USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 59 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 38 ASN : amide:sc= 1.01 K(o=4.6,f=-0.67!) USER MOD Set 2.2: A 41 LYS NZ :NH3+ -158:sc= 1.17 (180deg=0) USER MOD Set 2.3: A 51 TYR OH : rot -163:sc= 2.37 USER MOD Set 3.1: A 18 ASN :FLIP amide:sc= 0.436 F(o=-0.66,f=0.68) USER MOD Set 3.2: A 19 THR OG1 : rot 30:sc= 0.249 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 78:sc= 0.0488 USER MOD Single : A 12 LYS NZ :NH3+ 141:sc= 2.11 (180deg=-0.428) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.00081 X(o=-0.00081,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0696 USER MOD Single : A 32 GLN : amide:sc= 0.859 K(o=0.86,f=-0.25) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 57 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-1.7) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -160:sc= 1.21 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.093) USER MOD Single : A 76 ASN : amide:sc= -4.37! C(o=-4.4!,f=-10!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -11.662 0.389 3.620 1.00 0.00 N ATOM 2 CA LYS A 5 -12.015 1.497 2.746 1.00 0.00 C ATOM 3 C LYS A 5 -10.778 2.324 2.392 1.00 0.00 C ATOM 4 O LYS A 5 -10.639 2.802 1.268 1.00 0.00 O ATOM 5 CB LYS A 5 -13.086 2.364 3.419 1.00 0.00 C ATOM 6 CG LYS A 5 -12.640 2.981 4.739 1.00 0.00 C ATOM 7 CD LYS A 5 -13.743 2.934 5.784 1.00 0.00 C ATOM 8 CE LYS A 5 -14.014 1.507 6.236 1.00 0.00 C ATOM 9 NZ LYS A 5 -15.062 1.440 7.285 1.00 0.00 N ATOM 0 HA LYS A 5 -12.421 1.101 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.376 3.162 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.974 1.757 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.764 2.450 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.339 4.016 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.460 3.542 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.655 3.367 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.322 0.909 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.092 1.067 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.213 0.449 7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.758 1.989 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.950 1.835 6.914 1.00 0.00 H new ATOM 23 N LEU A 6 -9.860 2.456 3.345 1.00 0.00 N ATOM 24 CA LEU A 6 -8.645 3.236 3.137 1.00 0.00 C ATOM 25 C LEU A 6 -7.589 2.412 2.414 1.00 0.00 C ATOM 26 O LEU A 6 -6.661 2.963 1.817 1.00 0.00 O ATOM 27 CB LEU A 6 -8.092 3.747 4.471 1.00 0.00 C ATOM 28 CG LEU A 6 -8.482 5.185 4.834 1.00 0.00 C ATOM 29 CD1 LEU A 6 -7.937 6.159 3.799 1.00 0.00 C ATOM 30 CD2 LEU A 6 -9.994 5.326 4.962 1.00 0.00 C ATOM 0 H LEU A 6 -9.935 2.032 4.270 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.901 4.094 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.434 3.084 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.004 3.679 4.445 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.041 5.424 5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.222 7.175 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.850 6.084 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.348 5.916 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.243 6.355 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.465 5.065 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.357 4.658 5.743 1.00 0.00 H new ATOM 42 N ARG A 7 -7.737 1.090 2.471 1.00 0.00 N ATOM 43 CA ARG A 7 -6.830 0.180 1.777 1.00 0.00 C ATOM 44 C ARG A 7 -6.736 0.521 0.293 1.00 0.00 C ATOM 45 O ARG A 7 -5.682 0.362 -0.312 1.00 0.00 O ATOM 46 CB ARG A 7 -7.270 -1.281 1.947 1.00 0.00 C ATOM 47 CG ARG A 7 -7.104 -1.831 3.354 1.00 0.00 C ATOM 48 CD ARG A 7 -5.750 -1.486 3.948 1.00 0.00 C ATOM 49 NE ARG A 7 -5.533 -2.140 5.240 1.00 0.00 N ATOM 50 CZ ARG A 7 -5.858 -1.602 6.420 1.00 0.00 C ATOM 51 NH1 ARG A 7 -6.547 -0.467 6.476 1.00 0.00 N ATOM 52 NH2 ARG A 7 -5.535 -2.225 7.546 1.00 0.00 N ATOM 0 H ARG A 7 -8.480 0.624 2.993 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.845 0.302 2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.318 -1.367 1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.697 -1.902 1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.892 -1.432 3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.226 -2.914 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.964 -1.784 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.673 -0.406 4.071 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.106 -3.066 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.832 -0.000 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.791 -0.063 7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.038 -3.115 7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.783 -1.814 8.446 1.00 0.00 H new ATOM 66 N TYR A 8 -7.834 1.002 -0.283 1.00 0.00 N ATOM 67 CA TYR A 8 -7.841 1.380 -1.692 1.00 0.00 C ATOM 68 C TYR A 8 -6.969 2.604 -1.930 1.00 0.00 C ATOM 69 O TYR A 8 -6.078 2.580 -2.775 1.00 0.00 O ATOM 70 CB TYR A 8 -9.262 1.661 -2.184 1.00 0.00 C ATOM 71 CG TYR A 8 -9.293 2.203 -3.601 1.00 0.00 C ATOM 72 CD1 TYR A 8 -9.128 1.361 -4.692 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.467 3.561 -3.841 1.00 0.00 C ATOM 74 CE1 TYR A 8 -9.132 1.855 -5.983 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.478 4.064 -5.128 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.307 3.207 -6.196 1.00 0.00 C ATOM 77 OH TYR A 8 -9.312 3.706 -7.479 1.00 0.00 O ATOM 0 H TYR A 8 -8.723 1.138 0.199 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.436 0.539 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -9.847 0.742 -2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.739 2.377 -1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.994 0.302 -4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.596 4.235 -3.007 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.999 1.186 -6.821 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.620 5.121 -5.297 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.180 3.525 -7.897 1.00 0.00 H new ATOM 87 N ALA A 9 -7.240 3.671 -1.185 1.00 0.00 N ATOM 88 CA ALA A 9 -6.514 4.925 -1.345 1.00 0.00 C ATOM 89 C ALA A 9 -5.018 4.711 -1.185 1.00 0.00 C ATOM 90 O ALA A 9 -4.225 5.141 -2.020 1.00 0.00 O ATOM 91 CB ALA A 9 -7.012 5.953 -0.343 1.00 0.00 C ATOM 0 H ALA A 9 -7.960 3.691 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.697 5.299 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.461 6.885 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.075 6.134 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.858 5.579 0.669 1.00 0.00 H new ATOM 97 N ILE A 10 -4.648 4.015 -0.123 1.00 0.00 N ATOM 98 CA ILE A 10 -3.250 3.732 0.162 1.00 0.00 C ATOM 99 C ILE A 10 -2.620 2.894 -0.950 1.00 0.00 C ATOM 100 O ILE A 10 -1.512 3.181 -1.403 1.00 0.00 O ATOM 101 CB ILE A 10 -3.107 3.023 1.527 1.00 0.00 C ATOM 102 CG1 ILE A 10 -3.517 3.989 2.645 1.00 0.00 C ATOM 103 CG2 ILE A 10 -1.684 2.512 1.738 1.00 0.00 C ATOM 104 CD1 ILE A 10 -3.381 3.416 4.035 1.00 0.00 C ATOM 0 H ILE A 10 -5.301 3.633 0.561 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.717 4.682 0.209 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.766 2.155 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.908 4.890 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.552 4.291 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.615 2.018 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.432 1.802 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.988 3.350 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.691 4.161 4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.012 2.532 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.342 3.140 4.215 1.00 0.00 H new ATOM 116 N LEU A 11 -3.344 1.880 -1.407 1.00 0.00 N ATOM 117 CA LEU A 11 -2.847 1.004 -2.460 1.00 0.00 C ATOM 118 C LEU A 11 -2.691 1.778 -3.772 1.00 0.00 C ATOM 119 O LEU A 11 -1.760 1.538 -4.540 1.00 0.00 O ATOM 120 CB LEU A 11 -3.797 -0.179 -2.662 1.00 0.00 C ATOM 121 CG LEU A 11 -3.164 -1.428 -3.282 1.00 0.00 C ATOM 122 CD1 LEU A 11 -2.167 -2.050 -2.319 1.00 0.00 C ATOM 123 CD2 LEU A 11 -4.232 -2.440 -3.663 1.00 0.00 C ATOM 0 H LEU A 11 -4.276 1.644 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.871 0.625 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.224 -0.450 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.622 0.143 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.636 -1.130 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.726 -2.937 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.381 -1.329 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.678 -2.331 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.760 -3.319 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.790 -2.733 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.913 -1.994 -4.388 1.00 0.00 H new ATOM 135 N LYS A 12 -3.600 2.721 -4.009 1.00 0.00 N ATOM 136 CA LYS A 12 -3.578 3.509 -5.235 1.00 0.00 C ATOM 137 C LYS A 12 -2.405 4.480 -5.239 1.00 0.00 C ATOM 138 O LYS A 12 -1.766 4.668 -6.265 1.00 0.00 O ATOM 139 CB LYS A 12 -4.883 4.285 -5.421 1.00 0.00 C ATOM 140 CG LYS A 12 -4.976 4.991 -6.765 1.00 0.00 C ATOM 141 CD LYS A 12 -6.262 5.791 -6.901 1.00 0.00 C ATOM 142 CE LYS A 12 -6.306 6.969 -5.938 1.00 0.00 C ATOM 143 NZ LYS A 12 -5.138 7.874 -6.100 1.00 0.00 N ATOM 0 H LYS A 12 -4.358 2.956 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.465 2.810 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.724 3.598 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.976 5.022 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.121 5.656 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.921 4.254 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.356 6.155 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.116 5.139 -6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.225 7.533 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.335 6.597 -4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.448 8.862 -6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.428 7.658 -5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.720 7.736 -7.042 1.00 0.00 H new ATOM 157 N GLU A 13 -2.117 5.092 -4.096 1.00 0.00 N ATOM 158 CA GLU A 13 -1.010 6.041 -4.010 1.00 0.00 C ATOM 159 C GLU A 13 0.311 5.347 -4.315 1.00 0.00 C ATOM 160 O GLU A 13 1.168 5.898 -5.007 1.00 0.00 O ATOM 161 CB GLU A 13 -0.957 6.706 -2.634 1.00 0.00 C ATOM 162 CG GLU A 13 -2.215 7.487 -2.290 1.00 0.00 C ATOM 163 CD GLU A 13 -2.578 8.512 -3.347 1.00 0.00 C ATOM 164 OE1 GLU A 13 -3.296 8.155 -4.307 1.00 0.00 O ATOM 165 OE2 GLU A 13 -2.157 9.680 -3.223 1.00 0.00 O ATOM 0 H GLU A 13 -2.627 4.951 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.177 6.820 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.795 5.941 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.100 7.378 -2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.045 6.792 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.074 7.992 -1.334 1.00 0.00 H new ATOM 172 N ILE A 14 0.454 4.124 -3.816 1.00 0.00 N ATOM 173 CA ILE A 14 1.626 3.310 -4.103 1.00 0.00 C ATOM 174 C ILE A 14 1.626 2.887 -5.572 1.00 0.00 C ATOM 175 O ILE A 14 2.672 2.753 -6.198 1.00 0.00 O ATOM 176 CB ILE A 14 1.660 2.053 -3.200 1.00 0.00 C ATOM 177 CG1 ILE A 14 1.643 2.457 -1.722 1.00 0.00 C ATOM 178 CG2 ILE A 14 2.889 1.206 -3.502 1.00 0.00 C ATOM 179 CD1 ILE A 14 1.439 1.294 -0.772 1.00 0.00 C ATOM 0 H ILE A 14 -0.231 3.675 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 14 2.513 3.910 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 14 0.772 1.457 -3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.584 2.951 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.849 3.187 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.893 0.328 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.866 0.890 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.789 1.794 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.439 1.659 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.485 0.812 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.246 0.573 -0.901 1.00 0.00 H new ATOM 191 N PHE A 15 0.437 2.702 -6.123 1.00 0.00 N ATOM 192 CA PHE A 15 0.294 2.283 -7.509 1.00 0.00 C ATOM 193 C PHE A 15 0.575 3.441 -8.473 1.00 0.00 C ATOM 194 O PHE A 15 1.206 3.253 -9.512 1.00 0.00 O ATOM 195 CB PHE A 15 -1.114 1.724 -7.744 1.00 0.00 C ATOM 196 CG PHE A 15 -1.340 1.198 -9.135 1.00 0.00 C ATOM 197 CD1 PHE A 15 -0.735 0.022 -9.554 1.00 0.00 C ATOM 198 CD2 PHE A 15 -2.164 1.876 -10.021 1.00 0.00 C ATOM 199 CE1 PHE A 15 -0.946 -0.465 -10.829 1.00 0.00 C ATOM 200 CE2 PHE A 15 -2.377 1.393 -11.297 1.00 0.00 C ATOM 201 CZ PHE A 15 -1.767 0.220 -11.701 1.00 0.00 C ATOM 0 H PHE A 15 -0.446 2.836 -5.630 1.00 0.00 H new ATOM 0 HA PHE A 15 1.028 1.501 -7.705 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.299 0.922 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.844 2.508 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.092 -0.519 -8.876 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.644 2.792 -9.710 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.469 -1.381 -11.143 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.019 1.931 -11.979 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.933 -0.160 -12.698 1.00 0.00 H new ATOM 211 N GLU A 16 0.106 4.637 -8.128 1.00 0.00 N ATOM 212 CA GLU A 16 0.256 5.793 -9.009 1.00 0.00 C ATOM 213 C GLU A 16 1.645 6.416 -8.893 1.00 0.00 C ATOM 214 O GLU A 16 2.243 6.804 -9.899 1.00 0.00 O ATOM 215 CB GLU A 16 -0.797 6.864 -8.690 1.00 0.00 C ATOM 216 CG GLU A 16 -2.242 6.395 -8.803 1.00 0.00 C ATOM 217 CD GLU A 16 -3.166 7.508 -9.252 1.00 0.00 C ATOM 218 OE1 GLU A 16 -3.037 7.954 -10.408 1.00 0.00 O ATOM 219 OE2 GLU A 16 -4.021 7.950 -8.455 1.00 0.00 O ATOM 0 H GLU A 16 -0.378 4.831 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 16 0.117 5.432 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.627 7.230 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.651 7.709 -9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.300 5.568 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.576 6.014 -7.838 1.00 0.00 H new ATOM 226 N GLY A 17 2.165 6.497 -7.676 1.00 0.00 N ATOM 227 CA GLY A 17 3.431 7.168 -7.458 1.00 0.00 C ATOM 228 C GLY A 17 4.594 6.207 -7.335 1.00 0.00 C ATOM 229 O GLY A 17 5.751 6.631 -7.297 1.00 0.00 O ATOM 0 H GLY A 17 1.733 6.111 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.619 7.854 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.366 7.770 -6.551 1.00 0.00 H new ATOM 233 N ASN A 18 4.274 4.917 -7.269 1.00 0.00 N ATOM 234 CA ASN A 18 5.260 3.849 -7.107 1.00 0.00 C ATOM 235 C ASN A 18 5.868 3.925 -5.713 1.00 0.00 C ATOM 236 O ASN A 18 5.322 3.355 -4.775 1.00 0.00 O ATOM 237 CB ASN A 18 6.356 3.895 -8.191 1.00 0.00 C ATOM 238 CG ASN A 18 7.190 2.622 -8.241 1.00 0.00 C ATOM 239 OD1 ASN A 18 8.282 2.585 -7.491 1.00 0.00 O flip ATOM 240 ND2 ASN A 18 6.858 1.676 -8.955 1.00 0.00 N flip ATOM 0 H ASN A 18 3.313 4.579 -7.327 1.00 0.00 H new ATOM 0 HA ASN A 18 4.747 2.895 -7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.892 4.058 -9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.011 4.746 -8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.011 1.736 -9.520 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.430 0.832 -8.981 1.00 0.00 H new ATOM 247 N THR A 19 6.965 4.675 -5.589 1.00 0.00 N ATOM 248 CA THR A 19 7.687 4.870 -4.327 1.00 0.00 C ATOM 249 C THR A 19 8.926 5.728 -4.580 1.00 0.00 C ATOM 250 O THR A 19 9.381 5.827 -5.723 1.00 0.00 O ATOM 251 CB THR A 19 8.121 3.536 -3.674 1.00 0.00 C ATOM 252 OG1 THR A 19 8.277 2.519 -4.670 1.00 0.00 O ATOM 253 CG2 THR A 19 7.118 3.086 -2.622 1.00 0.00 C ATOM 0 H THR A 19 7.384 5.172 -6.374 1.00 0.00 H new ATOM 0 HA THR A 19 7.003 5.365 -3.638 1.00 0.00 H new ATOM 0 HB THR A 19 9.080 3.702 -3.182 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.554 2.929 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.450 2.146 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.042 3.845 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.142 2.944 -3.087 1.00 0.00 H new ATOM 261 N PRO A 20 9.493 6.375 -3.545 1.00 0.00 N ATOM 262 CA PRO A 20 9.002 6.317 -2.165 1.00 0.00 C ATOM 263 C PRO A 20 7.847 7.284 -1.923 1.00 0.00 C ATOM 264 O PRO A 20 7.573 8.155 -2.749 1.00 0.00 O ATOM 265 CB PRO A 20 10.214 6.760 -1.328 1.00 0.00 C ATOM 266 CG PRO A 20 11.306 7.099 -2.296 1.00 0.00 C ATOM 267 CD PRO A 20 10.673 7.232 -3.649 1.00 0.00 C ATOM 0 HA PRO A 20 8.624 5.325 -1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.963 7.622 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.529 5.965 -0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.800 8.027 -2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.069 6.321 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.404 8.265 -3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.343 6.902 -4.443 1.00 0.00 H new ATOM 275 N LEU A 21 7.178 7.127 -0.791 1.00 0.00 N ATOM 276 CA LEU A 21 6.147 8.065 -0.375 1.00 0.00 C ATOM 277 C LEU A 21 6.082 8.112 1.146 1.00 0.00 C ATOM 278 O LEU A 21 6.047 7.073 1.809 1.00 0.00 O ATOM 279 CB LEU A 21 4.769 7.709 -0.966 1.00 0.00 C ATOM 280 CG LEU A 21 4.053 6.489 -0.368 1.00 0.00 C ATOM 281 CD1 LEU A 21 2.602 6.461 -0.816 1.00 0.00 C ATOM 282 CD2 LEU A 21 4.736 5.189 -0.768 1.00 0.00 C ATOM 0 H LEU A 21 7.332 6.355 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 21 6.413 9.050 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.117 8.575 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.892 7.540 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 21 4.099 6.579 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.105 5.592 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.100 7.369 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.558 6.403 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.202 4.347 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.730 5.094 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.766 5.194 -0.410 1.00 0.00 H new ATOM 294 N SER A 22 6.118 9.315 1.691 1.00 0.00 N ATOM 295 CA SER A 22 6.059 9.502 3.129 1.00 0.00 C ATOM 296 C SER A 22 4.611 9.528 3.596 1.00 0.00 C ATOM 297 O SER A 22 3.689 9.586 2.779 1.00 0.00 O ATOM 298 CB SER A 22 6.764 10.802 3.519 1.00 0.00 C ATOM 299 OG SER A 22 8.061 10.874 2.945 1.00 0.00 O ATOM 0 H SER A 22 6.188 10.181 1.156 1.00 0.00 H new ATOM 0 HA SER A 22 6.567 8.668 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.170 11.654 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.840 10.867 4.604 1.00 0.00 H new ATOM 0 HG SER A 22 8.489 11.715 3.209 1.00 0.00 H new ATOM 305 N GLU A 23 4.419 9.496 4.905 1.00 0.00 N ATOM 306 CA GLU A 23 3.092 9.562 5.493 1.00 0.00 C ATOM 307 C GLU A 23 2.366 10.830 5.037 1.00 0.00 C ATOM 308 O GLU A 23 1.168 10.805 4.756 1.00 0.00 O ATOM 309 CB GLU A 23 3.172 9.508 7.031 1.00 0.00 C ATOM 310 CG GLU A 23 4.128 10.521 7.655 1.00 0.00 C ATOM 311 CD GLU A 23 5.578 10.057 7.678 1.00 0.00 C ATOM 312 OE1 GLU A 23 6.247 10.108 6.622 1.00 0.00 O ATOM 313 OE2 GLU A 23 6.059 9.658 8.755 1.00 0.00 O ATOM 0 H GLU A 23 5.175 9.424 5.586 1.00 0.00 H new ATOM 0 HA GLU A 23 2.524 8.697 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.175 9.671 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.479 8.506 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.064 11.458 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.806 10.731 8.675 1.00 0.00 H new ATOM 320 N ASN A 24 3.107 11.932 4.931 1.00 0.00 N ATOM 321 CA ASN A 24 2.538 13.195 4.477 1.00 0.00 C ATOM 322 C ASN A 24 2.161 13.124 2.998 1.00 0.00 C ATOM 323 O ASN A 24 1.155 13.689 2.579 1.00 0.00 O ATOM 324 CB ASN A 24 3.517 14.350 4.719 1.00 0.00 C ATOM 325 CG ASN A 24 2.946 15.693 4.297 1.00 0.00 C ATOM 326 OD1 ASN A 24 2.220 16.337 5.058 1.00 0.00 O ATOM 327 ND2 ASN A 24 3.297 16.144 3.102 1.00 0.00 N ATOM 0 H ASN A 24 4.102 11.973 5.154 1.00 0.00 H new ATOM 0 HA ASN A 24 1.632 13.380 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.778 14.386 5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.439 14.162 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.965 17.054 2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.899 15.581 2.501 1.00 0.00 H new ATOM 334 N ASP A 25 2.965 12.407 2.217 1.00 0.00 N ATOM 335 CA ASP A 25 2.718 12.257 0.782 1.00 0.00 C ATOM 336 C ASP A 25 1.423 11.502 0.538 1.00 0.00 C ATOM 337 O ASP A 25 0.606 11.891 -0.296 1.00 0.00 O ATOM 338 CB ASP A 25 3.865 11.505 0.090 1.00 0.00 C ATOM 339 CG ASP A 25 5.156 12.291 0.038 1.00 0.00 C ATOM 340 OD1 ASP A 25 5.181 13.353 -0.612 1.00 0.00 O ATOM 341 OD2 ASP A 25 6.158 11.840 0.630 1.00 0.00 O ATOM 0 H ASP A 25 3.795 11.919 2.553 1.00 0.00 H new ATOM 0 HA ASP A 25 2.647 13.261 0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.041 10.566 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.562 11.251 -0.926 1.00 0.00 H new ATOM 346 N ILE A 26 1.242 10.421 1.278 1.00 0.00 N ATOM 347 CA ILE A 26 0.082 9.563 1.101 1.00 0.00 C ATOM 348 C ILE A 26 -1.151 10.160 1.789 1.00 0.00 C ATOM 349 O ILE A 26 -2.285 9.881 1.405 1.00 0.00 O ATOM 350 CB ILE A 26 0.373 8.136 1.618 1.00 0.00 C ATOM 351 CG1 ILE A 26 -0.782 7.191 1.287 1.00 0.00 C ATOM 352 CG2 ILE A 26 0.655 8.144 3.112 1.00 0.00 C ATOM 353 CD1 ILE A 26 -0.528 5.762 1.703 1.00 0.00 C ATOM 0 H ILE A 26 1.885 10.116 2.009 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.132 9.497 0.034 1.00 0.00 H new ATOM 0 HB ILE A 26 1.266 7.771 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.686 7.549 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.970 7.221 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.856 7.127 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.522 8.772 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.211 8.538 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.388 5.147 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.358 5.386 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.370 5.719 2.781 1.00 0.00 H new ATOM 365 N GLY A 27 -0.921 10.992 2.800 1.00 0.00 N ATOM 366 CA GLY A 27 -2.009 11.728 3.418 1.00 0.00 C ATOM 367 C GLY A 27 -2.553 11.067 4.670 1.00 0.00 C ATOM 368 O GLY A 27 -3.605 11.463 5.174 1.00 0.00 O ATOM 0 H GLY A 27 -0.001 11.170 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.663 12.731 3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.817 11.840 2.696 1.00 0.00 H new ATOM 372 N VAL A 28 -1.842 10.070 5.182 1.00 0.00 N ATOM 373 CA VAL A 28 -2.266 9.379 6.394 1.00 0.00 C ATOM 374 C VAL A 28 -1.174 9.446 7.455 1.00 0.00 C ATOM 375 O VAL A 28 -0.037 9.819 7.165 1.00 0.00 O ATOM 376 CB VAL A 28 -2.641 7.898 6.128 1.00 0.00 C ATOM 377 CG1 VAL A 28 -3.754 7.798 5.094 1.00 0.00 C ATOM 378 CG2 VAL A 28 -1.428 7.092 5.686 1.00 0.00 C ATOM 0 H VAL A 28 -0.972 9.722 4.779 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.160 9.890 6.752 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.003 7.475 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.000 6.750 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.637 8.323 5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.423 8.249 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.724 6.058 5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.023 7.518 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.667 7.122 6.466 1.00 0.00 H new ATOM 388 N THR A 29 -1.523 9.092 8.679 1.00 0.00 N ATOM 389 CA THR A 29 -0.574 9.122 9.782 1.00 0.00 C ATOM 390 C THR A 29 0.343 7.905 9.741 1.00 0.00 C ATOM 391 O THR A 29 0.073 6.947 9.013 1.00 0.00 O ATOM 392 CB THR A 29 -1.309 9.144 11.134 1.00 0.00 C ATOM 393 OG1 THR A 29 -2.206 8.026 11.215 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.085 10.439 11.309 1.00 0.00 C ATOM 0 H THR A 29 -2.459 8.779 8.937 1.00 0.00 H new ATOM 0 HA THR A 29 0.021 10.029 9.676 1.00 0.00 H new ATOM 0 HB THR A 29 -0.568 9.077 11.930 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.671 8.042 12.077 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.596 10.430 12.272 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.397 11.283 11.271 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.820 10.534 10.510 1.00 0.00 H new ATOM 402 N GLU A 30 1.422 7.945 10.520 1.00 0.00 N ATOM 403 CA GLU A 30 2.296 6.786 10.672 1.00 0.00 C ATOM 404 C GLU A 30 1.473 5.620 11.195 1.00 0.00 C ATOM 405 O GLU A 30 1.630 4.480 10.768 1.00 0.00 O ATOM 406 CB GLU A 30 3.410 7.072 11.677 1.00 0.00 C ATOM 407 CG GLU A 30 4.070 8.426 11.520 1.00 0.00 C ATOM 408 CD GLU A 30 4.934 8.765 12.714 1.00 0.00 C ATOM 409 OE1 GLU A 30 4.446 8.614 13.856 1.00 0.00 O ATOM 410 OE2 GLU A 30 6.093 9.184 12.524 1.00 0.00 O ATOM 0 H GLU A 30 1.711 8.765 11.054 1.00 0.00 H new ATOM 0 HA GLU A 30 2.739 6.555 9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.000 6.997 12.684 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.172 6.298 11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.679 8.432 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.305 9.192 11.394 1.00 0.00 H new ATOM 417 N ASP A 31 0.589 5.948 12.127 1.00 0.00 N ATOM 418 CA ASP A 31 -0.312 4.987 12.747 1.00 0.00 C ATOM 419 C ASP A 31 -1.169 4.265 11.710 1.00 0.00 C ATOM 420 O ASP A 31 -1.268 3.036 11.724 1.00 0.00 O ATOM 421 CB ASP A 31 -1.199 5.718 13.758 1.00 0.00 C ATOM 422 CG ASP A 31 -2.384 4.896 14.207 1.00 0.00 C ATOM 423 OD1 ASP A 31 -2.199 3.968 15.018 1.00 0.00 O ATOM 424 OD2 ASP A 31 -3.509 5.178 13.749 1.00 0.00 O ATOM 0 H ASP A 31 0.476 6.899 12.478 1.00 0.00 H new ATOM 0 HA ASP A 31 0.284 4.228 13.254 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.601 5.989 14.628 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.556 6.648 13.315 1.00 0.00 H new ATOM 429 N GLN A 32 -1.779 5.025 10.808 1.00 0.00 N ATOM 430 CA GLN A 32 -2.617 4.439 9.768 1.00 0.00 C ATOM 431 C GLN A 32 -1.767 3.734 8.717 1.00 0.00 C ATOM 432 O GLN A 32 -2.168 2.706 8.175 1.00 0.00 O ATOM 433 CB GLN A 32 -3.493 5.507 9.107 1.00 0.00 C ATOM 434 CG GLN A 32 -4.577 6.065 10.018 1.00 0.00 C ATOM 435 CD GLN A 32 -5.499 4.984 10.556 1.00 0.00 C ATOM 436 OE1 GLN A 32 -6.485 4.622 9.919 1.00 0.00 O ATOM 437 NE2 GLN A 32 -5.199 4.477 11.742 1.00 0.00 N ATOM 0 H GLN A 32 -1.710 6.042 10.775 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.266 3.701 10.241 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.858 6.326 8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.961 5.081 8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.111 6.589 10.853 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.166 6.800 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.371 4.803 12.241 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.795 3.761 12.156 1.00 0.00 H new ATOM 446 N PHE A 33 -0.593 4.291 8.439 1.00 0.00 N ATOM 447 CA PHE A 33 0.333 3.696 7.482 1.00 0.00 C ATOM 448 C PHE A 33 0.787 2.329 7.987 1.00 0.00 C ATOM 449 O PHE A 33 0.760 1.339 7.255 1.00 0.00 O ATOM 450 CB PHE A 33 1.542 4.620 7.286 1.00 0.00 C ATOM 451 CG PHE A 33 2.309 4.380 6.014 1.00 0.00 C ATOM 452 CD1 PHE A 33 3.312 3.425 5.954 1.00 0.00 C ATOM 453 CD2 PHE A 33 2.032 5.125 4.878 1.00 0.00 C ATOM 454 CE1 PHE A 33 4.021 3.216 4.787 1.00 0.00 C ATOM 455 CE2 PHE A 33 2.737 4.919 3.709 1.00 0.00 C ATOM 456 CZ PHE A 33 3.734 3.964 3.663 1.00 0.00 C ATOM 0 H PHE A 33 -0.260 5.156 8.864 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.170 3.568 6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.199 5.655 7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.218 4.498 8.132 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.542 2.837 6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.256 5.875 4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.799 2.468 4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.509 5.504 2.831 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.288 3.803 2.750 1.00 0.00 H new ATOM 466 N ASP A 34 1.178 2.291 9.255 1.00 0.00 N ATOM 467 CA ASP A 34 1.600 1.058 9.914 1.00 0.00 C ATOM 468 C ASP A 34 0.492 0.013 9.859 1.00 0.00 C ATOM 469 O ASP A 34 0.704 -1.102 9.387 1.00 0.00 O ATOM 470 CB ASP A 34 1.970 1.354 11.372 1.00 0.00 C ATOM 471 CG ASP A 34 2.416 0.122 12.135 1.00 0.00 C ATOM 472 OD1 ASP A 34 1.548 -0.597 12.673 1.00 0.00 O ATOM 473 OD2 ASP A 34 3.638 -0.117 12.222 1.00 0.00 O ATOM 0 H ASP A 34 1.212 3.114 9.857 1.00 0.00 H new ATOM 0 HA ASP A 34 2.471 0.662 9.392 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.768 2.096 11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.110 1.795 11.876 1.00 0.00 H new ATOM 478 N ASP A 35 -0.694 0.405 10.322 1.00 0.00 N ATOM 479 CA ASP A 35 -1.858 -0.479 10.362 1.00 0.00 C ATOM 480 C ASP A 35 -2.131 -1.096 8.993 1.00 0.00 C ATOM 481 O ASP A 35 -2.215 -2.321 8.848 1.00 0.00 O ATOM 482 CB ASP A 35 -3.087 0.316 10.821 1.00 0.00 C ATOM 483 CG ASP A 35 -4.338 -0.534 10.957 1.00 0.00 C ATOM 484 OD1 ASP A 35 -4.941 -0.898 9.926 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.741 -0.821 12.104 1.00 0.00 O ATOM 0 H ASP A 35 -0.875 1.343 10.680 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.651 -1.286 11.064 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.869 0.785 11.780 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.278 1.119 10.109 1.00 0.00 H new ATOM 490 N ALA A 36 -2.243 -0.236 7.990 1.00 0.00 N ATOM 491 CA ALA A 36 -2.621 -0.658 6.654 1.00 0.00 C ATOM 492 C ALA A 36 -1.556 -1.527 6.000 1.00 0.00 C ATOM 493 O ALA A 36 -1.849 -2.635 5.548 1.00 0.00 O ATOM 494 CB ALA A 36 -2.913 0.549 5.782 1.00 0.00 C ATOM 0 H ALA A 36 -2.075 0.766 8.081 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.522 -1.263 6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.195 0.216 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.731 1.123 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.023 1.175 5.718 1.00 0.00 H new ATOM 500 N VAL A 37 -0.324 -1.033 5.957 1.00 0.00 N ATOM 501 CA VAL A 37 0.744 -1.709 5.231 1.00 0.00 C ATOM 502 C VAL A 37 1.083 -3.063 5.849 1.00 0.00 C ATOM 503 O VAL A 37 1.307 -4.035 5.126 1.00 0.00 O ATOM 504 CB VAL A 37 2.013 -0.831 5.142 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.138 -1.572 4.437 1.00 0.00 C ATOM 506 CG2 VAL A 37 1.705 0.469 4.414 1.00 0.00 C ATOM 0 H VAL A 37 -0.040 -0.167 6.416 1.00 0.00 H new ATOM 0 HA VAL A 37 0.373 -1.882 4.221 1.00 0.00 H new ATOM 0 HB VAL A 37 2.338 -0.601 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.020 -0.933 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.379 -2.480 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.823 -1.835 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.608 1.078 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.354 0.247 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.932 1.015 4.955 1.00 0.00 H new ATOM 516 N ASN A 38 1.103 -3.140 7.176 1.00 0.00 N ATOM 517 CA ASN A 38 1.387 -4.406 7.852 1.00 0.00 C ATOM 518 C ASN A 38 0.303 -5.432 7.542 1.00 0.00 C ATOM 519 O ASN A 38 0.593 -6.614 7.324 1.00 0.00 O ATOM 520 CB ASN A 38 1.520 -4.217 9.365 1.00 0.00 C ATOM 521 CG ASN A 38 2.812 -3.525 9.757 1.00 0.00 C ATOM 522 OD1 ASN A 38 3.825 -3.630 9.062 1.00 0.00 O ATOM 523 ND2 ASN A 38 2.792 -2.826 10.879 1.00 0.00 N ATOM 0 H ASN A 38 0.929 -2.352 7.800 1.00 0.00 H new ATOM 0 HA ASN A 38 2.341 -4.774 7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.675 -3.633 9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.471 -5.190 9.854 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.635 -2.349 11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.933 -2.764 11.426 1.00 0.00 H new ATOM 530 N PHE A 39 -0.945 -4.973 7.506 1.00 0.00 N ATOM 531 CA PHE A 39 -2.068 -5.824 7.134 1.00 0.00 C ATOM 532 C PHE A 39 -1.949 -6.247 5.669 1.00 0.00 C ATOM 533 O PHE A 39 -2.095 -7.422 5.336 1.00 0.00 O ATOM 534 CB PHE A 39 -3.390 -5.089 7.371 1.00 0.00 C ATOM 535 CG PHE A 39 -4.610 -5.898 7.026 1.00 0.00 C ATOM 536 CD1 PHE A 39 -5.066 -6.888 7.881 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.302 -5.666 5.848 1.00 0.00 C ATOM 538 CE1 PHE A 39 -6.189 -7.629 7.569 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.426 -6.404 5.532 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.870 -7.388 6.392 1.00 0.00 C ATOM 0 H PHE A 39 -1.203 -4.012 7.731 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.051 -6.719 7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.447 -4.794 8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.395 -4.173 6.781 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.537 -7.083 8.802 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.959 -4.899 5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.535 -8.397 8.245 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.958 -6.211 4.612 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.747 -7.968 6.145 1.00 0.00 H new ATOM 550 N LEU A 40 -1.658 -5.278 4.804 1.00 0.00 N ATOM 551 CA LEU A 40 -1.512 -5.529 3.373 1.00 0.00 C ATOM 552 C LEU A 40 -0.398 -6.541 3.099 1.00 0.00 C ATOM 553 O LEU A 40 -0.546 -7.432 2.258 1.00 0.00 O ATOM 554 CB LEU A 40 -1.213 -4.219 2.638 1.00 0.00 C ATOM 555 CG LEU A 40 -2.367 -3.218 2.546 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.846 -1.857 2.114 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.408 -3.706 1.558 1.00 0.00 C ATOM 0 H LEU A 40 -1.518 -4.304 5.073 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.450 -5.946 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.375 -3.731 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.887 -4.460 1.626 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.828 -3.127 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.676 -1.153 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.119 -1.498 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.369 -1.943 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.223 -2.985 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.952 -3.815 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.798 -4.669 1.886 1.00 0.00 H new ATOM 569 N LYS A 41 0.713 -6.396 3.813 1.00 0.00 N ATOM 570 CA LYS A 41 1.853 -7.292 3.655 1.00 0.00 C ATOM 571 C LYS A 41 1.496 -8.698 4.124 1.00 0.00 C ATOM 572 O LYS A 41 1.930 -9.687 3.535 1.00 0.00 O ATOM 573 CB LYS A 41 3.056 -6.778 4.458 1.00 0.00 C ATOM 574 CG LYS A 41 4.348 -7.543 4.189 1.00 0.00 C ATOM 575 CD LYS A 41 5.444 -7.178 5.182 1.00 0.00 C ATOM 576 CE LYS A 41 5.142 -7.723 6.570 1.00 0.00 C ATOM 577 NZ LYS A 41 6.193 -7.363 7.557 1.00 0.00 N ATOM 0 H LYS A 41 0.849 -5.663 4.510 1.00 0.00 H new ATOM 0 HA LYS A 41 2.114 -7.322 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.213 -5.725 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.824 -6.838 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.153 -8.614 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.691 -7.331 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.398 -7.574 4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.547 -6.094 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.181 -7.337 6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.050 -8.808 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.163 -8.029 8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.127 -7.410 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.026 -6.398 7.906 1.00 0.00 H new ATOM 591 N ARG A 42 0.696 -8.776 5.180 1.00 0.00 N ATOM 592 CA ARG A 42 0.334 -10.055 5.779 1.00 0.00 C ATOM 593 C ARG A 42 -0.528 -10.879 4.830 1.00 0.00 C ATOM 594 O ARG A 42 -0.325 -12.084 4.680 1.00 0.00 O ATOM 595 CB ARG A 42 -0.416 -9.825 7.092 1.00 0.00 C ATOM 596 CG ARG A 42 -0.562 -11.078 7.943 1.00 0.00 C ATOM 597 CD ARG A 42 -1.441 -10.831 9.159 1.00 0.00 C ATOM 598 NE ARG A 42 -2.841 -10.633 8.786 1.00 0.00 N ATOM 599 CZ ARG A 42 -3.831 -10.460 9.658 1.00 0.00 C ATOM 600 NH1 ARG A 42 -3.579 -10.380 10.959 1.00 0.00 N ATOM 601 NH2 ARG A 42 -5.077 -10.347 9.219 1.00 0.00 N ATOM 0 H ARG A 42 0.284 -7.965 5.641 1.00 0.00 H new ATOM 0 HA ARG A 42 1.252 -10.608 5.978 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.107 -9.063 7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.407 -9.431 6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.990 -11.879 7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.423 -11.415 8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.363 -11.677 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.080 -9.954 9.696 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.074 -10.627 7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.620 -10.451 11.298 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.345 -10.247 11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.271 -10.393 8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.841 -10.214 9.882 1.00 0.00 H new ATOM 615 N GLU A 43 -1.486 -10.219 4.189 1.00 0.00 N ATOM 616 CA GLU A 43 -2.402 -10.900 3.279 1.00 0.00 C ATOM 617 C GLU A 43 -1.728 -11.163 1.933 1.00 0.00 C ATOM 618 O GLU A 43 -2.158 -12.027 1.167 1.00 0.00 O ATOM 619 CB GLU A 43 -3.670 -10.070 3.075 1.00 0.00 C ATOM 620 CG GLU A 43 -4.308 -9.592 4.372 1.00 0.00 C ATOM 621 CD GLU A 43 -4.619 -10.716 5.338 1.00 0.00 C ATOM 622 OE1 GLU A 43 -5.585 -11.468 5.096 1.00 0.00 O ATOM 623 OE2 GLU A 43 -3.912 -10.840 6.359 1.00 0.00 O ATOM 0 H GLU A 43 -1.649 -9.216 4.282 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.675 -11.856 3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.430 -9.204 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.397 -10.664 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.639 -8.881 4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.229 -9.057 4.140 1.00 0.00 H new ATOM 630 N GLY A 44 -0.675 -10.405 1.649 1.00 0.00 N ATOM 631 CA GLY A 44 0.092 -10.621 0.439 1.00 0.00 C ATOM 632 C GLY A 44 -0.375 -9.763 -0.721 1.00 0.00 C ATOM 633 O GLY A 44 -0.399 -10.215 -1.865 1.00 0.00 O ATOM 0 H GLY A 44 -0.339 -9.643 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.143 -10.411 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.026 -11.672 0.156 1.00 0.00 H new ATOM 637 N TYR A 45 -0.740 -8.519 -0.435 1.00 0.00 N ATOM 638 CA TYR A 45 -1.184 -7.606 -1.482 1.00 0.00 C ATOM 639 C TYR A 45 -0.001 -6.875 -2.109 1.00 0.00 C ATOM 640 O TYR A 45 -0.030 -6.529 -3.289 1.00 0.00 O ATOM 641 CB TYR A 45 -2.206 -6.607 -0.934 1.00 0.00 C ATOM 642 CG TYR A 45 -3.507 -7.253 -0.505 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.214 -8.075 -1.377 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.031 -7.041 0.763 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.401 -8.668 -0.995 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.221 -7.631 1.152 1.00 0.00 C ATOM 647 CZ TYR A 45 -5.899 -8.444 0.268 1.00 0.00 C ATOM 648 OH TYR A 45 -7.078 -9.043 0.650 1.00 0.00 O ATOM 0 H TYR A 45 -0.738 -8.122 0.504 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.666 -8.198 -2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.771 -6.083 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.415 -5.857 -1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.828 -8.252 -2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.501 -6.405 1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.936 -9.305 -1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.616 -7.456 2.142 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.293 -8.785 1.571 1.00 0.00 H new ATOM 658 N ILE A 46 1.041 -6.645 -1.320 1.00 0.00 N ATOM 659 CA ILE A 46 2.273 -6.054 -1.829 1.00 0.00 C ATOM 660 C ILE A 46 3.475 -6.724 -1.175 1.00 0.00 C ATOM 661 O ILE A 46 3.345 -7.350 -0.120 1.00 0.00 O ATOM 662 CB ILE A 46 2.375 -4.515 -1.600 1.00 0.00 C ATOM 663 CG1 ILE A 46 2.630 -4.163 -0.123 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.133 -3.797 -2.111 1.00 0.00 C ATOM 665 CD1 ILE A 46 1.499 -4.520 0.811 1.00 0.00 C ATOM 0 H ILE A 46 1.058 -6.859 -0.323 1.00 0.00 H new ATOM 0 HA ILE A 46 2.262 -6.219 -2.906 1.00 0.00 H new ATOM 0 HB ILE A 46 3.235 -4.170 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.533 -4.675 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.824 -3.093 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.235 -2.726 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.019 -3.982 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.255 -4.169 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.765 -4.237 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.597 -3.987 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.317 -5.594 0.769 1.00 0.00 H new ATOM 677 N ILE A 47 4.632 -6.602 -1.806 1.00 0.00 N ATOM 678 CA ILE A 47 5.865 -7.143 -1.258 1.00 0.00 C ATOM 679 C ILE A 47 6.947 -6.076 -1.276 1.00 0.00 C ATOM 680 O ILE A 47 6.851 -5.103 -2.026 1.00 0.00 O ATOM 681 CB ILE A 47 6.376 -8.400 -2.016 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.733 -8.085 -3.484 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.352 -9.526 -1.936 1.00 0.00 C ATOM 684 CD1 ILE A 47 5.541 -7.938 -4.411 1.00 0.00 C ATOM 0 H ILE A 47 4.743 -6.130 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 47 5.641 -7.452 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 47 7.293 -8.727 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.313 -7.163 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.376 -8.878 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.727 -10.398 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.180 -9.788 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.415 -9.198 -2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.890 -7.718 -5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.970 -8.866 -4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.906 -7.124 -4.061 1.00 0.00 H new ATOM 696 N GLY A 48 7.960 -6.250 -0.445 1.00 0.00 N ATOM 697 CA GLY A 48 9.055 -5.304 -0.410 1.00 0.00 C ATOM 698 C GLY A 48 8.803 -4.175 0.561 1.00 0.00 C ATOM 699 O GLY A 48 9.287 -3.060 0.372 1.00 0.00 O ATOM 0 H GLY A 48 8.045 -7.030 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.972 -5.823 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.211 -4.895 -1.408 1.00 0.00 H new ATOM 703 N VAL A 49 8.036 -4.462 1.602 1.00 0.00 N ATOM 704 CA VAL A 49 7.745 -3.474 2.626 1.00 0.00 C ATOM 705 C VAL A 49 9.002 -3.183 3.431 1.00 0.00 C ATOM 706 O VAL A 49 9.480 -4.031 4.185 1.00 0.00 O ATOM 707 CB VAL A 49 6.620 -3.945 3.570 1.00 0.00 C ATOM 708 CG1 VAL A 49 6.367 -2.917 4.665 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.349 -4.210 2.780 1.00 0.00 C ATOM 0 H VAL A 49 7.604 -5.373 1.759 1.00 0.00 H new ATOM 0 HA VAL A 49 7.405 -2.566 2.127 1.00 0.00 H new ATOM 0 HB VAL A 49 6.935 -4.874 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.570 -3.270 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.277 -2.774 5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.073 -1.969 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.562 -4.542 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.034 -3.294 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.538 -4.984 2.036 1.00 0.00 H new ATOM 719 N HIS A 50 9.546 -1.990 3.254 1.00 0.00 N ATOM 720 CA HIS A 50 10.802 -1.637 3.891 1.00 0.00 C ATOM 721 C HIS A 50 10.562 -0.990 5.248 1.00 0.00 C ATOM 722 O HIS A 50 9.751 -0.074 5.379 1.00 0.00 O ATOM 723 CB HIS A 50 11.607 -0.687 3.004 1.00 0.00 C ATOM 724 CG HIS A 50 13.066 -0.655 3.343 1.00 0.00 C ATOM 725 ND1 HIS A 50 13.613 0.206 4.268 1.00 0.00 N ATOM 726 CD2 HIS A 50 14.092 -1.398 2.872 1.00 0.00 C ATOM 727 CE1 HIS A 50 14.914 -0.011 4.349 1.00 0.00 C ATOM 728 NE2 HIS A 50 15.231 -0.979 3.512 1.00 0.00 N ATOM 0 H HIS A 50 9.139 -1.254 2.677 1.00 0.00 H new ATOM 0 HA HIS A 50 11.370 -2.556 4.037 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.489 -0.986 1.962 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.198 0.319 3.095 1.00 0.00 H new ATOM 0 HD2 HIS A 50 14.027 -2.178 2.128 1.00 0.00 H new ATOM 0 HE1 HIS A 50 15.602 0.516 4.993 1.00 0.00 H new ATOM 0 HE2 HIS A 50 16.168 -1.354 3.365 1.00 0.00 H new ATOM 737 N TYR A 51 11.268 -1.477 6.249 1.00 0.00 N ATOM 738 CA TYR A 51 11.224 -0.897 7.579 1.00 0.00 C ATOM 739 C TYR A 51 12.511 -0.129 7.837 1.00 0.00 C ATOM 740 O TYR A 51 13.575 -0.508 7.348 1.00 0.00 O ATOM 741 CB TYR A 51 11.032 -1.990 8.636 1.00 0.00 C ATOM 742 CG TYR A 51 9.715 -2.727 8.508 1.00 0.00 C ATOM 743 CD1 TYR A 51 9.560 -3.766 7.595 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.623 -2.382 9.295 1.00 0.00 C ATOM 745 CE1 TYR A 51 8.357 -4.433 7.469 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.416 -3.046 9.174 1.00 0.00 C ATOM 747 CZ TYR A 51 7.290 -4.071 8.261 1.00 0.00 C ATOM 748 OH TYR A 51 6.089 -4.737 8.132 1.00 0.00 O ATOM 0 H TYR A 51 11.887 -2.283 6.165 1.00 0.00 H new ATOM 0 HA TYR A 51 10.378 -0.213 7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.850 -2.707 8.559 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.094 -1.541 9.627 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.395 -4.056 6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.719 -1.581 10.014 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.254 -5.235 6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.576 -2.763 9.792 1.00 0.00 H new ATOM 0 HH TYR A 51 5.376 -4.210 8.551 1.00 0.00 H new ATOM 758 N SER A 52 12.414 0.960 8.578 1.00 0.00 N ATOM 759 CA SER A 52 13.576 1.794 8.837 1.00 0.00 C ATOM 760 C SER A 52 13.609 2.210 10.301 1.00 0.00 C ATOM 761 O SER A 52 14.599 2.004 11.003 1.00 0.00 O ATOM 762 CB SER A 52 13.547 3.021 7.923 1.00 0.00 C ATOM 763 OG SER A 52 14.743 3.773 8.018 1.00 0.00 O ATOM 0 H SER A 52 11.549 1.287 9.009 1.00 0.00 H new ATOM 0 HA SER A 52 14.481 1.225 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.398 2.703 6.891 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.698 3.652 8.188 1.00 0.00 H new ATOM 0 HG SER A 52 14.762 4.448 7.308 1.00 0.00 H new ATOM 769 N ASP A 53 12.508 2.773 10.754 1.00 0.00 N ATOM 770 CA ASP A 53 12.363 3.206 12.140 1.00 0.00 C ATOM 771 C ASP A 53 11.505 2.205 12.905 1.00 0.00 C ATOM 772 O ASP A 53 10.895 2.544 13.925 1.00 0.00 O ATOM 773 CB ASP A 53 11.720 4.597 12.195 1.00 0.00 C ATOM 774 CG ASP A 53 10.286 4.599 11.697 1.00 0.00 C ATOM 775 OD1 ASP A 53 9.881 3.630 11.031 1.00 0.00 O ATOM 776 OD2 ASP A 53 9.551 5.569 11.971 1.00 0.00 O ATOM 0 H ASP A 53 11.685 2.946 10.177 1.00 0.00 H new ATOM 0 HA ASP A 53 13.350 3.258 12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.745 4.964 13.221 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.310 5.290 11.595 1.00 0.00 H new ATOM 781 N ASP A 54 11.481 0.972 12.387 1.00 0.00 N ATOM 782 CA ASP A 54 10.661 -0.124 12.921 1.00 0.00 C ATOM 783 C ASP A 54 9.221 -0.030 12.401 1.00 0.00 C ATOM 784 O ASP A 54 8.421 -0.951 12.559 1.00 0.00 O ATOM 785 CB ASP A 54 10.709 -0.168 14.456 1.00 0.00 C ATOM 786 CG ASP A 54 9.879 -1.283 15.048 1.00 0.00 C ATOM 787 OD1 ASP A 54 10.159 -2.463 14.751 1.00 0.00 O ATOM 788 OD2 ASP A 54 8.962 -0.981 15.841 1.00 0.00 O ATOM 0 H ASP A 54 12.037 0.703 11.575 1.00 0.00 H new ATOM 0 HA ASP A 54 11.083 -1.063 12.563 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.744 -0.285 14.777 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.359 0.786 14.851 1.00 0.00 H new ATOM 793 N ARG A 55 8.894 1.086 11.756 1.00 0.00 N ATOM 794 CA ARG A 55 7.626 1.208 11.054 1.00 0.00 C ATOM 795 C ARG A 55 7.857 1.112 9.551 1.00 0.00 C ATOM 796 O ARG A 55 8.986 1.281 9.077 1.00 0.00 O ATOM 797 CB ARG A 55 6.906 2.523 11.389 1.00 0.00 C ATOM 798 CG ARG A 55 6.172 2.505 12.721 1.00 0.00 C ATOM 799 CD ARG A 55 7.118 2.738 13.883 1.00 0.00 C ATOM 800 NE ARG A 55 7.822 4.007 13.737 1.00 0.00 N ATOM 801 CZ ARG A 55 7.803 4.988 14.637 1.00 0.00 C ATOM 802 NH1 ARG A 55 7.098 4.860 15.756 1.00 0.00 N ATOM 803 NH2 ARG A 55 8.476 6.105 14.404 1.00 0.00 N ATOM 0 H ARG A 55 9.488 1.914 11.706 1.00 0.00 H new ATOM 0 HA ARG A 55 6.986 0.390 11.384 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.636 3.332 11.399 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.193 2.747 10.596 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.399 3.273 12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.669 1.546 12.847 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.559 2.734 14.819 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.839 1.922 13.939 1.00 0.00 H new ATOM 0 HE ARG A 55 8.366 4.153 12.887 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.567 4.006 15.930 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.088 5.615 16.441 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.005 6.210 13.538 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.465 6.860 15.090 1.00 0.00 H new ATOM 817 N PRO A 56 6.798 0.819 8.786 1.00 0.00 N ATOM 818 CA PRO A 56 6.878 0.712 7.331 1.00 0.00 C ATOM 819 C PRO A 56 7.161 2.058 6.669 1.00 0.00 C ATOM 820 O PRO A 56 6.431 3.027 6.865 1.00 0.00 O ATOM 821 CB PRO A 56 5.490 0.194 6.917 1.00 0.00 C ATOM 822 CG PRO A 56 4.842 -0.269 8.180 1.00 0.00 C ATOM 823 CD PRO A 56 5.439 0.561 9.277 1.00 0.00 C ATOM 0 HA PRO A 56 7.694 0.059 7.021 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.904 0.980 6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.574 -0.621 6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.761 -0.138 8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.027 -1.330 8.348 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.883 1.485 9.433 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.447 0.029 10.228 1.00 0.00 H new ATOM 831 N HIS A 57 8.243 2.115 5.909 1.00 0.00 N ATOM 832 CA HIS A 57 8.576 3.292 5.118 1.00 0.00 C ATOM 833 C HIS A 57 9.048 2.846 3.746 1.00 0.00 C ATOM 834 O HIS A 57 10.154 2.326 3.595 1.00 0.00 O ATOM 835 CB HIS A 57 9.653 4.151 5.793 1.00 0.00 C ATOM 836 CG HIS A 57 9.191 4.841 7.038 1.00 0.00 C ATOM 837 ND1 HIS A 57 8.701 6.130 7.057 1.00 0.00 N ATOM 838 CD2 HIS A 57 9.166 4.416 8.319 1.00 0.00 C ATOM 839 CE1 HIS A 57 8.398 6.463 8.299 1.00 0.00 C ATOM 840 NE2 HIS A 57 8.670 5.440 9.085 1.00 0.00 N ATOM 0 H HIS A 57 8.913 1.351 5.822 1.00 0.00 H new ATOM 0 HA HIS A 57 7.682 3.909 5.028 1.00 0.00 H new ATOM 0 HB2 HIS A 57 10.507 3.519 6.036 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.003 4.901 5.083 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.480 3.446 8.676 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.995 7.413 8.617 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.534 5.414 10.096 1.00 0.00 H new ATOM 849 N LEU A 58 8.196 3.034 2.757 1.00 0.00 N ATOM 850 CA LEU A 58 8.457 2.543 1.415 1.00 0.00 C ATOM 851 C LEU A 58 9.409 3.466 0.672 1.00 0.00 C ATOM 852 O LEU A 58 9.141 4.656 0.532 1.00 0.00 O ATOM 853 CB LEU A 58 7.137 2.400 0.663 1.00 0.00 C ATOM 854 CG LEU A 58 6.093 1.522 1.362 1.00 0.00 C ATOM 855 CD1 LEU A 58 4.812 1.457 0.550 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.637 0.122 1.599 1.00 0.00 C ATOM 0 H LEU A 58 7.309 3.528 2.858 1.00 0.00 H new ATOM 0 HA LEU A 58 8.937 1.567 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.713 3.392 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.340 1.984 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 58 5.867 1.974 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.086 0.828 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.404 2.461 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.025 1.035 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.879 -0.483 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.897 -0.334 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.526 0.179 2.227 1.00 0.00 H new ATOM 868 N TYR A 59 10.523 2.903 0.211 1.00 0.00 N ATOM 869 CA TYR A 59 11.539 3.670 -0.500 1.00 0.00 C ATOM 870 C TYR A 59 11.527 3.343 -1.990 1.00 0.00 C ATOM 871 O TYR A 59 10.663 2.607 -2.455 1.00 0.00 O ATOM 872 CB TYR A 59 12.927 3.412 0.092 1.00 0.00 C ATOM 873 CG TYR A 59 13.084 3.935 1.503 1.00 0.00 C ATOM 874 CD1 TYR A 59 13.156 5.299 1.755 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.158 3.065 2.581 1.00 0.00 C ATOM 876 CE1 TYR A 59 13.298 5.779 3.043 1.00 0.00 C ATOM 877 CE2 TYR A 59 13.301 3.538 3.870 1.00 0.00 C ATOM 878 CZ TYR A 59 13.369 4.896 4.097 1.00 0.00 C ATOM 879 OH TYR A 59 13.506 5.370 5.382 1.00 0.00 O ATOM 0 H TYR A 59 10.744 1.913 0.319 1.00 0.00 H new ATOM 0 HA TYR A 59 11.304 4.728 -0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.123 2.340 0.086 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.678 3.877 -0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.100 5.995 0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.103 2.000 2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.353 6.843 3.222 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.359 2.847 4.698 1.00 0.00 H new ATOM 0 HH TYR A 59 13.078 6.249 5.454 1.00 0.00 H new ATOM 889 N LYS A 60 12.503 3.883 -2.718 1.00 0.00 N ATOM 890 CA LYS A 60 12.529 3.812 -4.181 1.00 0.00 C ATOM 891 C LYS A 60 12.487 2.370 -4.685 1.00 0.00 C ATOM 892 O LYS A 60 11.661 2.022 -5.524 1.00 0.00 O ATOM 893 CB LYS A 60 13.790 4.494 -4.713 1.00 0.00 C ATOM 894 CG LYS A 60 14.033 5.878 -4.142 1.00 0.00 C ATOM 895 CD LYS A 60 15.395 6.404 -4.545 1.00 0.00 C ATOM 896 CE LYS A 60 15.702 7.732 -3.877 1.00 0.00 C ATOM 897 NZ LYS A 60 17.105 8.155 -4.117 1.00 0.00 N ATOM 0 H LYS A 60 13.296 4.381 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 60 11.640 4.325 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.652 3.865 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.720 4.567 -5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.258 6.560 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.960 5.844 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.161 5.676 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.434 6.523 -5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.022 8.495 -4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.525 7.650 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.278 9.066 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.754 7.438 -3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.267 8.258 -5.139 1.00 0.00 H new ATOM 911 N LEU A 61 13.386 1.540 -4.180 1.00 0.00 N ATOM 912 CA LEU A 61 13.468 0.158 -4.628 1.00 0.00 C ATOM 913 C LEU A 61 13.015 -0.789 -3.529 1.00 0.00 C ATOM 914 O LEU A 61 13.389 -0.629 -2.365 1.00 0.00 O ATOM 915 CB LEU A 61 14.896 -0.201 -5.070 1.00 0.00 C ATOM 916 CG LEU A 61 15.364 0.413 -6.400 1.00 0.00 C ATOM 917 CD1 LEU A 61 14.320 0.208 -7.487 1.00 0.00 C ATOM 918 CD2 LEU A 61 15.697 1.889 -6.243 1.00 0.00 C ATOM 0 H LEU A 61 14.066 1.797 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 61 12.805 0.050 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.587 0.110 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.969 -1.286 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 61 16.276 -0.103 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.673 0.651 -8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.151 -0.859 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.386 0.685 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.024 2.292 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.811 2.428 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.494 2.006 -5.509 1.00 0.00 H new ATOM 930 N GLY A 62 12.201 -1.765 -3.903 1.00 0.00 N ATOM 931 CA GLY A 62 11.707 -2.728 -2.942 1.00 0.00 C ATOM 932 C GLY A 62 10.216 -2.982 -3.083 1.00 0.00 C ATOM 933 O GLY A 62 9.814 -4.052 -3.540 1.00 0.00 O ATOM 0 H GLY A 62 11.873 -1.907 -4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.245 -3.668 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.917 -2.370 -1.934 1.00 0.00 H new ATOM 937 N PRO A 63 9.372 -2.000 -2.713 1.00 0.00 N ATOM 938 CA PRO A 63 7.910 -2.152 -2.707 1.00 0.00 C ATOM 939 C PRO A 63 7.318 -2.387 -4.095 1.00 0.00 C ATOM 940 O PRO A 63 7.464 -1.562 -4.997 1.00 0.00 O ATOM 941 CB PRO A 63 7.408 -0.815 -2.141 1.00 0.00 C ATOM 942 CG PRO A 63 8.592 -0.206 -1.475 1.00 0.00 C ATOM 943 CD PRO A 63 9.776 -0.659 -2.268 1.00 0.00 C ATOM 0 HA PRO A 63 7.612 -3.025 -2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.026 -0.170 -2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.593 -0.968 -1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.520 0.882 -1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.668 -0.530 -0.437 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.977 0.004 -3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.682 -0.689 -1.662 1.00 0.00 H new ATOM 951 N GLU A 64 6.662 -3.529 -4.250 1.00 0.00 N ATOM 952 CA GLU A 64 5.936 -3.861 -5.469 1.00 0.00 C ATOM 953 C GLU A 64 4.561 -4.419 -5.116 1.00 0.00 C ATOM 954 O GLU A 64 4.360 -4.937 -4.018 1.00 0.00 O ATOM 955 CB GLU A 64 6.705 -4.891 -6.298 1.00 0.00 C ATOM 956 CG GLU A 64 7.977 -4.360 -6.932 1.00 0.00 C ATOM 957 CD GLU A 64 8.699 -5.418 -7.735 1.00 0.00 C ATOM 958 OE1 GLU A 64 8.177 -5.830 -8.793 1.00 0.00 O ATOM 959 OE2 GLU A 64 9.788 -5.856 -7.306 1.00 0.00 O ATOM 0 H GLU A 64 6.618 -4.253 -3.533 1.00 0.00 H new ATOM 0 HA GLU A 64 5.824 -2.951 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.957 -5.738 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.051 -5.268 -7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.734 -3.518 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.639 -3.983 -6.153 1.00 0.00 H new ATOM 966 N LEU A 65 3.620 -4.317 -6.042 1.00 0.00 N ATOM 967 CA LEU A 65 2.282 -4.853 -5.831 1.00 0.00 C ATOM 968 C LEU A 65 2.177 -6.252 -6.424 1.00 0.00 C ATOM 969 O LEU A 65 2.800 -6.551 -7.444 1.00 0.00 O ATOM 970 CB LEU A 65 1.211 -3.950 -6.463 1.00 0.00 C ATOM 971 CG LEU A 65 0.935 -2.620 -5.747 1.00 0.00 C ATOM 972 CD1 LEU A 65 2.063 -1.624 -5.973 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.391 -2.038 -6.214 1.00 0.00 C ATOM 0 H LEU A 65 3.757 -3.868 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 65 2.108 -4.895 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.509 -3.731 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.278 -4.511 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 65 0.877 -2.818 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.836 -0.693 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.996 -2.037 -5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.166 -1.427 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.576 -1.095 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.353 -1.863 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.195 -2.738 -5.988 1.00 0.00 H new ATOM 985 N THR A 66 1.400 -7.110 -5.784 1.00 0.00 N ATOM 986 CA THR A 66 1.163 -8.437 -6.314 1.00 0.00 C ATOM 987 C THR A 66 -0.101 -8.428 -7.159 1.00 0.00 C ATOM 988 O THR A 66 -0.855 -7.452 -7.149 1.00 0.00 O ATOM 989 CB THR A 66 1.012 -9.483 -5.192 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.113 -9.156 -4.369 1.00 0.00 O ATOM 991 CG2 THR A 66 2.267 -9.556 -4.336 1.00 0.00 C ATOM 0 H THR A 66 0.927 -6.911 -4.903 1.00 0.00 H new ATOM 0 HA THR A 66 2.026 -8.711 -6.921 1.00 0.00 H new ATOM 0 HB THR A 66 0.856 -10.457 -5.656 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.026 -9.605 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.131 -10.302 -3.553 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.117 -9.835 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.454 -8.583 -3.881 1.00 0.00 H new ATOM 999 N GLU A 67 -0.344 -9.511 -7.881 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.561 -9.631 -8.662 1.00 0.00 C ATOM 1001 C GLU A 67 -2.755 -9.749 -7.720 1.00 0.00 C ATOM 1002 O GLU A 67 -3.877 -9.414 -8.079 1.00 0.00 O ATOM 1003 CB GLU A 67 -1.505 -10.842 -9.604 1.00 0.00 C ATOM 1004 CG GLU A 67 -1.663 -12.189 -8.909 1.00 0.00 C ATOM 1005 CD GLU A 67 -0.469 -12.562 -8.049 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -0.368 -12.054 -6.913 1.00 0.00 O ATOM 1007 OE2 GLU A 67 0.376 -13.359 -8.503 1.00 0.00 O ATOM 0 H GLU A 67 0.282 -10.314 -7.941 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.666 -8.739 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.289 -10.740 -10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.553 -10.830 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.558 -12.167 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.817 -12.963 -9.661 1.00 0.00 H new ATOM 1014 N LYS A 68 -2.491 -10.225 -6.508 1.00 0.00 N ATOM 1015 CA LYS A 68 -3.515 -10.330 -5.484 1.00 0.00 C ATOM 1016 C LYS A 68 -4.103 -8.954 -5.195 1.00 0.00 C ATOM 1017 O LYS A 68 -5.321 -8.781 -5.144 1.00 0.00 O ATOM 1018 CB LYS A 68 -2.923 -10.919 -4.204 1.00 0.00 C ATOM 1019 CG LYS A 68 -3.958 -11.548 -3.292 1.00 0.00 C ATOM 1020 CD LYS A 68 -4.554 -12.791 -3.930 1.00 0.00 C ATOM 1021 CE LYS A 68 -5.604 -13.438 -3.045 1.00 0.00 C ATOM 1022 NZ LYS A 68 -6.027 -14.761 -3.576 1.00 0.00 N ATOM 0 H LYS A 68 -1.569 -10.545 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.305 -10.989 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.180 -11.671 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.401 -10.132 -3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.499 -11.808 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.748 -10.828 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.001 -12.528 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.760 -13.509 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.207 -13.560 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.471 -12.782 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.745 -15.174 -2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.429 -14.641 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.204 -15.395 -3.625 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.221 -7.975 -5.023 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.660 -6.612 -4.795 1.00 0.00 C ATOM 1038 C GLY A 69 -4.160 -5.959 -6.067 1.00 0.00 C ATOM 1039 O GLY A 69 -5.094 -5.157 -6.039 1.00 0.00 O ATOM 0 H GLY A 69 -2.209 -8.102 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.454 -6.606 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.835 -6.028 -4.387 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.538 -6.314 -7.182 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.922 -5.786 -8.483 1.00 0.00 C ATOM 1045 C GLU A 70 -5.340 -6.236 -8.842 1.00 0.00 C ATOM 1046 O GLU A 70 -6.154 -5.438 -9.301 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.902 -6.245 -9.536 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.901 -5.433 -10.823 1.00 0.00 C ATOM 1049 CD GLU A 70 -3.873 -5.956 -11.859 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -3.571 -6.994 -12.488 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -4.926 -5.326 -12.065 1.00 0.00 O ATOM 0 H GLU A 70 -2.759 -6.971 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.923 -4.696 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.905 -6.204 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.100 -7.288 -9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.149 -4.397 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.896 -5.433 -11.244 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.638 -7.510 -8.596 1.00 0.00 N ATOM 1059 CA ASN A 71 -6.975 -8.048 -8.842 1.00 0.00 C ATOM 1060 C ASN A 71 -7.971 -7.479 -7.835 1.00 0.00 C ATOM 1061 O ASN A 71 -9.151 -7.319 -8.134 1.00 0.00 O ATOM 1062 CB ASN A 71 -6.993 -9.584 -8.758 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.451 -10.286 -10.000 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -5.340 -9.809 -10.538 1.00 0.00 O flip ATOM 1065 ND2 ASN A 71 -7.008 -11.292 -10.438 1.00 0.00 N flip ATOM 0 H ASN A 71 -4.972 -8.189 -8.227 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.261 -7.753 -9.852 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.407 -9.896 -7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.017 -9.915 -8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.863 -11.633 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.614 -11.785 -11.240 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.479 -7.173 -6.640 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.312 -6.624 -5.575 1.00 0.00 C ATOM 1074 C TYR A 72 -8.887 -5.267 -5.981 1.00 0.00 C ATOM 1075 O TYR A 72 -10.040 -4.951 -5.680 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.485 -6.503 -4.289 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.210 -5.871 -3.123 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.321 -6.478 -2.555 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -7.767 -4.673 -2.581 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -9.976 -5.904 -1.481 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.413 -4.093 -1.509 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.517 -4.711 -0.960 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.169 -4.134 0.109 1.00 0.00 O ATOM 0 H TYR A 72 -6.500 -7.297 -6.383 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.150 -7.298 -5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.151 -7.498 -3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.591 -5.917 -4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.680 -7.414 -2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.902 -4.186 -3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.842 -6.386 -1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.056 -3.159 -1.101 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.719 -3.299 0.355 1.00 0.00 H new ATOM 1093 N LEU A 73 -8.081 -4.494 -6.704 1.00 0.00 N ATOM 1094 CA LEU A 73 -8.464 -3.158 -7.157 1.00 0.00 C ATOM 1095 C LEU A 73 -9.664 -3.194 -8.106 1.00 0.00 C ATOM 1096 O LEU A 73 -10.340 -2.185 -8.304 1.00 0.00 O ATOM 1097 CB LEU A 73 -7.273 -2.473 -7.831 1.00 0.00 C ATOM 1098 CG LEU A 73 -6.132 -2.083 -6.886 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -4.894 -1.671 -7.666 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -6.570 -0.954 -5.966 1.00 0.00 C ATOM 0 H LEU A 73 -7.144 -4.775 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.763 -2.585 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.878 -3.138 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.628 -1.576 -8.338 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.881 -2.955 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.100 -1.399 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.563 -2.502 -8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.131 -0.816 -8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.749 -0.688 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.849 -0.086 -6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.426 -1.278 -5.374 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.918 -4.357 -8.693 1.00 0.00 N ATOM 1113 CA LYS A 74 -11.031 -4.532 -9.621 1.00 0.00 C ATOM 1114 C LYS A 74 -12.379 -4.247 -8.947 1.00 0.00 C ATOM 1115 O LYS A 74 -13.262 -3.628 -9.544 1.00 0.00 O ATOM 1116 CB LYS A 74 -11.005 -5.955 -10.194 1.00 0.00 C ATOM 1117 CG LYS A 74 -12.301 -6.386 -10.864 1.00 0.00 C ATOM 1118 CD LYS A 74 -12.178 -7.774 -11.474 1.00 0.00 C ATOM 1119 CE LYS A 74 -13.538 -8.351 -11.843 1.00 0.00 C ATOM 1120 NZ LYS A 74 -14.340 -7.427 -12.688 1.00 0.00 N ATOM 0 H LYS A 74 -9.364 -5.200 -8.542 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.916 -3.813 -10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.194 -6.027 -10.919 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.776 -6.654 -9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.110 -6.379 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.567 -5.668 -11.640 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.550 -7.726 -12.364 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.680 -8.439 -10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.397 -9.293 -12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.092 -8.578 -10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.168 -7.931 -13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.657 -6.619 -12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.756 -7.083 -13.477 1.00 0.00 H new ATOM 1134 N GLU A 75 -12.530 -4.689 -7.704 1.00 0.00 N ATOM 1135 CA GLU A 75 -13.798 -4.546 -6.998 1.00 0.00 C ATOM 1136 C GLU A 75 -13.921 -3.186 -6.315 1.00 0.00 C ATOM 1137 O GLU A 75 -14.935 -2.503 -6.453 1.00 0.00 O ATOM 1138 CB GLU A 75 -13.970 -5.663 -5.969 1.00 0.00 C ATOM 1139 CG GLU A 75 -14.095 -7.046 -6.594 1.00 0.00 C ATOM 1140 CD GLU A 75 -15.221 -7.126 -7.605 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -16.393 -6.956 -7.211 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -14.938 -7.348 -8.800 1.00 0.00 O ATOM 0 H GLU A 75 -11.794 -5.147 -7.166 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.590 -4.618 -7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.118 -5.655 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.858 -5.461 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -13.155 -7.308 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.263 -7.782 -5.808 1.00 0.00 H new ATOM 1149 N ASN A 76 -12.885 -2.790 -5.594 1.00 0.00 N ATOM 1150 CA ASN A 76 -12.938 -1.577 -4.781 1.00 0.00 C ATOM 1151 C ASN A 76 -12.506 -0.352 -5.575 1.00 0.00 C ATOM 1152 O ASN A 76 -12.399 0.744 -5.027 1.00 0.00 O ATOM 1153 CB ASN A 76 -12.075 -1.726 -3.524 1.00 0.00 C ATOM 1154 CG ASN A 76 -10.591 -1.821 -3.824 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -10.184 -2.270 -4.888 1.00 0.00 O ATOM 1156 ND2 ASN A 76 -9.772 -1.408 -2.875 1.00 0.00 N ATOM 0 H ASN A 76 -11.996 -3.288 -5.552 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.975 -1.433 -4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.252 -0.875 -2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.387 -2.618 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.763 -1.457 -3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.148 -1.040 -2.001 1.00 0.00 H new ATOM 1163 N GLY A 77 -12.263 -0.557 -6.866 1.00 0.00 N ATOM 1164 CA GLY A 77 -11.805 0.508 -7.737 1.00 0.00 C ATOM 1165 C GLY A 77 -12.739 1.706 -7.796 1.00 0.00 C ATOM 1166 O GLY A 77 -12.320 2.795 -8.186 1.00 0.00 O ATOM 0 H GLY A 77 -12.378 -1.458 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.824 0.842 -7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.678 0.110 -8.744 1.00 0.00 H new ATOM 1170 N THR A 78 -14.001 1.518 -7.433 1.00 0.00 N ATOM 1171 CA THR A 78 -14.943 2.624 -7.419 1.00 0.00 C ATOM 1172 C THR A 78 -14.618 3.592 -6.274 1.00 0.00 C ATOM 1173 O THR A 78 -14.254 4.744 -6.528 1.00 0.00 O ATOM 1174 CB THR A 78 -16.418 2.134 -7.353 1.00 0.00 C ATOM 1175 OG1 THR A 78 -17.298 3.224 -7.037 1.00 0.00 O ATOM 1176 CG2 THR A 78 -16.604 1.011 -6.337 1.00 0.00 C ATOM 0 H THR A 78 -14.391 0.620 -7.148 1.00 0.00 H new ATOM 0 HA THR A 78 -14.837 3.162 -8.361 1.00 0.00 H new ATOM 0 HB THR A 78 -16.667 1.739 -8.338 1.00 0.00 H new ATOM 0 HG1 THR A 78 -18.222 2.899 -7.001 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.649 0.701 -6.325 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.977 0.163 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.320 1.366 -5.346 1.00 0.00 H new ATOM 1184 N TRP A 79 -14.699 3.103 -5.029 1.00 0.00 N ATOM 1185 CA TRP A 79 -14.431 3.912 -3.835 1.00 0.00 C ATOM 1186 C TRP A 79 -15.109 5.292 -3.940 1.00 0.00 C ATOM 1187 O TRP A 79 -16.190 5.410 -4.526 1.00 0.00 O ATOM 1188 CB TRP A 79 -12.908 4.040 -3.639 1.00 0.00 C ATOM 1189 CG TRP A 79 -12.508 4.552 -2.286 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -12.864 4.033 -1.077 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -11.682 5.693 -2.007 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -12.326 4.787 -0.064 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -11.590 5.807 -0.608 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -11.015 6.627 -2.804 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -10.857 6.821 0.012 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -10.289 7.630 -2.190 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -10.214 7.720 -0.794 1.00 0.00 C ATOM 0 H TRP A 79 -14.952 2.137 -4.823 1.00 0.00 H new ATOM 0 HA TRP A 79 -14.855 3.417 -2.961 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.448 3.064 -3.798 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.509 4.708 -4.402 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -13.479 3.157 -0.937 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.454 4.616 0.933 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -11.066 6.566 -3.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -10.800 6.893 1.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.770 8.357 -2.797 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.637 8.515 -0.345 1.00 0.00 H new ATOM 1208 N SER A 80 -14.489 6.307 -3.337 1.00 0.00 N ATOM 1209 CA SER A 80 -14.940 7.688 -3.438 1.00 0.00 C ATOM 1210 C SER A 80 -16.419 7.821 -3.092 1.00 0.00 C ATOM 1211 O SER A 80 -17.200 8.353 -3.882 1.00 0.00 O ATOM 1212 CB SER A 80 -14.674 8.219 -4.852 1.00 0.00 C ATOM 1213 OG SER A 80 -13.304 8.084 -5.198 1.00 0.00 O ATOM 0 H SER A 80 -13.655 6.189 -2.762 1.00 0.00 H new ATOM 0 HA SER A 80 -14.379 8.282 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.289 7.676 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.966 9.268 -4.911 1.00 0.00 H new ATOM 0 HG SER A 80 -13.160 8.428 -6.104 1.00 0.00 H new ATOM 1219 N LYS A 81 -16.815 7.336 -1.916 1.00 0.00 N ATOM 1220 CA LYS A 81 -18.213 7.410 -1.529 1.00 0.00 C ATOM 1221 C LYS A 81 -18.585 8.829 -1.115 1.00 0.00 C ATOM 1222 O LYS A 81 -18.598 9.180 0.065 1.00 0.00 O ATOM 1223 CB LYS A 81 -18.565 6.414 -0.425 1.00 0.00 C ATOM 1224 CG LYS A 81 -20.057 6.389 -0.136 1.00 0.00 C ATOM 1225 CD LYS A 81 -20.444 5.300 0.845 1.00 0.00 C ATOM 1226 CE LYS A 81 -21.947 5.294 1.068 1.00 0.00 C ATOM 1227 NZ LYS A 81 -22.383 4.212 1.986 1.00 0.00 N ATOM 0 H LYS A 81 -16.199 6.898 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 81 -18.801 7.135 -2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.236 5.417 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.024 6.675 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.362 7.357 0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.601 6.242 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -20.123 4.330 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -19.930 5.457 1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.254 6.257 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.452 5.178 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -23.415 4.252 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -22.116 3.290 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -21.924 4.335 2.911 1.00 0.00 H new ATOM 1241 N ALA A 82 -18.812 9.643 -2.127 1.00 0.00 N ATOM 1242 CA ALA A 82 -19.318 10.988 -1.979 1.00 0.00 C ATOM 1243 C ALA A 82 -20.029 11.341 -3.268 1.00 0.00 C ATOM 1244 O ALA A 82 -19.443 11.238 -4.346 1.00 0.00 O ATOM 1245 CB ALA A 82 -18.187 11.962 -1.693 1.00 0.00 C ATOM 0 H ALA A 82 -18.645 9.378 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 82 -20.006 11.051 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -18.592 12.968 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -17.683 11.673 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.474 11.944 -2.517 1.00 0.00 H new TER 1251 ALA A 82