.00 0.00 H new ATOM 1438 N GLN B 18 5.065 -12.185 -5.919 1.00 0.00 N ATOM 1439 CA GLN B 18 5.032 -13.432 -5.174 1.00 0.00 C ATOM 1440 C GLN B 18 4.374 -14.541 -5.973 1.00 0.00 C ATOM 1441 O GLN B 18 4.376 -15.688 -5.548 1.00 0.00 O ATOM 1442 CB GLN B 18 4.222 -13.228 -3.904 1.00 0.00 C ATOM 1443 CG GLN B 18 4.757 -12.151 -2.984 1.00 0.00 C ATOM 1444 CD GLN B 18 5.945 -12.609 -2.185 1.00 0.00 C ATOM 1445 OE1 GLN B 18 5.799 -13.164 -1.097 1.00 0.00 O ATOM 1446 NE2 GLN B 18 7.129 -12.372 -2.706 1.00 0.00 N ATOM 0 H GLN B 18 4.217 -11.623 -5.841 1.00 0.00 H new ATOM 0 HA GLN B 18 6.060 -13.717 -4.952 1.00 0.00 H new ATOM 0 HB2 GLN B 18 3.197 -12.978 -4.178 1.00 0.00 H new ATOM 0 HB3 GLN B 18 4.185 -14.170 -3.357 1.00 0.00 H new ATOM 0 HG2 GLN B 18 5.036 -11.279 -3.576 1.00 0.00 H new ATOM 0 HG3 GLN B 18 3.967 -11.834 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN B 18 7.204 -11.909 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN B 18 7.972 -12.651 -2.204 1.00 0.00 H new ATOM 1455 N LYS B 19 3.930 -14.166 -7.165 1.00 0.00 N ATOM 1456 CA LYS B 19 3.081 -14.971 -8.050 1.00 0.00 C ATOM 1457 C LYS B 19 2.079 -15.857 -7.320 1.00 0.00 C ATOM 1458 O LYS B 19 2.415 -16.754 -6.556 1.00 0.00 O ATOM 1459 CB LYS B 19 3.909 -15.770 -9.019 1.00 0.00 C ATOM 1460 CG LYS B 19 4.677 -14.892 -9.978 1.00 0.00 C ATOM 1461 CD LYS B 19 5.307 -15.711 -11.075 1.00 0.00 C ATOM 1462 CE LYS B 19 6.328 -14.903 -11.856 1.00 0.00 C ATOM 1463 NZ LYS B 19 7.365 -14.316 -10.967 1.00 0.00 N ATOM 0 H LYS B 19 4.158 -13.255 -7.564 1.00 0.00 H new ATOM 0 HA LYS B 19 2.480 -14.253 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS B 19 4.608 -16.397 -8.465 1.00 0.00 H new ATOM 0 HB3 LYS B 19 3.259 -16.439 -9.583 1.00 0.00 H new ATOM 0 HG2 LYS B 19 4.007 -14.150 -10.412 1.00 0.00 H new ATOM 0 HG3 LYS B 19 5.450 -14.346 -9.437 1.00 0.00 H new ATOM 0 HD2 LYS B 19 5.789 -16.589 -10.644 1.00 0.00 H new ATOM 0 HD3 LYS B 19 4.532 -16.072 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS B 19 6.806 -15.542 -12.599 1.00 0.00 H new ATOM 0 HE3 LYS B 19 5.821 -14.105 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 8.287 -14.337 -11.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.114 -13.332 -10.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.421 -14.868 -10.087 1.00 0.00 H new ATOM 1477 N VAL B 20 0.834 -15.655 -7.660 1.00 0.00 N ATOM 1478 CA VAL B 20 -0.253 -16.167 -6.840 1.00 0.00 C ATOM 1479 C VAL B 20 -1.211 -17.018 -7.619 1.00 0.00 C ATOM 1480 O VAL B 20 -1.555 -16.736 -8.767 1.00 0.00 O ATOM 1481 CB VAL B 20 -1.041 -15.030 -6.160 1.00 0.00 C ATOM 1482 CG1 VAL B 20 -1.667 -15.515 -4.864 1.00 0.00 C ATOM 1483 CG2 VAL B 20 -0.162 -13.811 -5.912 1.00 0.00 C ATOM 0 H VAL B 20 0.539 -15.144 -8.492 1.00 0.00 H new ATOM 0 HA VAL B 20 0.224 -16.785 -6.080 1.00 0.00 H new ATOM 0 HB VAL B 20 -1.839 -14.727 -6.838 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -2.219 -14.698 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -2.348 -16.339 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -0.884 -15.856 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -0.751 -13.030 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.670 -14.088 -5.265 1.00 0.00 H new ATOM 0 HG23 VAL B 20 0.224 -13.442 -6.862 1.00 0.00 H new ATOM 1493 N ASP B 21 -1.623 -18.075 -6.963 1.00 0.00 N ATOM 1494 CA ASP B 21 -2.684 -18.897 -7.456 1.00 0.00 C ATOM 1495 C ASP B 21 -3.832 -18.808 -6.483 1.00 0.00 C ATOM 1496 O ASP B 21 -3.942 -19.553 -5.507 1.00 0.00 O ATOM 1497 CB ASP B 21 -2.202 -20.317 -7.608 1.00 0.00 C ATOM 1498 CG ASP B 21 -3.215 -21.228 -8.275 1.00 0.00 C ATOM 1499 OD1 ASP B 21 -4.133 -21.722 -7.590 1.00 0.00 O ATOM 1500 OD2 ASP B 21 -3.090 -21.463 -9.494 1.00 0.00 O ATOM 0 H ASP B 21 -1.229 -18.384 -6.074 1.00 0.00 H new ATOM 0 HA ASP B 21 -3.015 -18.557 -8.437 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -1.282 -20.320 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -1.957 -20.717 -6.624 1.00 0.00 H new ATOM 1505 N LEU B 22 -4.632 -17.822 -6.744 1.00 0.00 N ATOM 1506 CA LEU B 22 -5.861 -17.576 -6.018 1.00 0.00 C ATOM 1507 C LEU B 22 -7.058 -17.851 -6.915 1.00 0.00 C ATOM 1508 O LEU B 22 -6.935 -18.539 -7.932 1.00 0.00 O ATOM 1509 CB LEU B 22 -5.885 -16.124 -5.535 1.00 0.00 C ATOM 1510 CG LEU B 22 -4.944 -15.802 -4.375 1.00 0.00 C ATOM 1511 CD1 LEU B 22 -4.951 -14.310 -4.080 1.00 0.00 C ATOM 1512 CD2 LEU B 22 -5.338 -16.586 -3.134 1.00 0.00 C ATOM 0 H LEU B 22 -4.454 -17.143 -7.484 1.00 0.00 H new ATOM 0 HA LEU B 22 -5.912 -18.241 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -5.634 -15.476 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.903 -15.876 -5.234 1.00 0.00 H new ATOM 0 HG LEU B 22 -3.934 -16.094 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.275 -14.100 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -4.623 -13.763 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -5.960 -13.997 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.656 -16.343 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -6.356 -16.324 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.285 -17.654 -3.346 1.00 0.00 H new ATOM 1524 N LYS B 23 -8.217 -17.332 -6.536 1.00 0.00 N ATOM 1525 CA LYS B 23 -9.384 -17.412 -7.385 1.00 0.00 C ATOM 1526 C LYS B 23 -9.418 -16.203 -8.300 1.00 0.00 C ATOM 1527 O LYS B 23 -8.479 -15.409 -8.315 1.00 0.00 O ATOM 1528 CB LYS B 23 -10.660 -17.462 -6.553 1.00 0.00 C ATOM 1529 CG LYS B 23 -10.787 -18.701 -5.683 1.00 0.00 C ATOM 1530 CD LYS B 23 -12.162 -18.784 -5.048 1.00 0.00 C ATOM 1531 CE LYS B 23 -12.456 -17.582 -4.158 1.00 0.00 C ATOM 1532 NZ LYS B 23 -11.548 -17.517 -2.983 1.00 0.00 N ATOM 0 H LYS B 23 -8.368 -16.854 -5.648 1.00 0.00 H new ATOM 0 HA LYS B 23 -9.326 -18.326 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -10.700 -16.579 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -11.519 -17.412 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -10.607 -19.592 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -10.024 -18.682 -4.905 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -12.919 -18.849 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -12.234 -19.698 -4.458 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -12.357 -16.667 -4.742 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -13.489 -17.631 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -11.692 -16.617 -2.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -11.755 -18.308 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -10.561 -17.580 -3.303 1.00 0.00 H new ATOM 1546 N GLU B 24 -10.482 -16.067 -9.068 1.00 0.00 N ATOM 1547 CA GLU B 24 -10.668 -14.899 -9.886 1.00 0.00 C ATOM 1548 C GLU B 24 -11.744 -14.020 -9.282 1.00 0.00 C ATOM 1549 O GLU B 24 -12.876 -14.455 -9.054 1.00 0.00 O ATOM 1550 CB GLU B 24 -11.029 -15.308 -11.296 1.00 0.00 C ATOM 1551 CG GLU B 24 -9.965 -16.164 -11.961 1.00 0.00 C ATOM 1552 CD GLU B 24 -10.193 -16.325 -13.445 1.00 0.00 C ATOM 1553 OE1 GLU B 24 -9.697 -15.479 -14.216 1.00 0.00 O ATOM 1554 OE2 GLU B 24 -10.860 -17.299 -13.850 1.00 0.00 O ATOM 0 H GLU B 24 -11.230 -16.757 -9.138 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.739 -14.330 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -11.970 -15.858 -11.278 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -11.194 -14.413 -11.896 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -8.986 -15.715 -11.794 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -9.949 -17.147 -11.491 1.00 0.00 H new ATOM 1561 N GLY B 25 -11.376 -12.786 -9.022 1.00 0.00 N ATOM 1562 CA GLY B 25 -12.232 -11.902 -8.269 1.00 0.00 C ATOM 1563 C GLY B 25 -12.021 -12.102 -6.787 1.00 0.00 C ATOM 1564 O GLY B 25 -12.910 -11.835 -5.977 1.00 0.00 O ATOM 0 H GLY B 25 -10.492 -12.374 -9.320 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.022 -10.866 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -13.275 -12.091 -8.523 1.00 0.00 H new ATOM 1568 N GLU B 26 -10.835 -12.597 -6.447 1.00 0.00 N ATOM 1569 CA GLU B 26 -10.464 -12.883 -5.082 1.00 0.00 C ATOM 1570 C GLU B 26 -10.435 -11.603 -4.247 1.00 0.00 C ATOM 1571 O GLU B 26 -9.867 -10.593 -4.666 1.00 0.00 O ATOM 1572 CB GLU B 26 -9.094 -13.559 -5.092 1.00 0.00 C ATOM 1573 CG GLU B 26 -8.686 -14.120 -3.761 1.00 0.00 C ATOM 1574 CD GLU B 26 -9.564 -15.276 -3.345 1.00 0.00 C ATOM 1575 OE1 GLU B 26 -9.237 -16.432 -3.700 1.00 0.00 O ATOM 1576 OE2 GLU B 26 -10.595 -15.035 -2.683 1.00 0.00 O ATOM 0 H GLU B 26 -10.103 -12.810 -7.125 1.00 0.00 H new ATOM 0 HA GLU B 26 -11.200 -13.546 -4.628 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -9.101 -14.363 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -8.345 -12.837 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -7.649 -14.451 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -8.736 -13.336 -3.006 1.00 0.00 H new ATOM 1583 N ARG B 27 -11.047 -11.656 -3.070 1.00 0.00 N ATOM 1584 CA ARG B 27 -11.200 -10.476 -2.226 1.00 0.00 C ATOM 1585 C ARG B 27 -9.960 -10.217 -1.393 1.00 0.00 C ATOM 1586 O ARG B 27 -9.628 -10.965 -0.470 1.00 0.00 O ATOM 1587 CB ARG B 27 -12.389 -10.623 -1.299 1.00 0.00 C ATOM 1588 CG ARG B 27 -13.730 -10.645 -2.009 1.00 0.00 C ATOM 1589 CD ARG B 27 -14.159 -9.245 -2.420 1.00 0.00 C ATOM 1590 NE ARG B 27 -14.282 -8.355 -1.262 1.00 0.00 N ATOM 1591 CZ ARG B 27 -14.879 -7.166 -1.287 1.00 0.00 C ATOM 1592 NH1 ARG B 27 -15.446 -6.720 -2.400 1.00 0.00 N ATOM 1593 NH2 ARG B 27 -14.926 -6.428 -0.184 1.00 0.00 N ATOM 0 H ARG B 27 -11.447 -12.508 -2.677 1.00 0.00 H new ATOM 0 HA ARG B 27 -11.358 -9.631 -2.896 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.278 -11.544 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -12.382 -9.800 -0.584 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -13.667 -11.282 -2.891 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -14.484 -11.081 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -13.433 -8.833 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -15.114 -9.296 -2.943 1.00 0.00 H new ATOM 0 HE ARG B 27 -13.883 -8.668 -0.377 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -15.427 -7.290 -3.246 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.901 -5.807 -2.410 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -14.505 -6.773 0.679 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -15.383 -5.516 -0.200 1.00 0.00 H new ATOM 1607 N VAL B 28 -9.314 -9.123 -1.704 1.00 0.00 N ATOM 1608 CA VAL B 28 -8.078 -8.736 -1.043 1.00 0.00 C ATOM 1609 C VAL B 28 -8.060 -7.241 -0.753 1.00 0.00 C ATOM 1610 O VAL B 28 -8.823 -6.470 -1.343 1.00 0.00 O ATOM 1611 CB VAL B 28 -6.837 -9.093 -1.890 1.00 0.00 C ATOM 1612 CG1 VAL B 28 -6.743 -10.596 -2.118 1.00 0.00 C ATOM 1613 CG2 VAL B 28 -6.862 -8.348 -3.215 1.00 0.00 C ATOM 0 H VAL B 28 -9.624 -8.469 -2.423 1.00 0.00 H new ATOM 0 HA VAL B 28 -8.038 -9.294 -0.107 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.950 -8.782 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -5.860 -10.819 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -6.668 -11.106 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.634 -10.941 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -5.980 -8.612 -3.798 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -7.759 -8.623 -3.770 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -6.865 -7.274 -3.029 1.00 0.00 H new ATOM 1623 N LYS B 29 -7.188 -6.845 0.162 1.00 0.00 N ATOM 1624 CA LYS B 29 -6.996 -5.452 0.497 1.00 0.00 C ATOM 1625 C LYS B 29 -5.585 -5.038 0.119 1.00 0.00 C ATOM 1626 O LYS B 29 -4.649 -5.830 0.231 1.00 0.00 O ATOM 1627 CB LYS B 29 -7.217 -5.238 1.990 1.00 0.00 C ATOM 1628 CG LYS B 29 -8.643 -5.506 2.447 1.00 0.00 C ATOM 1629 CD LYS B 29 -9.622 -4.515 1.843 1.00 0.00 C ATOM 1630 CE LYS B 29 -11.069 -4.891 2.137 1.00 0.00 C ATOM 1631 NZ LYS B 29 -11.349 -5.023 3.590 1.00 0.00 N ATOM 0 H LYS B 29 -6.596 -7.485 0.691 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.715 -4.845 -0.053 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.540 -5.888 2.544 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -6.952 -4.212 2.243 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -8.931 -6.519 2.166 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.693 -5.450 3.534 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.419 -3.519 2.237 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.472 -4.468 0.764 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.729 -4.135 1.712 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.302 -5.833 1.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.371 -5.145 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.844 -5.850 3.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.028 -4.166 4.085 1.00 0.00 H new ATOM 1645 N ILE B 30 -5.441 -3.810 -0.330 1.00 0.00 N ATOM 1646 CA ILE B 30 -4.145 -3.287 -0.723 1.00 0.00 C ATOM 1647 C ILE B 30 -3.771 -2.110 0.138 1.00 0.00 C ATOM 1648 O ILE B 30 -4.528 -1.145 0.270 1.00 0.00 O ATOM 1649 CB ILE B 30 -4.078 -2.830 -2.195 1.00 0.00 C ATOM 1650 CG1 ILE B 30 -5.428 -2.988 -2.896 1.00 0.00 C ATOM 1651 CG2 ILE B 30 -2.990 -3.597 -2.926 1.00 0.00 C ATOM 1652 CD1 ILE B 30 -5.409 -2.577 -4.353 1.00 0.00 C ATOM 0 H ILE B 30 -6.210 -3.148 -0.433 1.00 0.00 H new ATOM 0 HA ILE B 30 -3.450 -4.117 -0.594 1.00 0.00 H new ATOM 0 HB ILE B 30 -3.832 -1.768 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -5.745 -4.029 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -6.173 -2.392 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -2.949 -3.269 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -2.029 -3.410 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -3.211 -4.664 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -6.401 -2.717 -4.783 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -5.124 -1.528 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -4.689 -3.190 -4.895 1.00 0.00 H new ATOM 1664 N LYS B 31 -2.604 -2.204 0.723 1.00 0.00 N ATOM 1665 CA LYS B 31 -2.055 -1.123 1.496 1.00 0.00 C ATOM 1666 C LYS B 31 -0.604 -0.934 1.102 1.00 0.00 C ATOM 1667 O LYS B 31 0.187 -1.877 1.131 1.00 0.00 O ATOM 1668 CB LYS B 31 -2.192 -1.416 2.991 1.00 0.00 C ATOM 1669 CG LYS B 31 -1.727 -0.285 3.890 1.00 0.00 C ATOM 1670 CD LYS B 31 -2.049 -0.581 5.342 1.00 0.00 C ATOM 1671 CE LYS B 31 -1.575 0.527 6.269 1.00 0.00 C ATOM 1672 NZ LYS B 31 -0.095 0.644 6.283 1.00 0.00 N ATOM 0 H LYS B 31 -2.010 -3.032 0.676 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.602 -0.202 1.294 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -3.236 -1.636 3.213 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.620 -2.313 3.228 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -0.653 -0.141 3.774 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -2.208 0.646 3.589 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -3.125 -0.712 5.455 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -1.581 -1.522 5.633 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -2.011 1.475 5.954 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -1.933 0.332 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.196 1.275 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 0.326 -0.296 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.231 1.035 5.376 1.00 0.00 H new ATOM 1686 N LEU B 32 -0.265 0.276 0.701 1.00 0.00 N ATOM 1687 CA LEU B 32 1.080 0.580 0.262 1.00 0.00 C ATOM 1688 C LEU B 32 1.971 0.595 1.488 1.00 0.00 C ATOM 1689 O LEU B 32 1.823 1.453 2.356 1.00 0.00 O ATOM 1690 CB LEU B 32 1.113 1.930 -0.456 1.00 0.00 C ATOM 1691 CG LEU B 32 0.151 2.087 -1.648 1.00 0.00 C ATOM 1692 CD1 LEU B 32 -1.272 2.392 -1.189 1.00 0.00 C ATOM 1693 CD2 LEU B 32 0.638 3.165 -2.597 1.00 0.00 C ATOM 0 H LEU B 32 -0.908 1.067 0.671 1.00 0.00 H new ATOM 0 HA LEU B 32 1.432 -0.171 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.889 2.711 0.271 1.00 0.00 H new ATOM 0 HB3 LEU B 32 2.129 2.106 -0.810 1.00 0.00 H new ATOM 0 HG LEU B 32 0.135 1.134 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -1.921 2.496 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.634 1.578 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.279 3.321 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -0.058 3.257 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.698 4.116 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.625 2.898 -2.976 1.00 0.00 H new ATOM 1761 N VAL B 36 7.743 -6.286 7.689 1.00 0.00 N ATOM 1762 CA VAL B 36 7.691 -6.468 9.132 1.00 0.00 C ATOM 1763 C VAL B 36 8.618 -7.614 9.556 1.00 0.00 C ATOM 1764 O VAL B 36 9.047 -8.410 8.722 1.00 0.00 O ATOM 1765 CB VAL B 36 6.241 -6.751 9.583 1.00 0.00 C ATOM 1766 CG1 VAL B 36 5.771 -8.117 9.107 1.00 0.00 C ATOM 1767 CG2 VAL B 36 6.083 -6.610 11.089 1.00 0.00 C ATOM 0 HA VAL B 36 8.031 -5.551 9.614 1.00 0.00 H new ATOM 0 HB VAL B 36 5.605 -5.998 9.117 1.00 0.00 H new ATOM 0 HG11 VAL B 36 4.747 -8.286 9.441 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.809 -8.156 8.018 1.00 0.00 H new ATOM 0 HG13 VAL B 36 6.419 -8.889 9.521 1.00 0.00 H new ATOM 0 HG21 VAL B 36 5.050 -6.817 11.367 1.00 0.00 H new ATOM 0 HG22 VAL B 36 6.743 -7.317 11.592 1.00 0.00 H new ATOM 0 HG23 VAL B 36 6.343 -5.595 11.389 1.00 0.00 H new ATOM 1777 N GLU B 37 8.927 -7.683 10.844 1.00 0.00 N ATOM 1778 CA GLU B 37 9.832 -8.684 11.379 1.00 0.00 C ATOM 1779 C GLU B 37 9.067 -9.853 12.008 1.00 0.00 C ATOM 1780 O GLU B 37 7.902 -9.710 12.387 1.00 0.00 O ATOM 1781 CB GLU B 37 10.753 -8.024 12.405 1.00 0.00 C ATOM 1782 CG GLU B 37 10.041 -7.074 13.357 1.00 0.00 C ATOM 1783 CD GLU B 37 10.990 -6.417 14.337 1.00 0.00 C ATOM 1784 OE1 GLU B 37 11.803 -5.571 13.910 1.00 0.00 O ATOM 1785 OE2 GLU B 37 10.925 -6.737 15.546 1.00 0.00 O ATOM 0 H GLU B 37 8.555 -7.044 11.546 1.00 0.00 H new ATOM 0 HA GLU B 37 10.427 -9.094 10.563 1.00 0.00 H new ATOM 0 HB2 GLU B 37 11.248 -8.802 12.987 1.00 0.00 H new ATOM 0 HB3 GLU B 37 11.533 -7.476 11.877 1.00 0.00 H new ATOM 0 HG2 GLU B 37 9.528 -6.304 12.781 1.00 0.00 H new ATOM 0 HG3 GLU B 37 9.277 -7.622 13.908 1.00 0.00 H new ATOM 1792 N PRO B 38 9.707 -11.038 12.097 1.00 0.00 N ATOM 1793 CA PRO B 38 9.103 -12.235 12.683 1.00 0.00 C ATOM 1794 C PRO B 38 9.335 -12.351 14.192 1.00 0.00 C ATOM 1795 O PRO B 38 9.965 -11.489 14.811 1.00 0.00 O ATOM 1796 CB PRO B 38 9.832 -13.354 11.949 1.00 0.00 C ATOM 1797 CG PRO B 38 11.205 -12.817 11.727 1.00 0.00 C ATOM 1798 CD PRO B 38 11.069 -11.316 11.600 1.00 0.00 C ATOM 0 HA PRO B 38 8.018 -12.243 12.575 1.00 0.00 H new ATOM 0 HB2 PRO B 38 9.854 -14.269 12.541 1.00 0.00 H new ATOM 0 HB3 PRO B 38 9.342 -13.596 11.006 1.00 0.00 H new ATOM 0 HG2 PRO B 38 11.861 -13.077 12.557 1.00 0.00 H new ATOM 0 HG3 PRO B 38 11.646 -13.243 10.826 1.00 0.00 H new ATOM 0 HD2 PRO B 38 11.823 -10.795 12.190 1.00 0.00 H new ATOM 0 HD3 PRO B 38 11.191 -10.990 10.567 1.00 0.00 H new ATOM 1806 N ILE B 39 8.820 -13.428 14.777 1.00 0.00 N ATOM 1807 CA ILE B 39 8.958 -13.681 16.199 1.00 0.00 C ATOM 1808 C ILE B 39 9.684 -15.000 16.475 1.00 0.00 C ATOM 1809 O ILE B 39 9.890 -15.810 15.570 1.00 0.00 O ATOM 1810 CB ILE B 39 7.580 -13.725 16.882 1.00 0.00 C ATOM 1811 CG1 ILE B 39 6.645 -14.707 16.162 1.00 0.00 C ATOM 1812 CG2 ILE B 39 6.971 -12.331 16.944 1.00 0.00 C ATOM 1813 CD1 ILE B 39 5.304 -14.878 16.838 1.00 0.00 C ATOM 0 H ILE B 39 8.297 -14.146 14.276 1.00 0.00 H new ATOM 0 HA ILE B 39 9.549 -12.861 16.607 1.00 0.00 H new ATOM 0 HB ILE B 39 7.713 -14.082 17.903 1.00 0.00 H new ATOM 0 HG12 ILE B 39 6.485 -14.360 15.141 1.00 0.00 H new ATOM 0 HG13 ILE B 39 7.135 -15.679 16.096 1.00 0.00 H new ATOM 0 HG21 ILE B 39 5.997 -12.381 17.430 1.00 0.00 H new ATOM 0 HG22 ILE B 39 7.627 -11.672 17.513 1.00 0.00 H new ATOM 0 HG23 ILE B 39 6.853 -11.940 15.933 1.00 0.00 H new ATOM 0 HD11 ILE B 39 4.699 -15.586 16.272 1.00 0.00 H new ATOM 0 HD12 ILE B 39 5.452 -15.255 17.850 1.00 0.00 H new ATOM 0 HD13 ILE B 39 4.793 -13.916 16.880 1.00 0.00 H new ATOM 1825 N ASP B 40 10.051 -15.214 17.735 1.00 0.00 N ATOM 1826 CA ASP B 40 10.722 -16.445 18.154 1.00 0.00 C ATOM 1827 C ASP B 40 9.943 -17.071 19.314 1.00 0.00 C ATOM 1828 O ASP B 40 8.869 -16.583 19.670 1.00 0.00 O ATOM 1829 CB ASP B 40 12.172 -16.142 18.568 1.00 0.00 C ATOM 1830 CG ASP B 40 13.079 -17.367 18.563 1.00 0.00 C ATOM 1831 OD1 ASP B 40 13.143 -18.074 19.590 1.00 0.00 O ATOM 1832 OD2 ASP B 40 13.756 -17.613 17.542 1.00 0.00 O ATOM 0 H ASP B 40 9.894 -14.547 18.490 1.00 0.00 H new ATOM 0 HA ASP B 40 10.750 -17.151 17.324 1.00 0.00 H new ATOM 0 HB2 ASP B 40 12.584 -15.393 17.892 1.00 0.00 H new ATOM 0 HB3 ASP B 40 12.172 -15.705 19.567 1.00 0.00 H new ATOM 1837 N LEU B 41 10.477 -18.128 19.911 1.00 0.00 N ATOM 1838 CA LEU B 41 9.773 -18.847 20.969 1.00 0.00 C ATOM 1839 C LEU B 41 10.639 -18.937 22.224 1.00 0.00 C ATOM 1840 O LEU B 41 11.808 -18.552 22.204 1.00 0.00 O ATOM 1841 CB LEU B 41 9.369 -20.260 20.505 1.00 0.00 C ATOM 1842 CG LEU B 41 10.519 -21.251 20.268 1.00 0.00 C ATOM 1843 CD1 LEU B 41 9.978 -22.667 20.176 1.00 0.00 C ATOM 1844 CD2 LEU B 41 11.291 -20.911 19.001 1.00 0.00 C ATOM 0 H LEU B 41 11.395 -18.508 19.682 1.00 0.00 H new ATOM 0 HA LEU B 41 8.866 -18.290 21.204 1.00 0.00 H new ATOM 0 HB2 LEU B 41 8.697 -20.686 21.250 1.00 0.00 H new ATOM 0 HB3 LEU B 41 8.801 -20.167 19.580 1.00 0.00 H new ATOM 0 HG LEU B 41 11.203 -21.178 21.114 1.00 0.00 H new ATOM 0 HD11 LEU B 41 10.802 -23.361 20.008 1.00 0.00 H new ATOM 0 HD12 LEU B 41 9.471 -22.924 21.106 1.00 0.00 H new ATOM 0 HD13 LEU B 41 9.273 -22.734 19.348 1.00 0.00 H new ATOM 0 HD21 LEU B 41 12.098 -21.631 18.862 1.00 0.00 H new ATOM 0 HD22 LEU B 41 10.619 -20.950 18.144 1.00 0.00 H new ATOM 0 HD23 LEU B 41 11.710 -19.909 19.088 1.00 0.00 H new ATOM 1856 N GLY B 42 10.068 -19.428 23.313 1.00 0.00 N ATOM 1857 CA GLY B 42 10.827 -19.588 24.534 1.00 0.00 C ATOM 1858 C GLY B 42 10.587 -20.935 25.179 1.00 0.00 C ATOM 1859 O GLY B 42 10.301 -21.917 24.493 1.00 0.00 O ATOM 0 H GLY B 42 9.092 -19.719 23.373 1.00 0.00 H new ATOM 0 HA2 GLY B 42 11.889 -19.474 24.318 1.00 0.00 H new ATOM 0 HA3 GLY B 42 10.557 -18.798 25.234 1.00 0.00 H new ATOM 1863 N GLU B 43 10.691 -20.983 26.495 1.00 0.00 N ATOM 1864 CA GLU B 43 10.470 -22.209 27.238 1.00 0.00 C ATOM 1865 C GLU B 43 9.047 -22.225 27.802 1.00 0.00 C ATOM 1866 O GLU B 43 8.306 -21.252 27.627 1.00 0.00 O ATOM 1867 CB GLU B 43 11.506 -22.328 28.367 1.00 0.00 C ATOM 1868 CG GLU B 43 11.432 -21.225 29.411 1.00 0.00 C ATOM 1869 CD GLU B 43 12.222 -21.563 30.661 1.00 0.00 C ATOM 1870 OE1 GLU B 43 13.469 -21.624 30.587 1.00 0.00 O ATOM 1871 OE2 GLU B 43 11.600 -21.789 31.722 1.00 0.00 O ATOM 0 H GLU B 43 10.929 -20.179 27.075 1.00 0.00 H new ATOM 0 HA GLU B 43 10.586 -23.064 26.571 1.00 0.00 H new ATOM 0 HB2 GLU B 43 11.375 -23.290 28.863 1.00 0.00 H new ATOM 0 HB3 GLU B 43 12.504 -22.329 27.928 1.00 0.00 H new ATOM 0 HG2 GLU B 43 11.812 -20.297 28.984 1.00 0.00 H new ATOM 0 HG3 GLU B 43 10.390 -21.050 29.678 1.00 0.00 H new ATOM 1878 N PRO B 44 8.624 -23.332 28.438 1.00 0.00 N ATOM 1879 CA PRO B 44 7.339 -23.387 29.144 1.00 0.00 C ATOM 1880 C PRO B 44 7.325 -22.479 30.375 1.00 0.00 C ATOM 1881 O PRO B 44 8.159 -21.577 30.514 1.00 0.00 O ATOM 1882 CB PRO B 44 7.217 -24.858 29.560 1.00 0.00 C ATOM 1883 CG PRO B 44 8.616 -25.367 29.585 1.00 0.00 C ATOM 1884 CD PRO B 44 9.338 -24.625 28.499 1.00 0.00 C ATOM 0 HA PRO B 44 6.514 -23.043 28.520 1.00 0.00 H new ATOM 0 HB2 PRO B 44 6.744 -24.954 30.537 1.00 0.00 H new ATOM 0 HB3 PRO B 44 6.605 -25.419 28.853 1.00 0.00 H new ATOM 0 HG2 PRO B 44 9.080 -25.190 30.555 1.00 0.00 H new ATOM 0 HG3 PRO B 44 8.644 -26.442 29.410 1.00 0.00 H new ATOM 0 HD2 PRO B 44 10.393 -24.491 28.736 1.00 0.00 H new ATOM 0 HD3 PRO B 44 9.290 -25.156 27.548 1.00 0.00 H new ATOM 1892 N VAL B 45 6.379 -22.709 31.271 1.00 0.00 N ATOM 1893 CA VAL B 45 6.292 -21.928 32.495 1.00 0.00 C ATOM 1894 C VAL B 45 7.398 -22.363 33.449 1.00 0.00 C ATOM 1895 O VAL B 45 7.846 -23.511 33.406 1.00 0.00 O ATOM 1896 CB VAL B 45 4.927 -22.104 33.197 1.00 0.00 C ATOM 1897 CG1 VAL B 45 4.685 -20.982 34.199 1.00 0.00 C ATOM 1898 CG2 VAL B 45 3.798 -22.186 32.176 1.00 0.00 C ATOM 0 H VAL B 45 5.662 -23.428 31.175 1.00 0.00 H new ATOM 0 HA VAL B 45 6.402 -20.877 32.227 1.00 0.00 H new ATOM 0 HB VAL B 45 4.946 -23.044 33.748 1.00 0.00 H new ATOM 0 HG11 VAL B 45 3.718 -21.127 34.681 1.00 0.00 H new ATOM 0 HG12 VAL B 45 5.472 -20.992 34.953 1.00 0.00 H new ATOM 0 HG13 VAL B 45 4.692 -20.023 33.680 1.00 0.00 H new ATOM 0 HG21 VAL B 45 2.847 -22.310 32.694 1.00 0.00 H new ATOM 0 HG22 VAL B 45 3.773 -21.270 31.586 1.00 0.00 H new ATOM 0 HG23 VAL B 45 3.965 -23.037 31.516 1.00 0.00 H new ATOM 1908 N SER B 46 7.841 -21.456 34.291 1.00 0.00 N ATOM 1909 CA SER B 46 8.876 -21.752 35.256 1.00 0.00 C ATOM 1910 C SER B 46 8.247 -22.212 36.575 1.00 0.00 C ATOM 1911 O SER B 46 7.024 -22.156 36.737 1.00 0.00 O ATOM 1912 CB SER B 46 9.722 -20.503 35.482 1.00 0.00 C ATOM 1913 OG SER B 46 10.192 -19.969 34.251 1.00 0.00 O ATOM 0 H SER B 46 7.496 -20.497 34.326 1.00 0.00 H new ATOM 0 HA SER B 46 9.510 -22.554 34.877 1.00 0.00 H new ATOM 0 HB2 SER B 46 9.132 -19.751 36.006 1.00 0.00 H new ATOM 0 HB3 SER B 46 10.570 -20.746 36.123 1.00 0.00 H new ATOM 0 HG SER B 46 10.730 -19.168 34.426 1.00 0.00 H new ATOM 1919 N VAL B 47 9.076 -22.655 37.509 1.00 0.00 N ATOM 1920 CA VAL B 47 8.600 -23.094 38.812 1.00 0.00 C ATOM 1921 C VAL B 47 8.916 -22.037 39.872 1.00 0.00 C ATOM 1922 O VAL B 47 9.983 -21.417 39.841 1.00 0.00 O ATOM 1923 CB VAL B 47 9.222 -24.458 39.206 1.00 0.00 C ATOM 1924 CG1 VAL B 47 10.740 -24.371 39.304 1.00 0.00 C ATOM 1925 CG2 VAL B 47 8.629 -24.972 40.505 1.00 0.00 C ATOM 0 H VAL B 47 10.087 -22.720 37.387 1.00 0.00 H new ATOM 0 HA VAL B 47 7.519 -23.224 38.752 1.00 0.00 H new ATOM 0 HB VAL B 47 8.980 -25.168 38.415 1.00 0.00 H new ATOM 0 HG11 VAL B 47 11.143 -25.345 39.582 1.00 0.00 H new ATOM 0 HG12 VAL B 47 11.150 -24.070 38.340 1.00 0.00 H new ATOM 0 HG13 VAL B 47 11.014 -23.635 40.060 1.00 0.00 H new ATOM 0 HG21 VAL B 47 9.083 -25.930 40.758 1.00 0.00 H new ATOM 0 HG22 VAL B 47 8.825 -24.256 41.303 1.00 0.00 H new ATOM 0 HG23 VAL B 47 7.553 -25.100 40.388 1.00 0.00 H new ATOM 1935 N GLU B 48 7.979 -21.819 40.784 1.00 0.00 N ATOM 1936 CA GLU B 48 8.147 -20.826 41.831 1.00 0.00 C ATOM 1937 C GLU B 48 7.915 -21.443 43.215 1.00 0.00 C ATOM 1938 O GLU B 48 7.824 -22.667 43.344 1.00 0.00 O ATOM 1939 CB GLU B 48 7.239 -19.608 41.569 1.00 0.00 C ATOM 1940 CG GLU B 48 5.932 -19.932 40.849 1.00 0.00 C ATOM 1941 CD GLU B 48 4.800 -20.294 41.789 1.00 0.00 C ATOM 1942 OE1 GLU B 48 5.049 -20.995 42.782 1.00 0.00 O ATOM 1943 OE2 GLU B 48 3.646 -19.893 41.518 1.00 0.00 O ATOM 0 H GLU B 48 7.091 -22.320 40.818 1.00 0.00 H new ATOM 0 HA GLU B 48 9.177 -20.470 41.816 1.00 0.00 H new ATOM 0 HB2 GLU B 48 7.005 -19.134 42.522 1.00 0.00 H new ATOM 0 HB3 GLU B 48 7.793 -18.879 40.978 1.00 0.00 H new ATOM 0 HG2 GLU B 48 5.634 -19.073 40.248 1.00 0.00 H new ATOM 0 HG3 GLU B 48 6.101 -20.760 40.160 1.00 0.00 H new ATOM 1950 N GLU B 49 7.825 -20.596 44.236 1.00 0.00 N ATOM 1951 CA GLU B 49 7.832 -21.046 45.629 1.00 0.00 C ATOM 1952 C GLU B 49 6.549 -21.764 46.027 1.00 0.00 C ATOM 1953 O GLU B 49 6.552 -22.616 46.916 1.00 0.00 O ATOM 1954 CB GLU B 49 8.039 -19.850 46.562 1.00 0.00 C ATOM 1955 CG GLU B 49 9.318 -19.076 46.299 1.00 0.00 C ATOM 1956 CD GLU B 49 9.462 -17.882 47.218 1.00 0.00 C ATOM 1957 OE1 GLU B 49 9.931 -18.058 48.362 1.00 0.00 O ATOM 1958 OE2 GLU B 49 9.107 -16.758 46.804 1.00 0.00 O ATOM 0 H GLU B 49 7.746 -19.585 44.125 1.00 0.00 H new ATOM 0 HA GLU B 49 8.653 -21.757 45.722 1.00 0.00 H new ATOM 0 HB2 GLU B 49 7.190 -19.174 46.463 1.00 0.00 H new ATOM 0 HB3 GLU B 49 8.046 -20.203 47.593 1.00 0.00 H new ATOM 0 HG2 GLU B 49 10.174 -19.738 46.429 1.00 0.00 H new ATOM 0 HG3 GLU B 49 9.330 -18.738 45.263 1.00 0.00 H new ATOM 1965 N ILE B 50 5.460 -21.427 45.372 1.00 0.00 N ATOM 1966 CA ILE B 50 4.153 -21.898 45.793 1.00 0.00 C ATOM 1967 C ILE B 50 3.784 -23.177 45.045 1.00 0.00 C ATOM 1968 O ILE B 50 2.875 -23.910 45.442 1.00 0.00 O ATOM 1969 CB ILE B 50 3.046 -20.819 45.596 1.00 0.00 C ATOM 1970 CG1 ILE B 50 3.478 -19.457 46.168 1.00 0.00 C ATOM 1971 CG2 ILE B 50 1.747 -21.254 46.264 1.00 0.00 C ATOM 1972 CD1 ILE B 50 4.347 -18.635 45.239 1.00 0.00 C ATOM 0 H ILE B 50 5.450 -20.829 44.546 1.00 0.00 H new ATOM 0 HA ILE B 50 4.214 -22.109 46.861 1.00 0.00 H new ATOM 0 HB ILE B 50 2.887 -20.713 44.523 1.00 0.00 H new ATOM 0 HG12 ILE B 50 2.586 -18.881 46.416 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.019 -19.623 47.100 1.00 0.00 H new ATOM 0 HG21 ILE B 50 0.987 -20.487 46.115 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.408 -22.192 45.824 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.916 -21.395 47.332 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.605 -17.692 45.721 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.259 -19.187 45.010 1.00 0.00 H new ATOM 0 HD13 ILE B 50 3.804 -18.434 44.316 1.00 0.00 H new ATOM 2090 N THR B 57 1.684 -37.143 52.210 1.00 0.00 N ATOM 2091 CA THR B 57 0.548 -37.219 53.107 1.00 0.00 C ATOM 2092 C THR B 57 1.003 -37.673 54.488 1.00 0.00 C ATOM 2093 O THR B 57 2.124 -38.164 54.656 1.00 0.00 O ATOM 2094 CB THR B 57 -0.528 -38.189 52.566 1.00 0.00 C ATOM 2095 OG1 THR B 57 -1.688 -38.181 53.409 1.00 0.00 O ATOM 2096 CG2 THR B 57 0.015 -39.607 52.465 1.00 0.00 C ATOM 0 HA THR B 57 0.107 -36.224 53.178 1.00 0.00 H new ATOM 0 HB THR B 57 -0.807 -37.847 51.569 1.00 0.00 H new ATOM 0 HG1 THR B 57 -2.358 -38.799 53.049 1.00 0.00 H new ATOM 0 HG21 THR B 57 -0.763 -40.268 52.082 1.00 0.00 H new ATOM 0 HG22 THR B 57 0.870 -39.622 51.789 1.00 0.00 H new ATOM 0 HG23 THR B 57 0.327 -39.948 53.452 1.00 0.00 H new ATOM 2104 N TRP B 58 0.139 -37.493 55.475 1.00 0.00 N ATOM 2105 CA TRP B 58 0.418 -37.957 56.817 1.00 0.00 C ATOM 2106 C TRP B 58 -0.147 -39.360 56.977 1.00 0.00 C ATOM 2107 O TRP B 58 -1.285 -39.631 56.580 1.00 0.00 O ATOM 2108 CB TRP B 58 -0.190 -37.001 57.846 1.00 0.00 C ATOM 2109 CG TRP B 58 0.230 -37.287 59.254 1.00 0.00 C ATOM 2110 CD1 TRP B 58 1.458 -37.061 59.801 1.00 0.00 C ATOM 2111 CD2 TRP B 58 -0.581 -37.835 60.297 1.00 0.00 C ATOM 2112 NE1 TRP B 58 1.463 -37.441 61.120 1.00 0.00 N ATOM 2113 CE2 TRP B 58 0.223 -37.922 61.449 1.00 0.00 C ATOM 2114 CE3 TRP B 58 -1.905 -38.267 60.365 1.00 0.00 C ATOM 2115 CZ2 TRP B 58 -0.260 -38.414 62.657 1.00 0.00 C ATOM 2116 CZ3 TRP B 58 -2.382 -38.758 61.563 1.00 0.00 C ATOM 2117 CH2 TRP B 58 -1.561 -38.830 62.695 1.00 0.00 C ATOM 0 H TRP B 58 -0.762 -37.027 55.367 1.00 0.00 H new ATOM 0 HA TRP B 58 1.495 -37.983 56.985 1.00 0.00 H new ATOM 0 HB2 TRP B 58 0.093 -35.980 57.592 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -1.277 -37.056 57.782 1.00 0.00 H new ATOM 0 HD1 TRP B 58 2.303 -36.644 59.274 1.00 0.00 H new ATOM 0 HE1 TRP B 58 2.260 -37.376 61.753 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -2.545 -38.218 59.496 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 0.370 -38.465 63.533 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -3.407 -39.093 61.629 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -1.964 -39.222 63.617 1.00 0.00 H new ATOM 2128 N MET B 59 0.649 -40.246 57.545 1.00 0.00 N ATOM 2129 CA MET B 59 0.282 -41.652 57.625 1.00 0.00 C ATOM 2130 C MET B 59 0.512 -42.197 59.025 1.00 0.00 C ATOM 2131 O MET B 59 1.535 -41.898 59.649 1.00 0.00 O ATOM 2132 CB MET B 59 1.102 -42.460 56.612 1.00 0.00 C ATOM 2133 CG MET B 59 0.773 -43.945 56.588 1.00 0.00 C ATOM 2134 SD MET B 59 1.883 -44.875 55.512 1.00 0.00 S ATOM 2135 CE MET B 59 1.252 -46.537 55.737 1.00 0.00 C ATOM 0 H MET B 59 1.554 -40.020 57.958 1.00 0.00 H new ATOM 0 HA MET B 59 -0.779 -41.743 57.393 1.00 0.00 H new ATOM 0 HB2 MET B 59 0.939 -42.047 55.617 1.00 0.00 H new ATOM 0 HB3 MET B 59 2.161 -42.337 56.838 1.00 0.00 H new ATOM 0 HG2 MET B 59 0.833 -44.344 57.600 1.00 0.00 H new ATOM 0 HG3 MET B 59 -0.255 -44.082 56.252 1.00 0.00 H new ATOM 0 HE1 MET B 59 1.836 -47.233 55.134 1.00 0.00 H new ATOM 0 HE2 MET B 59 1.327 -46.816 56.788 1.00 0.00 H new ATOM 0 HE3 MET B 59 0.208 -46.575 55.426 1.00 0.00 H new ATOM 2145 N SER B 60 -0.447 -42.995 59.491 1.00 0.00 N ATOM 2146 CA SER B 60 -0.383 -43.673 60.770 1.00 0.00 C ATOM 2147 C SER B 60 -0.447 -42.701 61.948 1.00 0.00 C ATOM 2148 O SER B 60 0.392 -41.815 62.104 1.00 0.00 O ATOM 2149 CB SER B 60 0.872 -44.527 60.840 1.00 0.00 C ATOM 2150 OG SER B 60 0.989 -45.359 59.692 1.00 0.00 O ATOM 0 H SER B 60 -1.305 -43.188 58.974 1.00 0.00 H new ATOM 0 HA SER B 60 -1.260 -44.315 60.848 1.00 0.00 H new ATOM 0 HB2 SER B 60 1.749 -43.885 60.918 1.00 0.00 H new ATOM 0 HB3 SER B 60 0.847 -45.143 61.739 1.00 0.00 H new ATOM 0 HG SER B 60 1.805 -45.897 59.760 1.00 0.00 H new ATOM 2156 N SER B 61 -1.451 -42.889 62.789 1.00 0.00 N ATOM 2157 CA SER B 61 -1.628 -42.057 63.966 1.00 0.00 C ATOM 2158 C SER B 61 -1.176 -42.820 65.205 1.00 0.00 C ATOM 2159 O SER B 61 -1.205 -42.294 66.319 1.00 0.00 O ATOM 2160 CB SER B 61 -3.099 -41.638 64.099 1.00 0.00 C ATOM 2161 OG SER B 61 -3.297 -40.750 65.190 1.00 0.00 O ATOM 0 H SER B 61 -2.159 -43.615 62.677 1.00 0.00 H new ATOM 0 HA SER B 61 -1.021 -41.157 63.866 1.00 0.00 H new ATOM 0 HB2 SER B 61 -3.425 -41.159 63.176 1.00 0.00 H new ATOM 0 HB3 SER B 61 -3.719 -42.524 64.234 1.00 0.00 H new ATOM 0 HG SER B 61 -2.584 -40.878 65.850 1.00 0.00 H new ATOM 2167 N LEU B 62 -0.712 -44.052 64.979 1.00 0.00 N ATOM 2168 CA LEU B 62 -0.378 -44.975 66.046 1.00 0.00 C ATOM 2169 C LEU B 62 -1.553 -45.102 67.004 1.00 0.00 C ATOM 2170 O LEU B 62 -1.594 -44.465 68.058 1.00 0.00 O ATOM 2171 CB LEU B 62 0.897 -44.551 66.782 1.00 0.00 C ATOM 2172 CG LEU B 62 2.194 -44.588 65.957 1.00 0.00 C ATOM 2173 CD1 LEU B 62 2.290 -43.395 65.016 1.00 0.00 C ATOM 2174 CD2 LEU B 62 3.402 -44.637 66.876 1.00 0.00 C ATOM 0 H LEU B 62 -0.560 -44.431 64.044 1.00 0.00 H new ATOM 0 HA LEU B 62 -0.177 -45.952 65.606 1.00 0.00 H new ATOM 0 HB2 LEU B 62 0.757 -43.537 67.157 1.00 0.00 H new ATOM 0 HB3 LEU B 62 1.024 -45.197 67.651 1.00 0.00 H new ATOM 0 HG LEU B 62 2.177 -45.491 65.347 1.00 0.00 H new ATOM 0 HD11 LEU B 62 3.219 -43.453 64.448 1.00 0.00 H new ATOM 0 HD12 LEU B 62 1.444 -43.404 64.329 1.00 0.00 H new ATOM 0 HD13 LEU B 62 2.276 -42.472 65.596 1.00 0.00 H new ATOM 0 HD21 LEU B 62 4.313 -44.663 66.278 1.00 0.00 H new ATOM 0 HD22 LEU B 62 3.411 -43.752 67.513 1.00 0.00 H new ATOM 0 HD23 LEU B 62 3.350 -45.531 67.497 1.00 0.00 H new ATOM 2186 N GLU B 63 -2.526 -45.905 66.601 1.00 0.00 N ATOM 2187 CA GLU B 63 -3.772 -46.029 67.335 1.00 0.00 C ATOM 2188 C GLU B 63 -3.542 -46.776 68.648 1.00 0.00 C ATOM 2189 O GLU B 63 -2.840 -47.790 68.688 1.00 0.00 O ATOM 2190 CB GLU B 63 -4.807 -46.751 66.469 1.00 0.00 C ATOM 2191 CG GLU B 63 -6.241 -46.301 66.702 1.00 0.00 C ATOM 2192 CD GLU B 63 -6.812 -46.774 68.021 1.00 0.00 C ATOM 2193 OE1 GLU B 63 -7.282 -47.927 68.083 1.00 0.00 O ATOM 2194 OE2 GLU B 63 -6.814 -45.984 68.987 1.00 0.00 O ATOM 0 H GLU B 63 -2.474 -46.484 65.763 1.00 0.00 H new ATOM 0 HA GLU B 63 -4.150 -45.035 67.576 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -4.556 -46.597 65.419 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -4.739 -47.822 66.659 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -6.283 -45.212 66.666 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -6.867 -46.671 65.890 1.00 0.00 H new ATOM 2201 N HIS B 64 -4.139 -46.268 69.712 1.00 0.00 N ATOM 2202 CA HIS B 64 -3.948 -46.837 71.038 1.00 0.00 C ATOM 2203 C HIS B 64 -4.978 -47.928 71.309 1.00 0.00 C ATOM 2204 O HIS B 64 -5.923 -47.745 72.076 1.00 0.00 O ATOM 2205 CB HIS B 64 -3.989 -45.742 72.120 1.00 0.00 C ATOM 2206 CG HIS B 64 -5.211 -44.867 72.094 1.00 0.00 C ATOM 2207 ND1 HIS B 64 -5.357 -43.804 71.229 1.00 0.00 N ATOM 2208 CD2 HIS B 64 -6.341 -44.892 72.842 1.00 0.00 C ATOM 2209 CE1 HIS B 64 -6.516 -43.218 71.445 1.00 0.00 C ATOM 2210 NE2 HIS B 64 -7.135 -43.856 72.420 1.00 0.00 N ATOM 0 H HIS B 64 -4.762 -45.461 69.685 1.00 0.00 H new ATOM 0 HA HIS B 64 -2.960 -47.295 71.074 1.00 0.00 H new ATOM 0 HB2 HIS B 64 -3.922 -46.217 73.099 1.00 0.00 H new ATOM 0 HB3 HIS B 64 -3.107 -45.111 72.011 1.00 0.00 H new ATOM 0 HD2 HIS B 64 -6.573 -45.598 73.626 1.00 0.00 H new ATOM 0 HE1 HIS B 64 -6.897 -42.359 70.913 1.00 0.00 H new ATOM 0 HE2 HIS B 64 -8.052 -43.618 72.798 1.00 0.00 H new ATOM 2219 N HIS B 65 -4.794 -49.061 70.648 1.00 0.00 N ATOM 2220 CA HIS B 65 -5.684 -50.197 70.817 1.00 0.00 C ATOM 2221 C HIS B 65 -5.434 -50.849 72.171 1.00 0.00 C ATOM 2222 O HIS B 65 -4.298 -51.178 72.517 1.00 0.00 O ATOM 2223 CB HIS B 65 -5.486 -51.207 69.683 1.00 0.00 C ATOM 2224 CG HIS B 65 -6.736 -51.498 68.908 1.00 0.00 C ATOM 2225 ND1 HIS B 65 -7.475 -50.520 68.277 1.00 0.00 N ATOM 2226 CD2 HIS B 65 -7.368 -52.668 68.647 1.00 0.00 C ATOM 2227 CE1 HIS B 65 -8.503 -51.074 67.664 1.00 0.00 C ATOM 2228 NE2 HIS B 65 -8.462 -52.378 67.867 1.00 0.00 N ATOM 0 H HIS B 65 -4.033 -49.217 69.987 1.00 0.00 H new ATOM 0 HA HIS B 65 -6.716 -49.849 70.781 1.00 0.00 H new ATOM 0 HB2 HIS B 65 -4.726 -50.828 69.000 1.00 0.00 H new ATOM 0 HB3 HIS B 65 -5.103 -52.138 70.101 1.00 0.00 H new ATOM 0 HD1 HIS B 65 -7.260 -49.523 68.283 1.00 0.00 H new ATOM 0 HD2 HIS B 65 -7.068 -53.647 68.989 1.00 0.00 H new ATOM 0 HE1 HIS B 65 -9.253 -50.549 67.092 1.00 0.00 H new ATOM 2237 N HIS B 66 -6.499 -51.032 72.930 1.00 0.00 N ATOM 2238 CA HIS B 66 -6.393 -51.476 74.308 1.00 0.00 C ATOM 2239 C HIS B 66 -6.505 -52.996 74.405 1.00 0.00 C ATOM 2240 O HIS B 66 -7.317 -53.616 73.714 1.00 0.00 O ATOM 2241 CB HIS B 66 -7.483 -50.802 75.151 1.00 0.00 C ATOM 2242 CG HIS B 66 -7.393 -51.089 76.619 1.00 0.00 C ATOM 2243 ND1 HIS B 66 -8.345 -51.812 77.299 1.00 0.00 N ATOM 2244 CD2 HIS B 66 -6.468 -50.729 77.541 1.00 0.00 C ATOM 2245 CE1 HIS B 66 -8.014 -51.886 78.572 1.00 0.00 C ATOM 2246 NE2 HIS B 66 -6.878 -51.238 78.747 1.00 0.00 N ATOM 0 H HIS B 66 -7.456 -50.878 72.612 1.00 0.00 H new ATOM 0 HA HIS B 66 -5.414 -51.190 74.692 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -7.428 -49.724 74.999 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -8.459 -51.126 74.788 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -5.575 -50.150 77.360 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -8.577 -52.392 79.342 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -6.385 -51.133 79.634 1.00 0.00 H new ATOM 2255 N HIS B 67 -5.664 -53.584 75.251 1.00 0.00 N ATOM 2256 CA HIS B 67 -5.730 -55.013 75.546 1.00 0.00 C ATOM 2257 C HIS B 67 -6.876 -55.283 76.514 1.00 0.00 C ATOM 2258 O HIS B 67 -7.821 -54.503 76.600 1.00 0.00 O ATOM 2259 CB HIS B 67 -4.416 -55.502 76.164 1.00 0.00 C ATOM 2260 CG HIS B 67 -3.217 -55.331 75.285 1.00 0.00 C ATOM 2261 ND1 HIS B 67 -2.194 -54.460 75.576 1.00 0.00 N ATOM 2262 CD2 HIS B 67 -2.866 -55.947 74.132 1.00 0.00 C ATOM 2263 CE1 HIS B 67 -1.269 -54.542 74.640 1.00 0.00 C ATOM 2264 NE2 HIS B 67 -1.650 -55.439 73.749 1.00 0.00 N ATOM 0 H HIS B 67 -4.923 -53.089 75.748 1.00 0.00 H new ATOM 0 HA HIS B 67 -5.898 -55.551 74.613 1.00 0.00 H new ATOM 0 HB2 HIS B 67 -4.246 -54.966 77.098 1.00 0.00 H new ATOM 0 HB3 HIS B 67 -4.518 -56.557 76.417 1.00 0.00 H new ATOM 0 HD2 HIS B 67 -3.438 -56.700 73.610 1.00 0.00 H new ATOM 0 HE1 HIS B 67 -0.353 -53.971 74.607 1.00 0.00 H new ATOM 0 HE2 HIS B 67 -1.128 -55.709 72.915 1.00 0.00 H new ATOM 2273 N HIS B 68 -6.801 -56.379 77.250 1.00 0.00 N ATOM 2274 CA HIS B 68 -7.814 -56.666 78.249 1.00 0.00 C ATOM 2275 C HIS B 68 -7.198 -57.363 79.452 1.00 0.00 C ATOM 2276 O HIS B 68 -7.122 -58.590 79.503 1.00 0.00 O ATOM 2277 CB HIS B 68 -8.941 -57.518 77.660 1.00 0.00 C ATOM 2278 CG HIS B 68 -10.222 -57.404 78.425 1.00 0.00 C ATOM 2279 ND1 HIS B 68 -11.414 -57.041 77.838 1.00 0.00 N ATOM 2280 CD2 HIS B 68 -10.496 -57.590 79.738 1.00 0.00 C ATOM 2281 CE1 HIS B 68 -12.359 -57.002 78.756 1.00 0.00 C ATOM 2282 NE2 HIS B 68 -11.830 -57.333 79.916 1.00 0.00 N ATOM 0 H HIS B 68 -6.060 -57.076 77.176 1.00 0.00 H new ATOM 0 HA HIS B 68 -8.240 -55.717 78.576 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -9.114 -57.218 76.626 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -8.628 -58.562 77.641 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -9.793 -57.886 80.503 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -13.393 -56.742 78.586 1.00 0.00 H new ATOM 0 HE2 HIS B 68 -12.332 -57.389 80.802 1.00 0.00 H new ATOM 2291 N HIS B 69 -6.744 -56.574 80.409 1.00 0.00 N ATOM 2292 CA HIS B 69 -6.183 -57.110 81.636 1.00 0.00 C ATOM 2293 C HIS B 69 -6.864 -56.460 82.833 1.00 0.00 C ATOM 2294 O HIS B 69 -7.861 -57.021 83.322 1.00 0.00 O ATOM 2295 CB HIS B 69 -4.668 -56.876 81.688 1.00 0.00 C ATOM 2296 CG HIS B 69 -3.986 -57.621 82.795 1.00 0.00 C ATOM 2297 ND1 HIS B 69 -3.294 -58.794 82.591 1.00 0.00 N ATOM 2298 CD2 HIS B 69 -3.897 -57.361 84.120 1.00 0.00 C ATOM 2299 CE1 HIS B 69 -2.814 -59.226 83.741 1.00 0.00 C ATOM 2300 NE2 HIS B 69 -3.164 -58.374 84.682 1.00 0.00 N ATOM 2301 OXT HIS B 69 -6.418 -55.374 83.259 1.00 0.00 O ATOM 0 H HIS B 69 -6.753 -55.555 80.359 1.00 0.00 H new ATOM 0 HA HIS B 69 -6.358 -58.186 81.665 1.00 0.00 H new ATOM 0 HB2 HIS B 69 -4.229 -57.174 80.736 1.00 0.00 H new ATOM 0 HB3 HIS B 69 -4.477 -55.809 81.807 1.00 0.00 H new ATOM 0 HD2 HIS B 69 -4.323 -56.514 84.638 1.00 0.00 H new ATOM 0 HE1 HIS B 69 -2.233 -60.125 83.886 1.00 0.00 H new ATOM 0 HE2 HIS B 69 -2.928 -58.455 85.671 1.00 0.00 H new