USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 887 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 73 TYR OH : rot -122:sc= 1.06 USER MOD Set 1.2: A 74 GLN :FLIP amide:sc= -1.63! F(o=-3,f=-0.57!) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= -1.22 F(o=-5.4!,f=-0.23) USER MOD Set 2.3: A 56 TYR OH : rot -61:sc= 0.986 USER MOD Single : A 2 THR OG1 : rot -22:sc= 0.303 USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 10 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 12 THR OG1 : rot -106:sc= 0.566 USER MOD Single : A 13 ASN : amide:sc= -1.81! C(o=-1.8!,f=-3.1!) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.368 F(o=-1.4,f=-0.37) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= -0.303 (180deg=-1.33!) USER MOD Single : A 25 CYS SG : rot 18:sc= 1.07 USER MOD Single : A 39 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.37) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 143:sc= 0.455 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0209 F(o=-1,f=-0.021) USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 0.269 (180deg=0.269) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 53 THR OG1 : rot 160:sc= -0.0076 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.327 USER MOD Single : A 58 SER OG : rot 154:sc= -2.78! USER MOD Single : A 60 THR OG1 : rot 94:sc= -0.837 USER MOD Single : A 62 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.64) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.053 (180deg=-0.542) USER MOD Single : A 64 SER OG : rot 83:sc=-0.000478 USER MOD Single : A 65 ASN : amide:sc= -0.93 X(o=-0.93,f=-0.61) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.617 USER MOD Single : A 75 LYS NZ :NH3+ 150:sc= -0.321 (180deg=-1.38!) USER MOD Single : A 76 GLN : amide:sc= -5.5! C(o=-5.5!,f=-7.1!) USER MOD Single : A 86 ASN : amide:sc= -9.3! C(o=-9.3!,f=-16!) USER MOD Single : A 87 HIS : no HD1:sc= -8.06! C(o=-8.1!,f=-9.8!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -4.38! C(o=-4.4!,f=-9.4!) USER MOD Single : A 96 ASN : amide:sc= -0.0424 K(o=-0.042,f=-2!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0993 K(o=-0.099,f=-3.5!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -11.202 -7.791 20.232 1.00 0.00 N ATOM 21 CA THR A 2 -12.606 -7.942 19.742 1.00 0.00 C ATOM 22 C THR A 2 -12.832 -7.018 18.540 1.00 0.00 C ATOM 23 O THR A 2 -13.948 -6.753 18.134 1.00 0.00 O ATOM 24 CB THR A 2 -13.587 -7.596 20.865 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.190 -6.384 21.488 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.599 -8.726 21.898 1.00 0.00 C ATOM 0 HA THR A 2 -12.774 -8.974 19.434 1.00 0.00 H new ATOM 0 HB THR A 2 -14.587 -7.475 20.449 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.238 -6.225 21.318 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.297 -8.480 22.698 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.909 -9.654 21.418 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.599 -8.849 22.314 1.00 0.00 H new ATOM 34 N LEU A 3 -11.768 -6.538 17.965 1.00 0.00 N ATOM 35 CA LEU A 3 -11.885 -5.637 16.781 1.00 0.00 C ATOM 36 C LEU A 3 -12.531 -6.408 15.624 1.00 0.00 C ATOM 37 O LEU A 3 -13.356 -5.893 14.893 1.00 0.00 O ATOM 38 CB LEU A 3 -10.487 -5.168 16.354 1.00 0.00 C ATOM 39 CG LEU A 3 -10.592 -4.197 15.165 1.00 0.00 C ATOM 40 CD1 LEU A 3 -11.371 -2.936 15.578 1.00 0.00 C ATOM 41 CD2 LEU A 3 -9.183 -3.806 14.702 1.00 0.00 C ATOM 0 H LEU A 3 -10.812 -6.731 18.265 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.497 -4.773 17.039 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.989 -4.678 17.190 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.876 -6.027 16.078 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.123 -4.687 14.349 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.439 -2.256 14.729 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.374 -3.217 15.899 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.853 -2.441 16.399 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.255 -3.118 13.860 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.652 -3.322 15.522 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.640 -4.700 14.395 1.00 0.00 H new ATOM 53 N GLU A 4 -12.148 -7.642 15.456 1.00 0.00 N ATOM 54 CA GLU A 4 -12.717 -8.468 14.350 1.00 0.00 C ATOM 55 C GLU A 4 -14.240 -8.539 14.506 1.00 0.00 C ATOM 56 O GLU A 4 -14.983 -8.482 13.546 1.00 0.00 O ATOM 57 CB GLU A 4 -12.125 -9.881 14.435 1.00 0.00 C ATOM 58 CG GLU A 4 -10.630 -9.828 14.106 1.00 0.00 C ATOM 59 CD GLU A 4 -10.005 -11.220 14.266 1.00 0.00 C ATOM 60 OE1 GLU A 4 -10.730 -12.141 14.599 1.00 0.00 O ATOM 61 OE2 GLU A 4 -8.809 -11.337 14.050 1.00 0.00 O ATOM 0 H GLU A 4 -11.461 -8.119 16.040 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.473 -8.023 13.385 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.274 -10.290 15.434 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.638 -10.545 13.739 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.487 -9.472 13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.130 -9.118 14.765 1.00 0.00 H new ATOM 68 N LEU A 5 -14.703 -8.660 15.715 1.00 0.00 N ATOM 69 CA LEU A 5 -16.174 -8.731 15.958 1.00 0.00 C ATOM 70 C LEU A 5 -16.826 -7.408 15.542 1.00 0.00 C ATOM 71 O LEU A 5 -17.889 -7.377 14.954 1.00 0.00 O ATOM 72 CB LEU A 5 -16.423 -8.979 17.450 1.00 0.00 C ATOM 73 CG LEU A 5 -16.236 -10.471 17.771 1.00 0.00 C ATOM 74 CD1 LEU A 5 -17.370 -11.314 17.147 1.00 0.00 C ATOM 75 CD2 LEU A 5 -14.878 -10.938 17.228 1.00 0.00 C ATOM 0 H LEU A 5 -14.125 -8.713 16.554 1.00 0.00 H new ATOM 0 HA LEU A 5 -16.605 -9.544 15.373 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.735 -8.381 18.047 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.432 -8.664 17.716 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.268 -10.606 18.852 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.216 -12.366 17.388 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.329 -10.987 17.548 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.366 -11.185 16.065 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.740 -11.996 17.453 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.847 -10.790 16.149 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.081 -10.361 17.696 1.00 0.00 H new ATOM 87 N GLN A 6 -16.194 -6.313 15.856 1.00 0.00 N ATOM 88 CA GLN A 6 -16.768 -4.987 15.490 1.00 0.00 C ATOM 89 C GLN A 6 -16.751 -4.816 13.969 1.00 0.00 C ATOM 90 O GLN A 6 -17.728 -4.425 13.361 1.00 0.00 O ATOM 91 CB GLN A 6 -15.927 -3.880 16.133 1.00 0.00 C ATOM 92 CG GLN A 6 -16.111 -3.910 17.651 1.00 0.00 C ATOM 93 CD GLN A 6 -15.220 -2.850 18.307 1.00 0.00 C ATOM 94 OE1 GLN A 6 -14.263 -2.294 17.614 1.00 0.00 O flip ATOM 95 NE2 GLN A 6 -15.396 -2.526 19.464 1.00 0.00 N flip ATOM 0 H GLN A 6 -15.303 -6.278 16.351 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.796 -4.927 15.847 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.875 -4.016 15.882 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.225 -2.908 15.740 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -17.155 -3.726 17.903 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.860 -4.898 18.037 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.143 -2.959 20.007 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.797 -1.821 19.893 1.00 0.00 H new ATOM 104 N LEU A 7 -15.641 -5.106 13.351 1.00 0.00 N ATOM 105 CA LEU A 7 -15.553 -4.961 11.871 1.00 0.00 C ATOM 106 C LEU A 7 -16.488 -5.973 11.199 1.00 0.00 C ATOM 107 O LEU A 7 -17.162 -5.676 10.233 1.00 0.00 O ATOM 108 CB LEU A 7 -14.114 -5.219 11.411 1.00 0.00 C ATOM 109 CG LEU A 7 -13.992 -4.957 9.899 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.202 -3.461 9.596 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.604 -5.395 9.419 1.00 0.00 C ATOM 0 H LEU A 7 -14.790 -5.437 13.806 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.848 -3.949 11.592 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.427 -4.573 11.957 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.830 -6.247 11.635 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.758 -5.529 9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.113 -3.291 8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.194 -3.158 9.930 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.448 -2.874 10.120 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.514 -5.211 8.348 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.840 -4.828 9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.469 -6.458 9.617 1.00 0.00 H new ATOM 123 N LYS A 8 -16.525 -7.173 11.707 1.00 0.00 N ATOM 124 CA LYS A 8 -17.406 -8.217 11.105 1.00 0.00 C ATOM 125 C LYS A 8 -18.856 -7.741 11.170 1.00 0.00 C ATOM 126 O LYS A 8 -19.601 -7.821 10.212 1.00 0.00 O ATOM 127 CB LYS A 8 -17.273 -9.516 11.909 1.00 0.00 C ATOM 128 CG LYS A 8 -18.084 -10.626 11.233 1.00 0.00 C ATOM 129 CD LYS A 8 -17.908 -11.937 12.006 1.00 0.00 C ATOM 130 CE LYS A 8 -18.700 -13.050 11.315 1.00 0.00 C ATOM 131 NZ LYS A 8 -18.527 -14.326 12.066 1.00 0.00 N ATOM 0 H LYS A 8 -15.982 -7.478 12.515 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.115 -8.392 10.069 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.225 -9.808 11.977 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.628 -9.362 12.928 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.138 -10.351 11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.755 -10.754 10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.852 -12.204 12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.253 -11.815 13.033 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -19.756 -12.784 11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.356 -13.171 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.065 -15.081 11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.519 -14.582 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.876 -14.206 13.039 1.00 0.00 H new ATOM 145 N HIS A 9 -19.253 -7.245 12.303 1.00 0.00 N ATOM 146 CA HIS A 9 -20.649 -6.751 12.462 1.00 0.00 C ATOM 147 C HIS A 9 -20.840 -5.451 11.666 1.00 0.00 C ATOM 148 O HIS A 9 -21.866 -5.223 11.059 1.00 0.00 O ATOM 149 CB HIS A 9 -20.921 -6.487 13.940 1.00 0.00 C ATOM 150 CG HIS A 9 -22.380 -6.179 14.131 1.00 0.00 C ATOM 151 ND1 HIS A 9 -22.863 -4.881 14.180 1.00 0.00 N ATOM 152 CD2 HIS A 9 -23.474 -6.992 14.288 1.00 0.00 C ATOM 153 CE1 HIS A 9 -24.194 -4.951 14.360 1.00 0.00 C ATOM 154 NE2 HIS A 9 -24.619 -6.216 14.432 1.00 0.00 N ATOM 0 H HIS A 9 -18.668 -7.159 13.134 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.343 -7.503 12.086 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.641 -7.357 14.534 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.313 -5.653 14.290 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -23.450 -8.072 14.298 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.841 -4.090 14.437 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -25.576 -6.542 14.564 1.00 0.00 H new ATOM 162 N TYR A 10 -19.859 -4.588 11.680 1.00 0.00 N ATOM 163 CA TYR A 10 -19.987 -3.296 10.935 1.00 0.00 C ATOM 164 C TYR A 10 -20.147 -3.564 9.434 1.00 0.00 C ATOM 165 O TYR A 10 -21.024 -3.032 8.783 1.00 0.00 O ATOM 166 CB TYR A 10 -18.727 -2.452 11.154 1.00 0.00 C ATOM 167 CG TYR A 10 -18.808 -1.192 10.321 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.529 -0.089 10.790 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.165 -1.130 9.078 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.608 1.076 10.018 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.244 0.036 8.306 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.966 1.138 8.775 1.00 0.00 C ATOM 173 OH TYR A 10 -19.043 2.288 8.014 1.00 0.00 O ATOM 0 H TYR A 10 -18.976 -4.719 12.173 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.864 -2.764 11.304 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.627 -2.197 12.209 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.841 -3.025 10.880 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -20.025 -0.136 11.748 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.608 -1.981 8.715 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -20.164 1.927 10.381 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.747 0.084 7.348 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.541 2.163 7.181 1.00 0.00 H new ATOM 183 N ILE A 11 -19.295 -4.382 8.881 1.00 0.00 N ATOM 184 CA ILE A 11 -19.385 -4.680 7.423 1.00 0.00 C ATOM 185 C ILE A 11 -20.706 -5.404 7.113 1.00 0.00 C ATOM 186 O ILE A 11 -21.382 -5.104 6.149 1.00 0.00 O ATOM 187 CB ILE A 11 -18.204 -5.576 7.016 1.00 0.00 C ATOM 188 CG1 ILE A 11 -16.899 -4.774 7.121 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.401 -6.071 5.577 1.00 0.00 C ATOM 190 CD1 ILE A 11 -15.693 -5.691 6.878 1.00 0.00 C ATOM 0 H ILE A 11 -18.540 -4.857 9.375 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.352 -3.745 6.863 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.153 -6.438 7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.902 -3.964 6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.824 -4.315 8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.562 -6.706 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.327 -6.643 5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.455 -5.216 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.773 -5.111 6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -15.684 -6.486 7.624 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.763 -6.129 5.882 1.00 0.00 H new ATOM 202 N THR A 12 -21.067 -6.366 7.915 1.00 0.00 N ATOM 203 CA THR A 12 -22.334 -7.119 7.661 1.00 0.00 C ATOM 204 C THR A 12 -23.550 -6.213 7.886 1.00 0.00 C ATOM 205 O THR A 12 -24.464 -6.168 7.089 1.00 0.00 O ATOM 206 CB THR A 12 -22.414 -8.314 8.610 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.135 -7.882 9.934 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.395 -9.371 8.189 1.00 0.00 C ATOM 0 H THR A 12 -20.542 -6.666 8.736 1.00 0.00 H new ATOM 0 HA THR A 12 -22.336 -7.464 6.627 1.00 0.00 H new ATOM 0 HB THR A 12 -23.415 -8.745 8.571 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.242 -8.188 10.196 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.453 -10.223 8.867 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.611 -9.700 7.173 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.392 -8.945 8.227 1.00 0.00 H new ATOM 216 N ASN A 13 -23.567 -5.493 8.973 1.00 0.00 N ATOM 217 CA ASN A 13 -24.720 -4.586 9.258 1.00 0.00 C ATOM 218 C ASN A 13 -24.733 -3.435 8.248 1.00 0.00 C ATOM 219 O ASN A 13 -25.770 -3.001 7.787 1.00 0.00 O ATOM 220 CB ASN A 13 -24.580 -4.021 10.673 1.00 0.00 C ATOM 221 CG ASN A 13 -25.710 -3.025 10.953 1.00 0.00 C ATOM 222 OD1 ASN A 13 -26.534 -2.765 10.098 1.00 0.00 O ATOM 223 ND2 ASN A 13 -25.780 -2.449 12.123 1.00 0.00 N ATOM 0 H ASN A 13 -22.831 -5.492 9.680 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.651 -5.146 9.177 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.609 -4.831 11.402 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.614 -3.528 10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -26.526 -1.781 12.319 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -25.089 -2.667 12.841 1.00 0.00 H new ATOM 230 N LEU A 14 -23.579 -2.931 7.916 1.00 0.00 N ATOM 231 CA LEU A 14 -23.503 -1.796 6.949 1.00 0.00 C ATOM 232 C LEU A 14 -24.063 -2.219 5.588 1.00 0.00 C ATOM 233 O LEU A 14 -24.810 -1.496 4.959 1.00 0.00 O ATOM 234 CB LEU A 14 -22.035 -1.378 6.779 1.00 0.00 C ATOM 235 CG LEU A 14 -21.912 -0.278 5.707 1.00 0.00 C ATOM 236 CD1 LEU A 14 -22.802 0.916 6.078 1.00 0.00 C ATOM 237 CD2 LEU A 14 -20.450 0.180 5.618 1.00 0.00 C ATOM 0 H LEU A 14 -22.680 -3.256 8.273 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.091 -0.962 7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.641 -1.015 7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.435 -2.242 6.494 1.00 0.00 H new ATOM 0 HG LEU A 14 -22.233 -0.675 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.710 1.689 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -23.840 0.590 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -22.489 1.318 7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.358 0.958 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.133 0.574 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.819 -0.667 5.347 1.00 0.00 H new ATOM 249 N PHE A 15 -23.698 -3.381 5.122 1.00 0.00 N ATOM 250 CA PHE A 15 -24.196 -3.857 3.794 1.00 0.00 C ATOM 251 C PHE A 15 -25.336 -4.867 4.016 1.00 0.00 C ATOM 252 O PHE A 15 -25.935 -5.369 3.083 1.00 0.00 O ATOM 253 CB PHE A 15 -23.037 -4.521 3.043 1.00 0.00 C ATOM 254 CG PHE A 15 -22.085 -3.464 2.539 1.00 0.00 C ATOM 255 CD1 PHE A 15 -22.299 -2.872 1.291 1.00 0.00 C ATOM 256 CD2 PHE A 15 -20.985 -3.079 3.318 1.00 0.00 C ATOM 257 CE1 PHE A 15 -21.418 -1.892 0.820 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.103 -2.099 2.847 1.00 0.00 C ATOM 259 CZ PHE A 15 -20.320 -1.505 1.597 1.00 0.00 C ATOM 0 H PHE A 15 -23.073 -4.027 5.604 1.00 0.00 H new ATOM 0 HA PHE A 15 -24.574 -3.020 3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -22.512 -5.212 3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -23.420 -5.107 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -23.145 -3.171 0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -20.818 -3.538 4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -21.585 -1.434 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.256 -1.801 3.447 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.640 -0.749 1.233 1.00 0.00 H new ATOM 269 N ASN A 16 -25.635 -5.156 5.258 1.00 0.00 N ATOM 270 CA ASN A 16 -26.732 -6.126 5.586 1.00 0.00 C ATOM 271 C ASN A 16 -26.437 -7.478 4.937 1.00 0.00 C ATOM 272 O ASN A 16 -27.311 -8.137 4.404 1.00 0.00 O ATOM 273 CB ASN A 16 -28.081 -5.585 5.099 1.00 0.00 C ATOM 274 CG ASN A 16 -28.309 -4.186 5.679 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.043 -3.960 6.940 1.00 0.00 O flip ATOM 276 ND2 ASN A 16 -28.735 -3.287 4.981 1.00 0.00 N flip ATOM 0 H ASN A 16 -25.162 -4.758 6.069 1.00 0.00 H new ATOM 0 HA ASN A 16 -26.781 -6.255 6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.098 -5.546 4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -28.885 -6.253 5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -28.943 -3.460 3.998 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -28.884 -2.360 5.379 1.00 0.00 H new ATOM 283 N LEU A 17 -25.197 -7.891 4.970 1.00 0.00 N ATOM 284 CA LEU A 17 -24.822 -9.194 4.345 1.00 0.00 C ATOM 285 C LEU A 17 -24.863 -10.321 5.392 1.00 0.00 C ATOM 286 O LEU A 17 -24.603 -10.094 6.557 1.00 0.00 O ATOM 287 CB LEU A 17 -23.404 -9.104 3.777 1.00 0.00 C ATOM 288 CG LEU A 17 -23.291 -7.884 2.860 1.00 0.00 C ATOM 289 CD1 LEU A 17 -21.817 -7.536 2.648 1.00 0.00 C ATOM 290 CD2 LEU A 17 -23.945 -8.179 1.503 1.00 0.00 C ATOM 0 H LEU A 17 -24.427 -7.382 5.403 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.533 -9.412 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -22.681 -9.029 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.166 -10.011 3.222 1.00 0.00 H new ATOM 0 HG LEU A 17 -23.803 -7.043 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -21.739 -6.667 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.355 -7.310 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.306 -8.382 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -23.858 -7.304 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -23.444 -9.026 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -24.998 -8.418 1.651 1.00 0.00 H new ATOM 302 N PRO A 18 -25.171 -11.533 4.982 1.00 0.00 N ATOM 303 CA PRO A 18 -25.225 -12.703 5.910 1.00 0.00 C ATOM 304 C PRO A 18 -23.968 -12.825 6.790 1.00 0.00 C ATOM 305 O PRO A 18 -22.853 -12.906 6.307 1.00 0.00 O ATOM 306 CB PRO A 18 -25.332 -13.907 4.956 1.00 0.00 C ATOM 307 CG PRO A 18 -25.956 -13.370 3.711 1.00 0.00 C ATOM 308 CD PRO A 18 -25.509 -11.917 3.601 1.00 0.00 C ATOM 0 HA PRO A 18 -26.052 -12.620 6.616 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -24.351 -14.335 4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -25.941 -14.700 5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.638 -13.942 2.839 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.043 -13.440 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -24.650 -11.815 2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -26.301 -11.287 3.196 1.00 0.00 H new ATOM 316 N ARG A 19 -24.156 -12.847 8.083 1.00 0.00 N ATOM 317 CA ARG A 19 -23.003 -12.978 9.031 1.00 0.00 C ATOM 318 C ARG A 19 -22.835 -14.445 9.449 1.00 0.00 C ATOM 319 O ARG A 19 -21.766 -14.881 9.831 1.00 0.00 O ATOM 320 CB ARG A 19 -23.277 -12.121 10.272 1.00 0.00 C ATOM 321 CG ARG A 19 -24.528 -12.633 11.005 1.00 0.00 C ATOM 322 CD ARG A 19 -24.800 -11.749 12.224 1.00 0.00 C ATOM 323 NE ARG A 19 -26.008 -12.246 12.948 1.00 0.00 N ATOM 324 CZ ARG A 19 -25.905 -13.168 13.873 1.00 0.00 C ATOM 325 NH1 ARG A 19 -24.741 -13.683 14.168 1.00 0.00 N ATOM 326 NH2 ARG A 19 -26.972 -13.577 14.501 1.00 0.00 N ATOM 0 H ARG A 19 -25.070 -12.779 8.531 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.089 -12.641 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -22.417 -12.151 10.941 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -23.418 -11.080 9.980 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -25.387 -12.620 10.334 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -24.382 -13.667 11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -23.937 -11.756 12.890 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -24.952 -10.716 11.910 1.00 0.00 H new ATOM 0 HE ARG A 19 -26.925 -11.863 12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -23.905 -13.368 13.677 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -24.669 -14.400 14.889 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -27.883 -13.179 14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -26.896 -14.295 15.222 1.00 0.00 H new ATOM 340 N ASP A 20 -23.895 -15.202 9.393 1.00 0.00 N ATOM 341 CA ASP A 20 -23.820 -16.638 9.802 1.00 0.00 C ATOM 342 C ASP A 20 -23.255 -17.471 8.644 1.00 0.00 C ATOM 343 O ASP A 20 -23.103 -18.673 8.740 1.00 0.00 O ATOM 344 CB ASP A 20 -25.230 -17.131 10.155 1.00 0.00 C ATOM 345 CG ASP A 20 -25.707 -16.461 11.447 1.00 0.00 C ATOM 346 OD1 ASP A 20 -24.879 -15.890 12.136 1.00 0.00 O ATOM 347 OD2 ASP A 20 -26.895 -16.531 11.726 1.00 0.00 O ATOM 0 H ASP A 20 -24.814 -14.890 9.081 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.168 -16.743 10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.919 -16.904 9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.226 -18.214 10.276 1.00 0.00 H new ATOM 352 N GLU A 21 -22.949 -16.833 7.549 1.00 0.00 N ATOM 353 CA GLU A 21 -22.399 -17.571 6.372 1.00 0.00 C ATOM 354 C GLU A 21 -20.953 -18.000 6.637 1.00 0.00 C ATOM 355 O GLU A 21 -20.245 -17.403 7.421 1.00 0.00 O ATOM 356 CB GLU A 21 -22.457 -16.664 5.136 1.00 0.00 C ATOM 357 CG GLU A 21 -21.845 -17.364 3.914 1.00 0.00 C ATOM 358 CD GLU A 21 -22.609 -18.658 3.628 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.771 -18.731 3.996 1.00 0.00 O ATOM 360 OE2 GLU A 21 -22.020 -19.557 3.051 1.00 0.00 O ATOM 0 H GLU A 21 -23.056 -15.827 7.416 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.997 -18.466 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.492 -16.395 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.921 -15.736 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.887 -16.706 3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.793 -17.584 4.097 1.00 0.00 H new ATOM 367 N LYS A 22 -20.517 -19.038 5.972 1.00 0.00 N ATOM 368 CA LYS A 22 -19.123 -19.527 6.167 1.00 0.00 C ATOM 369 C LYS A 22 -18.138 -18.538 5.542 1.00 0.00 C ATOM 370 O LYS A 22 -18.290 -18.121 4.408 1.00 0.00 O ATOM 371 CB LYS A 22 -18.969 -20.892 5.496 1.00 0.00 C ATOM 372 CG LYS A 22 -19.784 -21.938 6.266 1.00 0.00 C ATOM 373 CD LYS A 22 -19.720 -23.297 5.548 1.00 0.00 C ATOM 374 CE LYS A 22 -18.422 -24.027 5.911 1.00 0.00 C ATOM 375 NZ LYS A 22 -18.343 -24.198 7.389 1.00 0.00 N ATOM 0 H LYS A 22 -21.070 -19.569 5.300 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.915 -19.616 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -19.309 -20.841 4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.918 -21.180 5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.397 -22.036 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -20.821 -21.612 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -20.579 -23.906 5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.773 -23.149 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.390 -25.000 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.562 -23.461 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.795 -25.054 7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.877 -23.369 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.302 -24.291 7.780 1.00 0.00 H new ATOM 389 N TRP A 23 -17.133 -18.158 6.288 1.00 0.00 N ATOM 390 CA TRP A 23 -16.120 -17.181 5.778 1.00 0.00 C ATOM 391 C TRP A 23 -14.789 -17.887 5.511 1.00 0.00 C ATOM 392 O TRP A 23 -14.345 -18.722 6.276 1.00 0.00 O ATOM 393 CB TRP A 23 -15.926 -16.062 6.830 1.00 0.00 C ATOM 394 CG TRP A 23 -16.190 -14.731 6.211 1.00 0.00 C ATOM 395 CD1 TRP A 23 -15.542 -14.247 5.134 1.00 0.00 C ATOM 396 CD2 TRP A 23 -17.165 -13.726 6.593 1.00 0.00 C ATOM 397 NE1 TRP A 23 -16.052 -13.000 4.829 1.00 0.00 N ATOM 398 CE2 TRP A 23 -17.057 -12.634 5.701 1.00 0.00 C ATOM 399 CE3 TRP A 23 -18.125 -13.655 7.617 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -17.871 -11.509 5.824 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -18.945 -12.523 7.741 1.00 0.00 C ATOM 402 CH2 TRP A 23 -18.817 -11.455 6.844 1.00 0.00 C ATOM 0 H TRP A 23 -16.968 -18.486 7.240 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.472 -16.748 4.842 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.600 -16.221 7.672 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.910 -16.094 7.225 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -14.753 -14.751 4.597 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -15.726 -12.421 4.055 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -18.232 -14.475 8.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -17.769 -10.685 5.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -19.679 -12.475 8.532 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -19.453 -10.588 6.944 1.00 0.00 H new ATOM 413 N GLU A 24 -14.152 -17.532 4.430 1.00 0.00 N ATOM 414 CA GLU A 24 -12.839 -18.143 4.079 1.00 0.00 C ATOM 415 C GLU A 24 -11.748 -17.078 4.211 1.00 0.00 C ATOM 416 O GLU A 24 -11.780 -16.047 3.564 1.00 0.00 O ATOM 417 CB GLU A 24 -12.893 -18.651 2.641 1.00 0.00 C ATOM 418 CG GLU A 24 -11.585 -19.368 2.293 1.00 0.00 C ATOM 419 CD GLU A 24 -11.460 -20.635 3.140 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.480 -21.107 3.617 1.00 0.00 O ATOM 421 OE2 GLU A 24 -10.348 -21.109 3.303 1.00 0.00 O ATOM 0 H GLU A 24 -14.490 -16.835 3.766 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.620 -18.976 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.735 -19.332 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.054 -17.818 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.568 -19.622 1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.736 -18.709 2.477 1.00 0.00 H new ATOM 428 N CYS A 25 -10.787 -17.325 5.053 1.00 0.00 N ATOM 429 CA CYS A 25 -9.682 -16.341 5.257 1.00 0.00 C ATOM 430 C CYS A 25 -8.507 -16.672 4.335 1.00 0.00 C ATOM 431 O CYS A 25 -8.139 -17.819 4.162 1.00 0.00 O ATOM 432 CB CYS A 25 -9.219 -16.395 6.716 1.00 0.00 C ATOM 433 SG CYS A 25 -8.245 -17.898 6.998 1.00 0.00 S ATOM 0 H CYS A 25 -10.716 -18.173 5.615 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.045 -15.340 5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.621 -15.514 6.950 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -10.082 -16.380 7.382 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.844 -18.376 5.857 1.00 0.00 H new ATOM 439 N GLU A 26 -7.915 -15.669 3.749 1.00 0.00 N ATOM 440 CA GLU A 26 -6.754 -15.897 2.840 1.00 0.00 C ATOM 441 C GLU A 26 -5.673 -14.862 3.161 1.00 0.00 C ATOM 442 O GLU A 26 -5.846 -13.672 2.951 1.00 0.00 O ATOM 443 CB GLU A 26 -7.204 -15.748 1.387 1.00 0.00 C ATOM 444 CG GLU A 26 -6.074 -16.212 0.469 1.00 0.00 C ATOM 445 CD GLU A 26 -6.512 -16.102 -0.991 1.00 0.00 C ATOM 446 OE1 GLU A 26 -7.521 -15.466 -1.242 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.827 -16.657 -1.834 1.00 0.00 O ATOM 0 H GLU A 26 -8.187 -14.692 3.861 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.357 -16.902 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.102 -16.339 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.459 -14.709 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.184 -15.605 0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.805 -17.243 0.701 1.00 0.00 H new ATOM 454 N SER A 27 -4.563 -15.312 3.686 1.00 0.00 N ATOM 455 CA SER A 27 -3.452 -14.380 4.052 1.00 0.00 C ATOM 456 C SER A 27 -2.352 -14.430 2.996 1.00 0.00 C ATOM 457 O SER A 27 -1.854 -15.482 2.638 1.00 0.00 O ATOM 458 CB SER A 27 -2.877 -14.786 5.404 1.00 0.00 C ATOM 459 OG SER A 27 -3.886 -14.665 6.394 1.00 0.00 O ATOM 0 H SER A 27 -4.376 -16.296 3.879 1.00 0.00 H new ATOM 0 HA SER A 27 -3.843 -13.364 4.107 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.511 -15.812 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.026 -14.153 5.656 1.00 0.00 H new ATOM 0 HG SER A 27 -3.522 -14.926 7.266 1.00 0.00 H new ATOM 465 N ILE A 28 -1.977 -13.289 2.495 1.00 0.00 N ATOM 466 CA ILE A 28 -0.911 -13.224 1.456 1.00 0.00 C ATOM 467 C ILE A 28 -0.120 -11.928 1.635 1.00 0.00 C ATOM 468 O ILE A 28 -0.573 -10.996 2.273 1.00 0.00 O ATOM 469 CB ILE A 28 -1.535 -13.262 0.052 1.00 0.00 C ATOM 470 CG1 ILE A 28 -2.307 -11.960 -0.240 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.490 -14.449 -0.048 1.00 0.00 C ATOM 472 CD1 ILE A 28 -3.353 -11.681 0.849 1.00 0.00 C ATOM 0 H ILE A 28 -2.368 -12.386 2.764 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.247 -14.081 1.565 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.734 -13.364 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.609 -11.125 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.799 -12.035 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.933 -14.477 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.941 -15.374 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.279 -14.345 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.882 -10.757 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.064 -12.506 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.856 -11.582 1.814 1.00 0.00 H new ATOM 484 N GLU A 29 1.056 -11.865 1.076 1.00 0.00 N ATOM 485 CA GLU A 29 1.898 -10.635 1.204 1.00 0.00 C ATOM 486 C GLU A 29 1.845 -9.822 -0.088 1.00 0.00 C ATOM 487 O GLU A 29 2.074 -10.325 -1.172 1.00 0.00 O ATOM 488 CB GLU A 29 3.339 -11.045 1.497 1.00 0.00 C ATOM 489 CG GLU A 29 3.408 -11.614 2.913 1.00 0.00 C ATOM 490 CD GLU A 29 4.824 -12.116 3.202 1.00 0.00 C ATOM 491 OE1 GLU A 29 5.673 -11.962 2.341 1.00 0.00 O ATOM 492 OE2 GLU A 29 5.034 -12.642 4.284 1.00 0.00 O ATOM 0 H GLU A 29 1.476 -12.618 0.531 1.00 0.00 H new ATOM 0 HA GLU A 29 1.516 -10.020 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.675 -11.789 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.003 -10.186 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.129 -10.848 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.694 -12.430 3.022 1.00 0.00 H new ATOM 499 N GLU A 30 1.536 -8.558 0.032 1.00 0.00 N ATOM 500 CA GLU A 30 1.454 -7.673 -1.169 1.00 0.00 C ATOM 501 C GLU A 30 2.001 -6.287 -0.822 1.00 0.00 C ATOM 502 O GLU A 30 1.991 -5.864 0.318 1.00 0.00 O ATOM 503 CB GLU A 30 -0.001 -7.553 -1.626 1.00 0.00 C ATOM 504 CG GLU A 30 -0.451 -8.877 -2.243 1.00 0.00 C ATOM 505 CD GLU A 30 -1.929 -8.792 -2.628 1.00 0.00 C ATOM 506 OE1 GLU A 30 -2.531 -7.764 -2.370 1.00 0.00 O ATOM 507 OE2 GLU A 30 -2.432 -9.757 -3.182 1.00 0.00 O ATOM 0 H GLU A 30 1.335 -8.096 0.919 1.00 0.00 H new ATOM 0 HA GLU A 30 2.047 -8.105 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.639 -7.298 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.100 -6.748 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.151 -9.102 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.296 -9.691 -1.534 1.00 0.00 H new ATOM 514 N VAL A 31 2.478 -5.584 -1.809 1.00 0.00 N ATOM 515 CA VAL A 31 3.039 -4.225 -1.574 1.00 0.00 C ATOM 516 C VAL A 31 1.903 -3.225 -1.329 1.00 0.00 C ATOM 517 O VAL A 31 0.912 -3.204 -2.036 1.00 0.00 O ATOM 518 CB VAL A 31 3.855 -3.810 -2.800 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.342 -2.370 -2.637 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.060 -4.744 -2.939 1.00 0.00 C ATOM 0 H VAL A 31 2.504 -5.896 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 31 3.682 -4.237 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 31 3.231 -3.876 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.922 -2.081 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.484 -1.705 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.967 -2.296 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.646 -4.454 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.680 -4.674 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.713 -5.770 -3.060 1.00 0.00 H new ATOM 530 N ALA A 32 2.040 -2.406 -0.323 1.00 0.00 N ATOM 531 CA ALA A 32 0.973 -1.407 -0.011 1.00 0.00 C ATOM 532 C ALA A 32 0.785 -0.443 -1.190 1.00 0.00 C ATOM 533 O ALA A 32 -0.319 -0.132 -1.590 1.00 0.00 O ATOM 534 CB ALA A 32 1.397 -0.609 1.225 1.00 0.00 C ATOM 0 H ALA A 32 2.847 -2.384 0.300 1.00 0.00 H new ATOM 0 HA ALA A 32 0.033 -1.928 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.628 0.125 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.528 -1.287 2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.337 -0.096 1.022 1.00 0.00 H new ATOM 540 N ASP A 33 1.864 0.034 -1.744 1.00 0.00 N ATOM 541 CA ASP A 33 1.766 0.987 -2.891 1.00 0.00 C ATOM 542 C ASP A 33 0.858 0.404 -3.982 1.00 0.00 C ATOM 543 O ASP A 33 0.467 1.084 -4.911 1.00 0.00 O ATOM 544 CB ASP A 33 3.165 1.205 -3.475 1.00 0.00 C ATOM 545 CG ASP A 33 3.161 2.417 -4.410 1.00 0.00 C ATOM 546 OD1 ASP A 33 2.293 3.258 -4.255 1.00 0.00 O ATOM 547 OD2 ASP A 33 4.034 2.483 -5.261 1.00 0.00 O ATOM 0 H ASP A 33 2.814 -0.194 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 33 1.348 1.931 -2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.884 1.359 -2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.483 0.316 -4.020 1.00 0.00 H new ATOM 552 N ASP A 34 0.522 -0.852 -3.880 1.00 0.00 N ATOM 553 CA ASP A 34 -0.356 -1.485 -4.915 1.00 0.00 C ATOM 554 C ASP A 34 -1.813 -1.489 -4.440 1.00 0.00 C ATOM 555 O ASP A 34 -2.731 -1.320 -5.218 1.00 0.00 O ATOM 556 CB ASP A 34 0.092 -2.929 -5.136 1.00 0.00 C ATOM 557 CG ASP A 34 -0.759 -3.563 -6.241 1.00 0.00 C ATOM 558 OD1 ASP A 34 -1.710 -2.928 -6.665 1.00 0.00 O ATOM 559 OD2 ASP A 34 -0.441 -4.670 -6.641 1.00 0.00 O ATOM 0 H ASP A 34 0.816 -1.472 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.279 -0.917 -5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.146 -2.956 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.009 -3.498 -4.212 1.00 0.00 H new ATOM 564 N ILE A 35 -2.031 -1.687 -3.167 1.00 0.00 N ATOM 565 CA ILE A 35 -3.429 -1.714 -2.624 1.00 0.00 C ATOM 566 C ILE A 35 -3.707 -0.419 -1.860 1.00 0.00 C ATOM 567 O ILE A 35 -4.794 -0.198 -1.366 1.00 0.00 O ATOM 568 CB ILE A 35 -3.585 -2.912 -1.686 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.448 -2.920 -0.659 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.540 -4.200 -2.506 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.690 -4.037 0.361 1.00 0.00 C ATOM 0 H ILE A 35 -1.298 -1.833 -2.472 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.139 -1.803 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.538 -2.841 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.492 -3.071 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.394 -1.956 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.651 -5.058 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.352 -4.197 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.585 -4.266 -3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.882 -4.044 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.638 -3.866 0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.722 -4.998 -0.153 1.00 0.00 H new ATOM 583 N LEU A 36 -2.726 0.441 -1.766 1.00 0.00 N ATOM 584 CA LEU A 36 -2.915 1.736 -1.039 1.00 0.00 C ATOM 585 C LEU A 36 -2.422 2.890 -1.917 1.00 0.00 C ATOM 586 O LEU A 36 -1.260 3.239 -1.890 1.00 0.00 O ATOM 587 CB LEU A 36 -2.113 1.705 0.263 1.00 0.00 C ATOM 588 CG LEU A 36 -2.838 0.814 1.294 1.00 0.00 C ATOM 589 CD1 LEU A 36 -1.821 0.228 2.279 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.876 1.647 2.064 1.00 0.00 C ATOM 0 H LEU A 36 -1.797 0.303 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.972 1.879 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.110 1.321 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.999 2.715 0.656 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.343 0.003 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.338 -0.400 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.091 -0.371 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.310 1.038 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.385 1.013 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.374 2.464 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.606 2.056 1.365 1.00 0.00 H new ATOM 602 N PRO A 37 -3.298 3.474 -2.694 1.00 0.00 N ATOM 603 CA PRO A 37 -2.941 4.601 -3.597 1.00 0.00 C ATOM 604 C PRO A 37 -2.232 5.746 -2.864 1.00 0.00 C ATOM 605 O PRO A 37 -2.365 5.925 -1.668 1.00 0.00 O ATOM 606 CB PRO A 37 -4.295 5.067 -4.170 1.00 0.00 C ATOM 607 CG PRO A 37 -5.210 3.892 -4.028 1.00 0.00 C ATOM 608 CD PRO A 37 -4.723 3.116 -2.804 1.00 0.00 C ATOM 0 HA PRO A 37 -2.235 4.287 -4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.676 5.930 -3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.198 5.366 -5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.242 4.216 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.183 3.267 -4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.275 3.398 -1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.855 2.042 -2.935 1.00 0.00 H new ATOM 616 N ASP A 38 -1.480 6.521 -3.592 1.00 0.00 N ATOM 617 CA ASP A 38 -0.750 7.668 -2.981 1.00 0.00 C ATOM 618 C ASP A 38 -1.730 8.516 -2.159 1.00 0.00 C ATOM 619 O ASP A 38 -1.346 9.406 -1.426 1.00 0.00 O ATOM 620 CB ASP A 38 -0.152 8.525 -4.100 1.00 0.00 C ATOM 621 CG ASP A 38 1.026 7.787 -4.739 1.00 0.00 C ATOM 622 OD1 ASP A 38 1.486 6.824 -4.149 1.00 0.00 O ATOM 623 OD2 ASP A 38 1.447 8.195 -5.809 1.00 0.00 O ATOM 0 H ASP A 38 -1.338 6.408 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 38 0.043 7.299 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.911 8.739 -4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.180 9.483 -3.700 1.00 0.00 H new ATOM 628 N GLN A 39 -2.997 8.233 -2.276 1.00 0.00 N ATOM 629 CA GLN A 39 -4.023 9.001 -1.513 1.00 0.00 C ATOM 630 C GLN A 39 -3.756 8.869 -0.010 1.00 0.00 C ATOM 631 O GLN A 39 -4.043 9.761 0.764 1.00 0.00 O ATOM 632 CB GLN A 39 -5.407 8.428 -1.829 1.00 0.00 C ATOM 633 CG GLN A 39 -5.730 8.636 -3.310 1.00 0.00 C ATOM 634 CD GLN A 39 -5.854 10.130 -3.605 1.00 0.00 C ATOM 635 OE1 GLN A 39 -6.578 10.836 -2.934 1.00 0.00 O ATOM 636 NE2 GLN A 39 -5.171 10.645 -4.592 1.00 0.00 N ATOM 0 H GLN A 39 -3.370 7.495 -2.873 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.978 10.053 -1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.434 7.365 -1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.162 8.915 -1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.947 8.197 -3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.660 8.127 -3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.563 10.051 -5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.246 11.641 -4.799 1.00 0.00 H new ATOM 645 N TYR A 40 -3.216 7.759 0.413 1.00 0.00 N ATOM 646 CA TYR A 40 -2.935 7.560 1.870 1.00 0.00 C ATOM 647 C TYR A 40 -1.579 6.865 2.045 1.00 0.00 C ATOM 648 O TYR A 40 -1.429 5.965 2.846 1.00 0.00 O ATOM 649 CB TYR A 40 -4.045 6.702 2.482 1.00 0.00 C ATOM 650 CG TYR A 40 -5.356 7.457 2.430 1.00 0.00 C ATOM 651 CD1 TYR A 40 -5.652 8.416 3.407 1.00 0.00 C ATOM 652 CD2 TYR A 40 -6.278 7.196 1.406 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.866 9.113 3.361 1.00 0.00 C ATOM 654 CE2 TYR A 40 -7.493 7.894 1.362 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.787 8.853 2.339 1.00 0.00 C ATOM 656 OH TYR A 40 -8.982 9.541 2.296 1.00 0.00 O ATOM 0 H TYR A 40 -2.955 6.977 -0.187 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.903 8.526 2.374 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.133 5.761 1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.798 6.452 3.514 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.943 8.618 4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.052 6.457 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.092 9.852 4.115 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.203 7.692 0.574 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.505 9.241 1.523 1.00 0.00 H new ATOM 666 N VAL A 41 -0.585 7.278 1.297 1.00 0.00 N ATOM 667 CA VAL A 41 0.770 6.643 1.417 1.00 0.00 C ATOM 668 C VAL A 41 1.861 7.699 1.183 1.00 0.00 C ATOM 669 O VAL A 41 2.746 7.887 1.992 1.00 0.00 O ATOM 670 CB VAL A 41 0.916 5.532 0.373 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.307 4.902 0.492 1.00 0.00 C ATOM 672 CG2 VAL A 41 -0.151 4.466 0.613 1.00 0.00 C ATOM 0 H VAL A 41 -0.651 8.027 0.608 1.00 0.00 H new ATOM 0 HA VAL A 41 0.876 6.222 2.417 1.00 0.00 H new ATOM 0 HB VAL A 41 0.792 5.950 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.413 4.111 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.067 5.664 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.432 4.482 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.048 3.675 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.027 4.046 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.140 4.916 0.529 1.00 0.00 H new ATOM 682 N ARG A 42 1.796 8.385 0.075 1.00 0.00 N ATOM 683 CA ARG A 42 2.819 9.437 -0.234 1.00 0.00 C ATOM 684 C ARG A 42 4.237 8.889 -0.007 1.00 0.00 C ATOM 685 O ARG A 42 4.632 7.894 -0.583 1.00 0.00 O ATOM 686 CB ARG A 42 2.606 10.661 0.666 1.00 0.00 C ATOM 687 CG ARG A 42 1.270 11.316 0.333 1.00 0.00 C ATOM 688 CD ARG A 42 1.048 12.519 1.253 1.00 0.00 C ATOM 689 NE ARG A 42 0.850 12.041 2.652 1.00 0.00 N ATOM 690 CZ ARG A 42 0.686 12.894 3.630 1.00 0.00 C ATOM 691 NH1 ARG A 42 0.705 14.179 3.396 1.00 0.00 N ATOM 692 NH2 ARG A 42 0.506 12.459 4.845 1.00 0.00 N ATOM 0 H ARG A 42 1.076 8.265 -0.637 1.00 0.00 H new ATOM 0 HA ARG A 42 2.706 9.726 -1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.624 10.362 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.418 11.375 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.259 11.635 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.460 10.597 0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.905 13.191 1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.178 13.087 0.924 1.00 0.00 H new ATOM 0 HE ARG A 42 0.842 11.040 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.848 14.522 2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.576 14.839 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.493 11.456 5.031 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.378 13.121 5.610 1.00 0.00 H new ATOM 706 N LEU A 43 5.006 9.544 0.825 1.00 0.00 N ATOM 707 CA LEU A 43 6.402 9.094 1.104 1.00 0.00 C ATOM 708 C LEU A 43 6.429 8.352 2.450 1.00 0.00 C ATOM 709 O LEU A 43 7.463 7.913 2.916 1.00 0.00 O ATOM 710 CB LEU A 43 7.323 10.330 1.164 1.00 0.00 C ATOM 711 CG LEU A 43 6.554 11.543 1.713 1.00 0.00 C ATOM 712 CD1 LEU A 43 5.994 11.223 3.103 1.00 0.00 C ATOM 713 CD2 LEU A 43 7.507 12.740 1.814 1.00 0.00 C ATOM 0 H LEU A 43 4.721 10.383 1.330 1.00 0.00 H new ATOM 0 HA LEU A 43 6.748 8.424 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.184 10.120 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.707 10.554 0.169 1.00 0.00 H new ATOM 0 HG LEU A 43 5.729 11.780 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.451 12.088 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.318 10.371 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.814 10.983 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.967 13.603 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.330 12.494 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.903 12.975 0.826 1.00 0.00 H new ATOM 725 N GLY A 44 5.294 8.216 3.075 1.00 0.00 N ATOM 726 CA GLY A 44 5.235 7.516 4.393 1.00 0.00 C ATOM 727 C GLY A 44 6.021 6.202 4.332 1.00 0.00 C ATOM 728 O GLY A 44 6.467 5.782 3.284 1.00 0.00 O ATOM 0 H GLY A 44 4.398 8.561 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.646 8.158 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.197 7.315 4.660 1.00 0.00 H new ATOM 732 N PRO A 45 6.186 5.561 5.461 1.00 0.00 N ATOM 733 CA PRO A 45 6.933 4.272 5.556 1.00 0.00 C ATOM 734 C PRO A 45 6.171 3.117 4.887 1.00 0.00 C ATOM 735 O PRO A 45 6.718 2.062 4.628 1.00 0.00 O ATOM 736 CB PRO A 45 7.067 4.039 7.072 1.00 0.00 C ATOM 737 CG PRO A 45 5.926 4.792 7.683 1.00 0.00 C ATOM 738 CD PRO A 45 5.671 5.995 6.771 1.00 0.00 C ATOM 0 HA PRO A 45 7.894 4.314 5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.014 2.978 7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.025 4.403 7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.039 4.163 7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.170 5.115 8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.610 6.241 6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.189 6.885 7.129 1.00 0.00 H new ATOM 746 N LEU A 46 4.915 3.313 4.604 1.00 0.00 N ATOM 747 CA LEU A 46 4.112 2.232 3.954 1.00 0.00 C ATOM 748 C LEU A 46 4.299 2.315 2.435 1.00 0.00 C ATOM 749 O LEU A 46 3.612 1.665 1.671 1.00 0.00 O ATOM 750 CB LEU A 46 2.634 2.423 4.304 1.00 0.00 C ATOM 751 CG LEU A 46 2.479 2.544 5.825 1.00 0.00 C ATOM 752 CD1 LEU A 46 1.001 2.754 6.174 1.00 0.00 C ATOM 753 CD2 LEU A 46 2.995 1.268 6.506 1.00 0.00 C ATOM 0 H LEU A 46 4.405 4.176 4.794 1.00 0.00 H new ATOM 0 HA LEU A 46 4.444 1.256 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.247 3.317 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.050 1.580 3.934 1.00 0.00 H new ATOM 0 HG LEU A 46 3.060 3.396 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.891 2.840 7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.641 3.667 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.419 1.905 5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.882 1.361 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.422 0.410 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.048 1.126 6.262 1.00 0.00 H new ATOM 765 N SER A 47 5.226 3.121 1.998 1.00 0.00 N ATOM 766 CA SER A 47 5.469 3.270 0.531 1.00 0.00 C ATOM 767 C SER A 47 5.558 1.896 -0.145 1.00 0.00 C ATOM 768 O SER A 47 4.565 1.273 -0.457 1.00 0.00 O ATOM 769 CB SER A 47 6.792 4.008 0.316 1.00 0.00 C ATOM 770 OG SER A 47 7.853 3.251 0.891 1.00 0.00 O ATOM 0 H SER A 47 5.830 3.687 2.595 1.00 0.00 H new ATOM 0 HA SER A 47 4.641 3.829 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.971 4.155 -0.749 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.748 4.997 0.771 1.00 0.00 H new ATOM 0 HG SER A 47 8.650 3.323 0.325 1.00 0.00 H new ATOM 776 N ASN A 48 6.755 1.429 -0.380 1.00 0.00 N ATOM 777 CA ASN A 48 6.941 0.104 -1.047 1.00 0.00 C ATOM 778 C ASN A 48 7.100 -0.987 0.019 1.00 0.00 C ATOM 779 O ASN A 48 7.620 -2.051 -0.241 1.00 0.00 O ATOM 780 CB ASN A 48 8.198 0.163 -1.921 1.00 0.00 C ATOM 781 CG ASN A 48 7.971 1.136 -3.082 1.00 0.00 C ATOM 782 OD1 ASN A 48 6.778 1.253 -3.601 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 8.891 1.796 -3.526 1.00 0.00 N flip ATOM 0 H ASN A 48 7.620 1.912 -0.137 1.00 0.00 H new ATOM 0 HA ASN A 48 6.074 -0.127 -1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.052 0.484 -1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.433 -0.830 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.824 1.707 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.730 2.439 -4.301 1.00 0.00 H new ATOM 790 N LYS A 49 6.659 -0.719 1.217 1.00 0.00 N ATOM 791 CA LYS A 49 6.784 -1.727 2.314 1.00 0.00 C ATOM 792 C LYS A 49 5.824 -2.896 2.074 1.00 0.00 C ATOM 793 O LYS A 49 4.689 -2.720 1.666 1.00 0.00 O ATOM 794 CB LYS A 49 6.455 -1.065 3.652 1.00 0.00 C ATOM 795 CG LYS A 49 6.673 -2.067 4.791 1.00 0.00 C ATOM 796 CD LYS A 49 6.416 -1.380 6.135 1.00 0.00 C ATOM 797 CE LYS A 49 6.652 -2.379 7.269 1.00 0.00 C ATOM 798 NZ LYS A 49 6.443 -1.701 8.580 1.00 0.00 N ATOM 0 H LYS A 49 6.215 0.159 1.487 1.00 0.00 H new ATOM 0 HA LYS A 49 7.806 -2.107 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.086 -0.189 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.422 -0.718 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.003 -2.919 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.691 -2.455 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.077 -0.521 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.394 -1.003 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.970 -3.224 7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.665 -2.778 7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.587 -2.384 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.122 -0.919 8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.474 -1.326 8.626 1.00 0.00 H new ATOM 812 N ILE A 50 6.278 -4.094 2.334 1.00 0.00 N ATOM 813 CA ILE A 50 5.411 -5.289 2.134 1.00 0.00 C ATOM 814 C ILE A 50 4.588 -5.531 3.395 1.00 0.00 C ATOM 815 O ILE A 50 5.118 -5.742 4.470 1.00 0.00 O ATOM 816 CB ILE A 50 6.283 -6.513 1.850 1.00 0.00 C ATOM 817 CG1 ILE A 50 6.964 -6.347 0.485 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.412 -7.774 1.834 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.029 -5.241 0.543 1.00 0.00 C ATOM 0 H ILE A 50 7.217 -4.295 2.678 1.00 0.00 H new ATOM 0 HA ILE A 50 4.744 -5.118 1.289 1.00 0.00 H new ATOM 0 HB ILE A 50 7.040 -6.606 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.425 -7.288 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.219 -6.102 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.036 -8.645 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.926 -7.893 2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.653 -7.682 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.501 -5.138 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.559 -4.297 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.784 -5.502 1.285 1.00 0.00 H new ATOM 831 N LEU A 51 3.291 -5.498 3.263 1.00 0.00 N ATOM 832 CA LEU A 51 2.393 -5.714 4.438 1.00 0.00 C ATOM 833 C LEU A 51 1.638 -7.033 4.280 1.00 0.00 C ATOM 834 O LEU A 51 1.250 -7.424 3.190 1.00 0.00 O ATOM 835 CB LEU A 51 1.395 -4.561 4.526 1.00 0.00 C ATOM 836 CG LEU A 51 2.148 -3.229 4.644 1.00 0.00 C ATOM 837 CD1 LEU A 51 1.135 -2.081 4.721 1.00 0.00 C ATOM 838 CD2 LEU A 51 3.030 -3.230 5.905 1.00 0.00 C ATOM 0 H LEU A 51 2.807 -5.329 2.381 1.00 0.00 H new ATOM 0 HA LEU A 51 2.991 -5.754 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.757 -4.552 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.742 -4.698 5.388 1.00 0.00 H new ATOM 0 HG LEU A 51 2.786 -3.097 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.666 -1.133 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.522 -2.075 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.496 -2.218 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.560 -2.280 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.404 -3.366 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.752 -4.044 5.843 1.00 0.00 H new ATOM 850 N GLN A 52 1.428 -7.713 5.374 1.00 0.00 N ATOM 851 CA GLN A 52 0.696 -9.008 5.330 1.00 0.00 C ATOM 852 C GLN A 52 -0.798 -8.731 5.170 1.00 0.00 C ATOM 853 O GLN A 52 -1.495 -8.425 6.120 1.00 0.00 O ATOM 854 CB GLN A 52 0.952 -9.767 6.634 1.00 0.00 C ATOM 855 CG GLN A 52 2.421 -10.195 6.690 1.00 0.00 C ATOM 856 CD GLN A 52 2.714 -10.870 8.032 1.00 0.00 C ATOM 857 OE1 GLN A 52 1.828 -11.053 8.841 1.00 0.00 O ATOM 858 NE2 GLN A 52 3.933 -11.254 8.300 1.00 0.00 N ATOM 0 H GLN A 52 1.735 -7.424 6.303 1.00 0.00 H new ATOM 0 HA GLN A 52 1.041 -9.609 4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.713 -9.135 7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.304 -10.641 6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.641 -10.881 5.872 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.067 -9.327 6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.677 -11.100 7.620 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.141 -11.708 9.189 1.00 0.00 H new ATOM 867 N THR A 53 -1.293 -8.831 3.970 1.00 0.00 N ATOM 868 CA THR A 53 -2.738 -8.565 3.729 1.00 0.00 C ATOM 869 C THR A 53 -3.560 -9.814 4.064 1.00 0.00 C ATOM 870 O THR A 53 -3.072 -10.928 4.026 1.00 0.00 O ATOM 871 CB THR A 53 -2.948 -8.195 2.254 1.00 0.00 C ATOM 872 OG1 THR A 53 -2.395 -6.913 2.009 1.00 0.00 O ATOM 873 CG2 THR A 53 -4.447 -8.174 1.927 1.00 0.00 C ATOM 0 H THR A 53 -0.757 -9.087 3.141 1.00 0.00 H new ATOM 0 HA THR A 53 -3.063 -7.741 4.364 1.00 0.00 H new ATOM 0 HB THR A 53 -2.455 -8.936 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.233 -6.805 1.049 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.587 -7.911 0.879 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.874 -9.159 2.114 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.946 -7.437 2.556 1.00 0.00 H new ATOM 881 N ASN A 54 -4.809 -9.625 4.383 1.00 0.00 N ATOM 882 CA ASN A 54 -5.693 -10.776 4.716 1.00 0.00 C ATOM 883 C ASN A 54 -7.084 -10.498 4.150 1.00 0.00 C ATOM 884 O ASN A 54 -7.916 -9.869 4.774 1.00 0.00 O ATOM 885 CB ASN A 54 -5.749 -10.943 6.232 1.00 0.00 C ATOM 886 CG ASN A 54 -6.583 -12.174 6.581 1.00 0.00 C ATOM 887 OD1 ASN A 54 -7.347 -12.147 7.633 1.00 0.00 O flip ATOM 888 ND2 ASN A 54 -6.536 -13.170 5.886 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.260 -8.711 4.428 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.307 -11.698 4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.741 -11.048 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.184 -10.055 6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.936 -13.189 5.061 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.097 -13.987 6.127 1.00 0.00 H new ATOM 895 N THR A 55 -7.327 -10.958 2.953 1.00 0.00 N ATOM 896 CA THR A 55 -8.645 -10.725 2.295 1.00 0.00 C ATOM 897 C THR A 55 -9.608 -11.859 2.639 1.00 0.00 C ATOM 898 O THR A 55 -9.242 -13.019 2.665 1.00 0.00 O ATOM 899 CB THR A 55 -8.447 -10.663 0.781 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.507 -9.646 0.475 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.780 -10.350 0.097 1.00 0.00 C ATOM 0 H THR A 55 -6.660 -11.492 2.396 1.00 0.00 H new ATOM 0 HA THR A 55 -9.065 -9.784 2.651 1.00 0.00 H new ATOM 0 HB THR A 55 -8.079 -11.624 0.423 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.375 -9.603 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.634 -10.307 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.503 -11.131 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.154 -9.389 0.451 1.00 0.00 H new ATOM 909 N TYR A 56 -10.843 -11.523 2.900 1.00 0.00 N ATOM 910 CA TYR A 56 -11.861 -12.560 3.243 1.00 0.00 C ATOM 911 C TYR A 56 -12.791 -12.759 2.051 1.00 0.00 C ATOM 912 O TYR A 56 -13.239 -11.810 1.434 1.00 0.00 O ATOM 913 CB TYR A 56 -12.671 -12.096 4.451 1.00 0.00 C ATOM 914 CG TYR A 56 -11.786 -12.088 5.669 1.00 0.00 C ATOM 915 CD1 TYR A 56 -11.032 -10.951 5.980 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.716 -13.221 6.485 1.00 0.00 C ATOM 917 CE1 TYR A 56 -10.205 -10.949 7.110 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.891 -13.220 7.616 1.00 0.00 C ATOM 919 CZ TYR A 56 -10.135 -12.084 7.928 1.00 0.00 C ATOM 920 OH TYR A 56 -9.321 -12.083 9.042 1.00 0.00 O ATOM 0 H TYR A 56 -11.194 -10.565 2.890 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.364 -13.500 3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -13.073 -11.099 4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.522 -12.759 4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.088 -10.076 5.349 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.299 -14.097 6.243 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.621 -10.073 7.351 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.838 -14.095 8.247 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.390 -11.947 8.767 1.00 0.00 H new ATOM 930 N TYR A 57 -13.071 -13.990 1.717 1.00 0.00 N ATOM 931 CA TYR A 57 -13.963 -14.284 0.553 1.00 0.00 C ATOM 932 C TYR A 57 -15.181 -15.080 1.016 1.00 0.00 C ATOM 933 O TYR A 57 -15.070 -16.099 1.676 1.00 0.00 O ATOM 934 CB TYR A 57 -13.182 -15.095 -0.478 1.00 0.00 C ATOM 935 CG TYR A 57 -12.101 -14.228 -1.071 1.00 0.00 C ATOM 936 CD1 TYR A 57 -12.409 -13.344 -2.110 1.00 0.00 C ATOM 937 CD2 TYR A 57 -10.792 -14.301 -0.578 1.00 0.00 C ATOM 938 CE1 TYR A 57 -11.408 -12.535 -2.663 1.00 0.00 C ATOM 939 CE2 TYR A 57 -9.791 -13.491 -1.130 1.00 0.00 C ATOM 940 CZ TYR A 57 -10.100 -12.607 -2.172 1.00 0.00 C ATOM 941 OH TYR A 57 -9.113 -11.810 -2.716 1.00 0.00 O ATOM 0 H TYR A 57 -12.718 -14.814 2.204 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.302 -13.348 0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.743 -15.976 -0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.851 -15.451 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.420 -13.285 -2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.555 -14.981 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.646 -11.856 -3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.781 -13.548 -0.752 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.264 -11.984 -2.259 1.00 0.00 H new ATOM 951 N SER A 58 -16.345 -14.613 0.663 1.00 0.00 N ATOM 952 CA SER A 58 -17.605 -15.311 1.052 1.00 0.00 C ATOM 953 C SER A 58 -18.557 -15.343 -0.148 1.00 0.00 C ATOM 954 O SER A 58 -18.412 -14.593 -1.094 1.00 0.00 O ATOM 955 CB SER A 58 -18.271 -14.573 2.210 1.00 0.00 C ATOM 956 OG SER A 58 -17.311 -14.338 3.226 1.00 0.00 O ATOM 0 H SER A 58 -16.480 -13.765 0.113 1.00 0.00 H new ATOM 0 HA SER A 58 -17.372 -16.329 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.689 -13.628 1.863 1.00 0.00 H new ATOM 0 HB3 SER A 58 -19.099 -15.162 2.604 1.00 0.00 H new ATOM 0 HG SER A 58 -17.571 -13.549 3.745 1.00 0.00 H new ATOM 962 N ASP A 59 -19.531 -16.203 -0.103 1.00 0.00 N ATOM 963 CA ASP A 59 -20.513 -16.302 -1.226 1.00 0.00 C ATOM 964 C ASP A 59 -21.273 -14.976 -1.373 1.00 0.00 C ATOM 965 O ASP A 59 -21.483 -14.473 -2.461 1.00 0.00 O ATOM 966 CB ASP A 59 -21.511 -17.415 -0.897 1.00 0.00 C ATOM 967 CG ASP A 59 -20.840 -18.780 -1.051 1.00 0.00 C ATOM 968 OD1 ASP A 59 -19.782 -18.833 -1.654 1.00 0.00 O ATOM 969 OD2 ASP A 59 -21.394 -19.751 -0.558 1.00 0.00 O ATOM 0 H ASP A 59 -19.695 -16.850 0.669 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.989 -16.519 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.880 -17.295 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.374 -17.348 -1.559 1.00 0.00 H new ATOM 974 N THR A 60 -21.688 -14.414 -0.275 1.00 0.00 N ATOM 975 CA THR A 60 -22.441 -13.124 -0.317 1.00 0.00 C ATOM 976 C THR A 60 -21.507 -11.994 -0.773 1.00 0.00 C ATOM 977 O THR A 60 -21.908 -11.079 -1.464 1.00 0.00 O ATOM 978 CB THR A 60 -22.982 -12.807 1.085 1.00 0.00 C ATOM 979 OG1 THR A 60 -23.079 -11.399 1.243 1.00 0.00 O ATOM 980 CG2 THR A 60 -22.035 -13.368 2.150 1.00 0.00 C ATOM 0 H THR A 60 -21.538 -14.793 0.660 1.00 0.00 H new ATOM 0 HA THR A 60 -23.270 -13.210 -1.019 1.00 0.00 H new ATOM 0 HB THR A 60 -23.965 -13.263 1.201 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.985 -11.105 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 60 -22.426 -13.139 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 60 -21.955 -14.449 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 60 -21.050 -12.916 2.035 1.00 0.00 H new ATOM 988 N LEU A 61 -20.265 -12.053 -0.382 1.00 0.00 N ATOM 989 CA LEU A 61 -19.296 -10.985 -0.779 1.00 0.00 C ATOM 990 C LEU A 61 -19.137 -10.966 -2.301 1.00 0.00 C ATOM 991 O LEU A 61 -19.077 -9.923 -2.923 1.00 0.00 O ATOM 992 CB LEU A 61 -17.933 -11.277 -0.139 1.00 0.00 C ATOM 993 CG LEU A 61 -17.948 -10.891 1.348 1.00 0.00 C ATOM 994 CD1 LEU A 61 -16.693 -11.455 2.027 1.00 0.00 C ATOM 995 CD2 LEU A 61 -17.977 -9.356 1.512 1.00 0.00 C ATOM 0 H LEU A 61 -19.875 -12.796 0.198 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.670 -10.018 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.693 -12.335 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.153 -10.720 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 61 -18.843 -11.306 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -16.698 -11.184 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.684 -12.541 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.804 -11.041 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -17.987 -9.103 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -17.092 -8.923 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -18.872 -8.956 1.035 1.00 0.00 H new ATOM 1007 N HIS A 62 -19.062 -12.117 -2.901 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.899 -12.183 -4.380 1.00 0.00 C ATOM 1009 C HIS A 62 -20.143 -11.592 -5.048 1.00 0.00 C ATOM 1010 O HIS A 62 -20.062 -10.863 -6.017 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.743 -13.646 -4.794 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.371 -14.138 -4.419 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -17.178 -15.235 -3.590 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -16.118 -13.698 -4.756 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -15.849 -15.414 -3.460 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -15.157 -14.504 -4.151 1.00 0.00 N ATOM 0 H HIS A 62 -19.107 -13.021 -2.430 1.00 0.00 H new ATOM 0 HA HIS A 62 -18.019 -11.618 -4.687 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -19.504 -14.255 -4.306 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -18.895 -13.748 -5.869 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -15.907 -12.853 -5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.398 -16.198 -2.869 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -14.143 -14.418 -4.221 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.295 -11.898 -4.523 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.561 -11.355 -5.101 1.00 0.00 C ATOM 1026 C LYS A 63 -22.566 -9.826 -4.978 1.00 0.00 C ATOM 1027 O LYS A 63 -22.913 -9.111 -5.897 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.746 -11.930 -4.320 1.00 0.00 C ATOM 1029 CG LYS A 63 -25.062 -11.467 -4.947 1.00 0.00 C ATOM 1030 CD LYS A 63 -26.237 -12.116 -4.208 1.00 0.00 C ATOM 1031 CE LYS A 63 -27.554 -11.682 -4.854 1.00 0.00 C ATOM 1032 NZ LYS A 63 -27.682 -10.198 -4.783 1.00 0.00 N ATOM 0 H LYS A 63 -21.418 -12.505 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.637 -11.632 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.697 -13.019 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.697 -11.608 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -25.140 -10.381 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -25.089 -11.737 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -26.145 -13.202 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -26.223 -11.826 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -27.587 -12.010 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -28.394 -12.154 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -28.680 -9.930 -4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -27.338 -9.864 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -27.117 -9.764 -5.541 1.00 0.00 H new ATOM 1046 N SER A 64 -22.181 -9.326 -3.837 1.00 0.00 N ATOM 1047 CA SER A 64 -22.156 -7.848 -3.623 1.00 0.00 C ATOM 1048 C SER A 64 -20.889 -7.258 -4.256 1.00 0.00 C ATOM 1049 O SER A 64 -20.702 -6.058 -4.294 1.00 0.00 O ATOM 1050 CB SER A 64 -22.159 -7.565 -2.120 1.00 0.00 C ATOM 1051 OG SER A 64 -23.384 -8.020 -1.561 1.00 0.00 O ATOM 0 H SER A 64 -21.880 -9.881 -3.036 1.00 0.00 H new ATOM 0 HA SER A 64 -23.031 -7.393 -4.086 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.318 -8.068 -1.642 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.037 -6.497 -1.939 1.00 0.00 H new ATOM 0 HG SER A 64 -23.324 -8.981 -1.380 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.019 -8.103 -4.744 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.749 -7.622 -5.374 1.00 0.00 C ATOM 1059 C ASN A 65 -17.929 -6.837 -4.347 1.00 0.00 C ATOM 1060 O ASN A 65 -17.292 -5.852 -4.668 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.053 -6.722 -6.579 1.00 0.00 C ATOM 1062 CG ASN A 65 -20.007 -7.441 -7.536 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -20.723 -6.810 -8.286 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -20.048 -8.748 -7.545 1.00 0.00 N ATOM 0 H ASN A 65 -20.134 -9.117 -4.734 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.181 -8.487 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.498 -5.786 -6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.128 -6.467 -7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.680 -9.234 -8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.448 -9.281 -6.916 1.00 0.00 H new ATOM 1071 N ILE A 66 -17.941 -7.271 -3.114 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.166 -6.562 -2.048 1.00 0.00 C ATOM 1073 C ILE A 66 -15.990 -7.430 -1.603 1.00 0.00 C ATOM 1074 O ILE A 66 -16.139 -8.599 -1.305 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.077 -6.277 -0.854 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.214 -5.358 -1.306 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.270 -5.589 0.254 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -20.277 -5.273 -0.210 1.00 0.00 C ATOM 0 H ILE A 66 -18.457 -8.091 -2.796 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.787 -5.620 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.487 -7.211 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -18.825 -4.364 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.657 -5.738 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.920 -5.386 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.454 -6.240 0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.861 -4.651 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -21.084 -4.618 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.675 -6.268 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.830 -4.873 0.700 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.815 -6.852 -1.562 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.595 -7.613 -1.143 1.00 0.00 C ATOM 1092 C TYR A 67 -12.939 -6.909 0.059 1.00 0.00 C ATOM 1093 O TYR A 67 -12.115 -6.031 -0.111 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.595 -7.653 -2.298 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.250 -8.287 -3.501 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.494 -9.668 -3.522 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.611 -7.498 -4.599 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.096 -10.256 -4.641 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.212 -8.087 -5.718 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.455 -9.466 -5.739 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.046 -10.045 -6.843 1.00 0.00 O ATOM 0 H TYR A 67 -14.646 -5.875 -1.803 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.882 -8.628 -0.868 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.261 -6.644 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.711 -8.221 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -13.217 -10.278 -2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.426 -6.434 -4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.283 -11.320 -4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.488 -7.477 -6.566 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.232 -9.355 -7.514 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.305 -7.281 1.261 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.745 -6.677 2.498 1.00 0.00 C ATOM 1113 C PRO A 68 -11.405 -7.303 2.888 1.00 0.00 C ATOM 1114 O PRO A 68 -11.189 -8.491 2.729 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.823 -6.963 3.551 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.487 -8.233 3.099 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.293 -8.325 1.575 1.00 0.00 C ATOM 0 HA PRO A 68 -12.529 -5.615 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.385 -7.079 4.542 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.540 -6.144 3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.046 -9.097 3.597 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.547 -8.225 3.353 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.934 -9.311 1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.230 -8.155 1.045 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.498 -6.515 3.398 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.175 -7.075 3.798 1.00 0.00 C ATOM 1127 C PHE A 69 -8.559 -6.228 4.911 1.00 0.00 C ATOM 1128 O PHE A 69 -8.874 -5.059 5.078 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.231 -7.111 2.591 1.00 0.00 C ATOM 1130 CG PHE A 69 -7.919 -5.707 2.120 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -6.851 -4.999 2.683 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -8.686 -5.122 1.103 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -6.548 -3.708 2.230 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -8.386 -3.830 0.653 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.316 -3.124 1.217 1.00 0.00 C ATOM 0 H PHE A 69 -10.614 -5.514 3.554 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.323 -8.091 4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.308 -7.625 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.688 -7.679 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.260 -5.448 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.509 -5.668 0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.722 -3.164 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -8.979 -3.379 -0.128 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.084 -2.128 0.870 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.677 -6.821 5.674 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.011 -6.096 6.798 1.00 0.00 C ATOM 1147 C ILE A 70 -5.497 -6.224 6.652 1.00 0.00 C ATOM 1148 O ILE A 70 -4.987 -7.239 6.213 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.442 -6.700 8.133 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -8.946 -6.492 8.324 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.685 -6.007 9.268 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.436 -7.287 9.539 1.00 0.00 C ATOM 0 H ILE A 70 -7.386 -7.792 5.564 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.299 -5.045 6.769 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.219 -7.767 8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.160 -5.432 8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.482 -6.811 7.430 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.990 -6.435 10.223 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.613 -6.151 9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.912 -4.941 9.259 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.507 -7.133 9.667 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.238 -8.348 9.384 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.911 -6.947 10.432 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.778 -5.195 7.008 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.290 -5.229 6.885 1.00 0.00 C ATOM 1166 C LEU A 71 -2.660 -5.440 8.259 1.00 0.00 C ATOM 1167 O LEU A 71 -2.969 -4.753 9.215 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.807 -3.898 6.310 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.545 -3.608 5.000 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -3.053 -2.278 4.424 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.286 -4.737 3.992 1.00 0.00 C ATOM 0 H LEU A 71 -5.159 -4.326 7.382 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.000 -6.048 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.985 -3.095 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.732 -3.935 6.133 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.616 -3.547 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.577 -2.069 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.249 -1.478 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.982 -2.339 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.814 -4.523 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.217 -4.809 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.643 -5.681 4.404 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.774 -6.392 8.353 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.092 -6.688 9.648 1.00 0.00 C ATOM 1185 C TYR A 72 0.418 -6.645 9.445 1.00 0.00 C ATOM 1186 O TYR A 72 0.927 -6.946 8.379 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.479 -8.086 10.131 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.934 -8.106 10.519 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.346 -7.488 11.705 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.875 -8.743 9.699 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.695 -7.507 12.073 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -5.225 -8.763 10.068 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.636 -8.143 11.256 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.965 -8.163 11.621 1.00 0.00 O ATOM 0 H TYR A 72 -1.488 -6.988 7.576 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.395 -5.946 10.387 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.293 -8.817 9.344 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.862 -8.370 10.983 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.621 -6.996 12.337 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.559 -9.218 8.782 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.011 -7.030 12.989 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.950 -9.256 9.437 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.483 -8.644 10.943 1.00 0.00 H new ATOM 1204 N TYR A 73 1.136 -6.279 10.468 1.00 0.00 N ATOM 1205 CA TYR A 73 2.623 -6.218 10.370 1.00 0.00 C ATOM 1206 C TYR A 73 3.233 -6.820 11.637 1.00 0.00 C ATOM 1207 O TYR A 73 3.087 -6.291 12.720 1.00 0.00 O ATOM 1208 CB TYR A 73 3.071 -4.766 10.219 1.00 0.00 C ATOM 1209 CG TYR A 73 4.578 -4.725 10.151 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.232 -5.171 8.998 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.320 -4.253 11.240 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.629 -5.148 8.931 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.718 -4.226 11.173 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.373 -4.676 10.019 1.00 0.00 C ATOM 1215 OH TYR A 73 8.751 -4.656 9.956 1.00 0.00 O ATOM 0 H TYR A 73 0.754 -6.017 11.377 1.00 0.00 H new ATOM 0 HA TYR A 73 2.957 -6.783 9.500 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.641 -4.330 9.317 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.715 -4.172 11.061 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.658 -5.534 8.158 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.815 -3.910 12.131 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.133 -5.494 8.041 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.292 -3.858 12.011 1.00 0.00 H new ATOM 0 HH TYR A 73 9.120 -5.192 10.689 1.00 0.00 H new ATOM 1225 N GLN A 74 3.907 -7.932 11.488 1.00 0.00 N ATOM 1226 CA GLN A 74 4.542 -8.623 12.655 1.00 0.00 C ATOM 1227 C GLN A 74 3.482 -8.936 13.716 1.00 0.00 C ATOM 1228 O GLN A 74 3.070 -10.068 13.888 1.00 0.00 O ATOM 1229 CB GLN A 74 5.629 -7.732 13.270 1.00 0.00 C ATOM 1230 CG GLN A 74 6.770 -7.556 12.267 1.00 0.00 C ATOM 1231 CD GLN A 74 7.837 -6.630 12.859 1.00 0.00 C ATOM 1232 OE1 GLN A 74 8.865 -6.288 12.130 1.00 0.00 O flip ATOM 1233 NE2 GLN A 74 7.734 -6.215 13.995 1.00 0.00 N flip ATOM 0 H GLN A 74 4.047 -8.399 10.592 1.00 0.00 H new ATOM 0 HA GLN A 74 4.994 -9.552 12.307 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.211 -6.761 13.536 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.005 -8.180 14.190 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.208 -8.525 12.026 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.388 -7.138 11.336 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.931 -6.482 14.565 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.450 -5.599 14.380 1.00 0.00 H new ATOM 1242 N LYS A 75 3.044 -7.941 14.425 1.00 0.00 N ATOM 1243 CA LYS A 75 2.012 -8.156 15.470 1.00 0.00 C ATOM 1244 C LYS A 75 1.389 -6.806 15.832 1.00 0.00 C ATOM 1245 O LYS A 75 1.480 -6.340 16.952 1.00 0.00 O ATOM 1246 CB LYS A 75 2.656 -8.793 16.707 1.00 0.00 C ATOM 1247 CG LYS A 75 1.566 -9.390 17.612 1.00 0.00 C ATOM 1248 CD LYS A 75 2.206 -10.188 18.760 1.00 0.00 C ATOM 1249 CE LYS A 75 2.655 -9.239 19.875 1.00 0.00 C ATOM 1250 NZ LYS A 75 1.483 -8.461 20.363 1.00 0.00 N ATOM 0 H LYS A 75 3.360 -6.976 14.325 1.00 0.00 H new ATOM 0 HA LYS A 75 1.236 -8.826 15.098 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.356 -9.571 16.404 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.228 -8.045 17.256 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.943 -8.593 18.017 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.914 -10.039 17.028 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.491 -10.911 19.153 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.060 -10.754 18.388 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.096 -9.806 20.695 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.425 -8.563 19.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.616 -8.226 21.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.394 -7.584 19.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.619 -9.029 20.252 1.00 0.00 H new ATOM 1264 N GLN A 76 0.757 -6.174 14.879 1.00 0.00 N ATOM 1265 CA GLN A 76 0.122 -4.852 15.146 1.00 0.00 C ATOM 1266 C GLN A 76 -0.723 -4.429 13.937 1.00 0.00 C ATOM 1267 O GLN A 76 -0.292 -4.498 12.800 1.00 0.00 O ATOM 1268 CB GLN A 76 1.199 -3.792 15.421 1.00 0.00 C ATOM 1269 CG GLN A 76 0.589 -2.607 16.183 1.00 0.00 C ATOM 1270 CD GLN A 76 -0.315 -1.799 15.245 1.00 0.00 C ATOM 1271 OE1 GLN A 76 -1.522 -1.808 15.389 1.00 0.00 O ATOM 1272 NE2 GLN A 76 0.222 -1.097 14.285 1.00 0.00 N ATOM 0 H GLN A 76 0.653 -6.518 13.924 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.520 -4.940 16.023 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.011 -4.229 16.002 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.630 -3.447 14.481 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.014 -2.968 17.036 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.380 -1.970 16.578 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.235 -1.089 14.164 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.371 -0.556 13.656 1.00 0.00 H new ATOM 1281 N LEU A 77 -1.926 -3.989 14.192 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.826 -3.555 13.087 1.00 0.00 C ATOM 1283 C LEU A 77 -2.256 -2.307 12.403 1.00 0.00 C ATOM 1284 O LEU A 77 -1.856 -1.356 13.048 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.212 -3.235 13.662 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.129 -2.649 12.573 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.220 -3.617 11.387 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.529 -2.427 13.157 1.00 0.00 C ATOM 0 H LEU A 77 -2.326 -3.911 15.127 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.906 -4.356 12.352 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.659 -4.140 14.073 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.116 -2.526 14.484 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.717 -1.701 12.229 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.871 -3.194 10.621 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.225 -3.776 10.970 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.629 -4.569 11.725 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.182 -2.012 12.389 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.934 -3.378 13.503 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.468 -1.733 13.995 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.235 -2.308 11.099 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.714 -1.131 10.343 1.00 0.00 C ATOM 1302 C ILE A 78 -2.886 -0.327 9.782 1.00 0.00 C ATOM 1303 O ILE A 78 -2.981 0.869 9.969 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.843 -1.627 9.187 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.341 -2.438 9.739 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.331 -0.436 8.376 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.173 -1.597 10.724 1.00 0.00 C ATOM 0 H ILE A 78 -2.559 -3.081 10.518 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.125 -0.499 11.007 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.439 -2.268 8.537 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.028 -3.332 10.241 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.973 -2.772 8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.289 -0.795 7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.177 0.122 7.976 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.261 0.215 9.019 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.004 -2.194 11.100 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.561 -0.716 10.213 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.544 -1.285 11.558 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.781 -0.970 9.086 1.00 0.00 N ATOM 1320 CA ALA A 79 -4.940 -0.226 8.513 1.00 0.00 C ATOM 1321 C ALA A 79 -5.996 -1.199 7.991 1.00 0.00 C ATOM 1322 O ALA A 79 -5.731 -2.370 7.790 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.465 0.653 7.359 1.00 0.00 C ATOM 0 H ALA A 79 -3.762 -1.971 8.889 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.377 0.390 9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.313 1.196 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.724 1.364 7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.018 0.028 6.586 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.189 -0.713 7.758 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.283 -1.589 7.234 1.00 0.00 C ATOM 1331 C ILE A 80 -8.876 -0.955 5.978 1.00 0.00 C ATOM 1332 O ILE A 80 -9.251 0.203 5.969 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.377 -1.727 8.289 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.779 -2.337 9.554 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.480 -2.640 7.748 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.823 -2.334 10.672 1.00 0.00 C ATOM 0 H ILE A 80 -7.455 0.260 7.909 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.879 -2.573 6.997 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.796 -0.748 8.522 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.447 -3.356 9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.901 -1.770 9.862 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.266 -2.744 8.496 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.899 -2.206 6.840 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.062 -3.621 7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.392 -2.770 11.573 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.133 -1.309 10.877 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.689 -2.920 10.363 1.00 0.00 H new ATOM 1348 N GLY A 81 -8.967 -1.711 4.918 1.00 0.00 N ATOM 1349 CA GLY A 81 -9.533 -1.166 3.647 1.00 0.00 C ATOM 1350 C GLY A 81 -10.368 -2.236 2.948 1.00 0.00 C ATOM 1351 O GLY A 81 -10.026 -3.405 2.942 1.00 0.00 O ATOM 0 H GLY A 81 -8.673 -2.687 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.149 -0.292 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.727 -0.836 2.992 1.00 0.00 H new ATOM 1355 N PHE A 82 -11.457 -1.841 2.351 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.330 -2.819 1.633 1.00 0.00 C ATOM 1357 C PHE A 82 -12.801 -2.189 0.326 1.00 0.00 C ATOM 1358 O PHE A 82 -12.965 -0.988 0.229 1.00 0.00 O ATOM 1359 CB PHE A 82 -13.544 -3.184 2.495 1.00 0.00 C ATOM 1360 CG PHE A 82 -14.386 -1.954 2.758 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.309 -1.519 1.798 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -14.257 -1.260 3.968 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -16.101 -0.391 2.047 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -15.050 -0.130 4.215 1.00 0.00 C ATOM 1365 CZ PHE A 82 -15.971 0.303 3.254 1.00 0.00 C ATOM 0 H PHE A 82 -11.785 -0.875 2.328 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.764 -3.728 1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.143 -3.943 1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.212 -3.616 3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -15.410 -2.054 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.547 -1.595 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.813 -0.057 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.950 0.406 5.147 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.581 1.173 3.445 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.017 -2.989 -0.683 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.471 -2.442 -1.997 1.00 0.00 C ATOM 1377 C ILE A 83 -14.975 -2.651 -2.146 1.00 0.00 C ATOM 1378 O ILE A 83 -15.488 -3.740 -1.985 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.740 -3.156 -3.132 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -11.231 -2.964 -2.955 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -13.184 -2.554 -4.468 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -10.473 -3.814 -3.978 1.00 0.00 C ATOM 0 H ILE A 83 -12.899 -4.002 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.248 -1.376 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.974 -4.220 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.972 -1.913 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.936 -3.247 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.667 -3.058 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -14.260 -2.683 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.942 -1.491 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.400 -3.672 -3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.721 -4.865 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.758 -3.511 -4.985 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.681 -1.600 -2.446 1.00 0.00 N ATOM 1395 CA ASP A 84 -17.159 -1.694 -2.605 1.00 0.00 C ATOM 1396 C ASP A 84 -17.511 -2.067 -4.044 1.00 0.00 C ATOM 1397 O ASP A 84 -16.651 -2.271 -4.879 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.789 -0.343 -2.258 1.00 0.00 C ATOM 1399 CG ASP A 84 -17.228 0.745 -3.178 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -16.603 0.398 -4.167 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -17.429 1.910 -2.872 1.00 0.00 O ATOM 0 H ASP A 84 -15.293 -0.668 -2.590 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.544 -2.465 -1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -18.872 -0.399 -2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.584 -0.093 -1.217 1.00 0.00 H new ATOM 1406 N GLU A 85 -18.777 -2.154 -4.332 1.00 0.00 N ATOM 1407 CA GLU A 85 -19.213 -2.511 -5.711 1.00 0.00 C ATOM 1408 C GLU A 85 -18.764 -1.422 -6.695 1.00 0.00 C ATOM 1409 O GLU A 85 -18.405 -1.693 -7.823 1.00 0.00 O ATOM 1410 CB GLU A 85 -20.741 -2.618 -5.737 1.00 0.00 C ATOM 1411 CG GLU A 85 -21.203 -3.053 -7.130 1.00 0.00 C ATOM 1412 CD GLU A 85 -22.724 -3.214 -7.149 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -23.363 -2.758 -6.214 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -23.224 -3.791 -8.100 1.00 0.00 O ATOM 0 H GLU A 85 -19.535 -1.992 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.767 -3.462 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -21.078 -3.337 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -21.187 -1.658 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.898 -2.314 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -20.726 -3.994 -7.403 1.00 0.00 H new ATOM 1421 N ASN A 86 -18.791 -0.189 -6.271 1.00 0.00 N ATOM 1422 CA ASN A 86 -18.377 0.930 -7.174 1.00 0.00 C ATOM 1423 C ASN A 86 -16.844 1.009 -7.229 1.00 0.00 C ATOM 1424 O ASN A 86 -16.271 2.039 -7.526 1.00 0.00 O ATOM 1425 CB ASN A 86 -18.952 2.248 -6.642 1.00 0.00 C ATOM 1426 CG ASN A 86 -18.328 2.580 -5.284 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -17.128 2.527 -5.124 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -19.107 2.925 -4.291 1.00 0.00 N ATOM 0 H ASN A 86 -19.082 0.096 -5.336 1.00 0.00 H new ATOM 0 HA ASN A 86 -18.758 0.751 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -18.753 3.053 -7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -20.035 2.169 -6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -18.704 3.150 -3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -20.117 2.969 -4.427 1.00 0.00 H new ATOM 1435 N HIS A 87 -16.184 -0.083 -6.945 1.00 0.00 N ATOM 1436 CA HIS A 87 -14.689 -0.108 -6.972 1.00 0.00 C ATOM 1437 C HIS A 87 -14.119 1.161 -6.328 1.00 0.00 C ATOM 1438 O HIS A 87 -13.760 2.113 -6.995 1.00 0.00 O ATOM 1439 CB HIS A 87 -14.187 -0.238 -8.415 1.00 0.00 C ATOM 1440 CG HIS A 87 -14.689 0.911 -9.243 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -15.976 0.940 -9.757 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -14.093 2.075 -9.657 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -16.111 2.088 -10.445 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -14.992 2.817 -10.417 1.00 0.00 N ATOM 0 H HIS A 87 -16.621 -0.969 -6.692 1.00 0.00 H new ATOM 0 HA HIS A 87 -14.348 -0.971 -6.401 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -13.097 -0.257 -8.429 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -14.528 -1.181 -8.843 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -13.080 2.371 -9.428 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -17.014 2.384 -10.958 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.831 3.723 -10.858 1.00 0.00 H new ATOM 1452 N ASP A 88 -14.030 1.172 -5.028 1.00 0.00 N ATOM 1453 CA ASP A 88 -13.485 2.364 -4.316 1.00 0.00 C ATOM 1454 C ASP A 88 -12.849 1.923 -2.991 1.00 0.00 C ATOM 1455 O ASP A 88 -13.526 1.573 -2.044 1.00 0.00 O ATOM 1456 CB ASP A 88 -14.614 3.362 -4.054 1.00 0.00 C ATOM 1457 CG ASP A 88 -14.050 4.613 -3.378 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -12.883 4.596 -3.024 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -14.796 5.565 -3.230 1.00 0.00 O ATOM 0 H ASP A 88 -14.313 0.401 -4.423 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.724 2.843 -4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.099 3.631 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.375 2.907 -3.421 1.00 0.00 H new ATOM 1464 N MET A 89 -11.543 1.937 -2.929 1.00 0.00 N ATOM 1465 CA MET A 89 -10.837 1.519 -1.681 1.00 0.00 C ATOM 1466 C MET A 89 -11.248 2.440 -0.530 1.00 0.00 C ATOM 1467 O MET A 89 -10.731 3.530 -0.369 1.00 0.00 O ATOM 1468 CB MET A 89 -9.326 1.611 -1.906 1.00 0.00 C ATOM 1469 CG MET A 89 -8.894 0.532 -2.902 1.00 0.00 C ATOM 1470 SD MET A 89 -7.105 0.627 -3.162 1.00 0.00 S ATOM 1471 CE MET A 89 -7.012 -0.524 -4.557 1.00 0.00 C ATOM 0 H MET A 89 -10.931 2.222 -3.694 1.00 0.00 H new ATOM 0 HA MET A 89 -11.105 0.493 -1.430 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.063 2.598 -2.286 1.00 0.00 H new ATOM 0 HB3 MET A 89 -8.798 1.482 -0.961 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.165 -0.454 -2.525 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.417 0.666 -3.849 1.00 0.00 H new ATOM 0 HE1 MET A 89 -5.976 -0.617 -4.884 1.00 0.00 H new ATOM 0 HE2 MET A 89 -7.384 -1.501 -4.248 1.00 0.00 H new ATOM 0 HE3 MET A 89 -7.620 -0.148 -5.380 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.183 2.006 0.266 1.00 0.00 N ATOM 1482 CA ASP A 90 -12.658 2.840 1.411 1.00 0.00 C ATOM 1483 C ASP A 90 -11.948 2.413 2.694 1.00 0.00 C ATOM 1484 O ASP A 90 -12.076 1.291 3.149 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.166 2.655 1.578 1.00 0.00 C ATOM 1486 CG ASP A 90 -14.896 3.386 0.451 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.260 4.181 -0.222 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.079 3.143 0.281 1.00 0.00 O ATOM 0 H ASP A 90 -12.645 1.101 0.174 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.435 3.888 1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.417 1.595 1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.486 3.043 2.545 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.207 3.312 3.282 1.00 0.00 N ATOM 1494 CA PHE A 91 -10.481 2.996 4.547 1.00 0.00 C ATOM 1495 C PHE A 91 -11.219 3.649 5.718 1.00 0.00 C ATOM 1496 O PHE A 91 -11.298 4.858 5.829 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.056 3.546 4.467 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.348 2.923 3.290 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -7.774 1.654 3.412 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.264 3.616 2.076 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.115 1.074 2.323 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -7.604 3.035 0.984 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.030 1.762 1.108 1.00 0.00 C ATOM 0 H PHE A 91 -11.072 4.262 2.937 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.441 1.917 4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.078 4.631 4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.517 3.327 5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.840 1.121 4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.707 4.596 1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.671 0.094 2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.538 3.568 0.047 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.523 1.313 0.267 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.759 2.845 6.585 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.506 3.375 7.766 1.00 0.00 C ATOM 1515 C LEU A 92 -11.547 3.439 8.960 1.00 0.00 C ATOM 1516 O LEU A 92 -11.860 3.978 10.002 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.690 2.433 8.088 1.00 0.00 C ATOM 1518 CG LEU A 92 -13.381 1.007 7.614 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -12.142 0.476 8.339 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -14.576 0.104 7.920 1.00 0.00 C ATOM 0 H LEU A 92 -11.717 1.827 6.529 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.895 4.371 7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.882 2.433 9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.595 2.797 7.602 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.191 1.016 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.927 -0.537 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.290 1.120 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.325 0.466 9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.361 -0.911 7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -14.763 0.099 8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.458 0.479 7.400 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.374 2.891 8.810 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.391 2.917 9.927 1.00 0.00 C ATOM 1534 C TYR A 93 -7.986 2.933 9.344 1.00 0.00 C ATOM 1535 O TYR A 93 -7.581 2.016 8.655 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.564 1.676 10.802 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.601 1.744 11.963 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -8.931 2.491 13.099 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.380 1.061 11.905 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -8.042 2.557 14.177 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.488 1.128 12.984 1.00 0.00 C ATOM 1542 CZ TYR A 93 -6.821 1.876 14.122 1.00 0.00 C ATOM 1543 OH TYR A 93 -5.945 1.942 15.185 1.00 0.00 O ATOM 0 H TYR A 93 -10.054 2.426 7.961 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.554 3.806 10.536 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.589 1.615 11.168 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.381 0.775 10.216 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.873 3.017 13.144 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.126 0.483 11.029 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.298 3.134 15.053 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.545 0.604 12.939 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.146 1.412 14.984 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.241 3.970 9.616 1.00 0.00 N ATOM 1554 CA LEU A 94 -5.847 4.064 9.084 1.00 0.00 C ATOM 1555 C LEU A 94 -4.892 4.364 10.233 1.00 0.00 C ATOM 1556 O LEU A 94 -5.009 5.370 10.908 1.00 0.00 O ATOM 1557 CB LEU A 94 -5.763 5.182 8.039 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.308 5.373 7.583 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -3.736 4.044 7.075 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.270 6.408 6.457 1.00 0.00 C ATOM 0 H LEU A 94 -7.538 4.761 10.187 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.572 3.119 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.391 4.937 7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.145 6.112 8.459 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.708 5.717 8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.705 4.191 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.765 3.305 7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.331 3.690 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.241 6.550 6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.874 6.057 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.668 7.355 6.820 1.00 0.00 H new ATOM 1572 N HIS A 95 -3.943 3.495 10.453 1.00 0.00 N ATOM 1573 CA HIS A 95 -2.956 3.703 11.555 1.00 0.00 C ATOM 1574 C HIS A 95 -1.536 3.583 11.003 1.00 0.00 C ATOM 1575 O HIS A 95 -1.125 2.547 10.512 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.183 2.661 12.647 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.121 2.807 13.704 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.134 3.779 13.633 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -1.877 2.110 14.860 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.348 3.641 14.715 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -0.757 2.637 15.498 1.00 0.00 N ATOM 0 H HIS A 95 -3.807 2.641 9.912 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.088 4.698 11.979 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.171 2.790 13.088 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.152 1.658 12.221 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.464 1.279 15.221 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.508 4.264 14.926 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.339 2.324 16.374 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.784 4.644 11.097 1.00 0.00 N ATOM 1590 CA ASN A 96 0.622 4.635 10.601 1.00 0.00 C ATOM 1591 C ASN A 96 1.563 4.380 11.783 1.00 0.00 C ATOM 1592 O ASN A 96 1.398 4.931 12.855 1.00 0.00 O ATOM 1593 CB ASN A 96 0.937 5.994 9.964 1.00 0.00 C ATOM 1594 CG ASN A 96 0.191 6.121 8.633 1.00 0.00 C ATOM 1595 OD1 ASN A 96 -0.237 5.136 8.066 1.00 0.00 O ATOM 1596 ND2 ASN A 96 0.017 7.304 8.107 1.00 0.00 N ATOM 0 H ASN A 96 -1.088 5.529 11.502 1.00 0.00 H new ATOM 0 HA ASN A 96 0.755 3.850 9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.642 6.800 10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.010 6.091 9.802 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.478 7.400 7.220 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.376 8.132 8.583 1.00 0.00 H new ATOM 1603 N THR A 97 2.545 3.546 11.588 1.00 0.00 N ATOM 1604 CA THR A 97 3.506 3.230 12.689 1.00 0.00 C ATOM 1605 C THR A 97 3.957 4.518 13.375 1.00 0.00 C ATOM 1606 O THR A 97 4.498 4.503 14.463 1.00 0.00 O ATOM 1607 CB THR A 97 4.726 2.514 12.099 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.249 3.276 11.018 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.314 1.130 11.598 1.00 0.00 C ATOM 0 H THR A 97 2.727 3.064 10.708 1.00 0.00 H new ATOM 0 HA THR A 97 3.017 2.589 13.422 1.00 0.00 H new ATOM 0 HB THR A 97 5.490 2.407 12.869 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.030 2.818 10.643 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.182 0.622 11.179 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.917 0.546 12.428 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.548 1.234 10.829 1.00 0.00 H new ATOM 1617 N VAL A 98 3.737 5.637 12.743 1.00 0.00 N ATOM 1618 CA VAL A 98 4.150 6.940 13.347 1.00 0.00 C ATOM 1619 C VAL A 98 2.946 7.610 14.003 1.00 0.00 C ATOM 1620 O VAL A 98 2.785 7.574 15.205 1.00 0.00 O ATOM 1621 CB VAL A 98 4.697 7.847 12.249 1.00 0.00 C ATOM 1622 CG1 VAL A 98 5.097 9.199 12.844 1.00 0.00 C ATOM 1623 CG2 VAL A 98 5.922 7.187 11.614 1.00 0.00 C ATOM 0 H VAL A 98 3.287 5.708 11.830 1.00 0.00 H new ATOM 0 HA VAL A 98 4.918 6.764 14.101 1.00 0.00 H new ATOM 0 HB VAL A 98 3.929 8.003 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.487 9.843 12.055 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.225 9.669 13.298 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.865 9.050 13.603 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.316 7.832 10.829 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.687 7.032 12.375 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.637 6.226 11.186 1.00 0.00 H new ATOM 1633 N MET A 99 2.096 8.229 13.220 1.00 0.00 N ATOM 1634 CA MET A 99 0.897 8.907 13.803 1.00 0.00 C ATOM 1635 C MET A 99 -0.353 8.618 12.942 1.00 0.00 C ATOM 1636 O MET A 99 -0.416 9.022 11.797 1.00 0.00 O ATOM 1637 CB MET A 99 1.140 10.414 13.853 1.00 0.00 C ATOM 1638 CG MET A 99 1.469 10.956 12.463 1.00 0.00 C ATOM 1639 SD MET A 99 2.402 12.496 12.638 1.00 0.00 S ATOM 1640 CE MET A 99 3.020 12.570 10.943 1.00 0.00 C ATOM 0 H MET A 99 2.180 8.294 12.206 1.00 0.00 H new ATOM 0 HA MET A 99 0.730 8.525 14.810 1.00 0.00 H new ATOM 0 HB2 MET A 99 0.256 10.917 14.245 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.960 10.632 14.537 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.051 10.225 11.902 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.552 11.133 11.901 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.636 13.461 10.819 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.619 11.683 10.735 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.179 12.611 10.251 1.00 0.00 H new ATOM 1650 N PRO A 100 -1.345 7.938 13.474 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.593 7.631 12.715 1.00 0.00 C ATOM 1652 C PRO A 100 -3.209 8.891 12.093 1.00 0.00 C ATOM 1653 O PRO A 100 -3.255 9.942 12.702 1.00 0.00 O ATOM 1654 CB PRO A 100 -3.545 7.036 13.777 1.00 0.00 C ATOM 1655 CG PRO A 100 -2.665 6.555 14.890 1.00 0.00 C ATOM 1656 CD PRO A 100 -1.378 7.378 14.831 1.00 0.00 C ATOM 0 HA PRO A 100 -2.402 6.954 11.882 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.251 7.786 14.133 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.132 6.217 13.361 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.159 6.680 15.854 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.449 5.493 14.779 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.379 8.167 15.583 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.503 6.756 15.023 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.686 8.787 10.886 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.304 9.969 10.217 1.00 0.00 C ATOM 1666 C LEU A 101 -5.819 9.915 10.394 1.00 0.00 C ATOM 1667 O LEU A 101 -6.422 10.779 10.998 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.986 9.932 8.720 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.472 9.815 8.508 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -2.174 9.780 7.006 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.761 11.015 9.151 1.00 0.00 C ATOM 0 H LEU A 101 -3.676 7.932 10.330 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.907 10.882 10.660 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.493 9.088 8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.360 10.835 8.238 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.110 8.898 8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.098 9.697 6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.673 8.922 6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.538 10.696 6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.686 10.926 8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.118 11.938 8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.974 11.034 10.220 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.442 8.903 9.864 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.925 8.797 9.991 1.00 0.00 C ATOM 1685 C LEU A 102 -8.280 8.097 11.300 1.00 0.00 C ATOM 1686 O LEU A 102 -8.715 8.721 12.247 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.484 7.984 8.821 1.00 0.00 C ATOM 1688 CG LEU A 102 -10.036 8.104 8.765 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -10.496 8.246 7.313 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -10.681 6.851 9.380 1.00 0.00 C ATOM 0 H LEU A 102 -5.993 8.145 9.349 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.356 9.798 9.982 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.052 8.338 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.198 6.938 8.928 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.340 8.985 9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.582 8.329 7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.051 9.140 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.183 7.370 6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.766 6.942 9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.369 5.969 8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.366 6.752 10.419 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.098 6.798 11.345 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.415 6.012 12.577 1.00 0.00 C ATOM 1704 C ASP A 103 -9.654 6.587 13.270 1.00 0.00 C ATOM 1705 O ASP A 103 -9.564 7.250 14.285 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.217 6.034 13.527 1.00 0.00 C ATOM 1707 CG ASP A 103 -6.956 7.459 14.019 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -6.541 8.275 13.210 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.163 7.709 15.191 1.00 0.00 O ATOM 0 H ASP A 103 -7.738 6.243 10.568 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.625 4.980 12.295 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.406 5.377 14.376 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.333 5.650 13.018 1.00 0.00 H new ATOM 1714 N GLN A 104 -10.816 6.338 12.717 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.078 6.863 13.322 1.00 0.00 C ATOM 1716 C GLN A 104 -12.859 5.713 13.963 1.00 0.00 C ATOM 1717 O GLN A 104 -13.342 4.816 13.298 1.00 0.00 O ATOM 1718 CB GLN A 104 -12.923 7.529 12.229 1.00 0.00 C ATOM 1719 CG GLN A 104 -12.260 8.844 11.810 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.063 9.497 10.682 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -13.163 8.959 9.598 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -13.645 10.647 10.896 1.00 0.00 N ATOM 0 H GLN A 104 -10.944 5.790 11.867 1.00 0.00 H new ATOM 0 HA GLN A 104 -11.839 7.598 14.091 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.016 6.865 11.370 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -13.932 7.718 12.597 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -12.200 9.519 12.664 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -11.238 8.657 11.480 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.561 11.099 11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -14.183 11.092 10.153 1.00 0.00 H new ATOM 1731 N ARG A 105 -12.989 5.754 15.257 1.00 0.00 N ATOM 1732 CA ARG A 105 -13.744 4.693 15.984 1.00 0.00 C ATOM 1733 C ARG A 105 -15.237 4.832 15.676 1.00 0.00 C ATOM 1734 O ARG A 105 -15.949 3.858 15.531 1.00 0.00 O ATOM 1735 CB ARG A 105 -13.512 4.844 17.491 1.00 0.00 C ATOM 1736 CG ARG A 105 -14.239 3.723 18.239 1.00 0.00 C ATOM 1737 CD ARG A 105 -13.907 3.790 19.733 1.00 0.00 C ATOM 1738 NE ARG A 105 -12.475 3.430 19.939 1.00 0.00 N ATOM 1739 CZ ARG A 105 -11.929 3.523 21.123 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -12.632 3.928 22.146 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -10.674 3.206 21.284 1.00 0.00 N ATOM 0 H ARG A 105 -12.600 6.486 15.852 1.00 0.00 H new ATOM 0 HA ARG A 105 -13.398 3.711 15.662 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.445 4.808 17.710 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -13.874 5.815 17.829 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -15.315 3.815 18.093 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.944 2.754 17.835 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.100 4.792 20.115 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.549 3.108 20.290 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.916 3.108 19.149 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.614 4.174 22.024 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.199 3.998 23.067 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.122 2.887 20.488 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.244 3.277 22.206 1.00 0.00 H new ATOM 1755 N TYR A 106 -15.718 6.042 15.584 1.00 0.00 N ATOM 1756 CA TYR A 106 -17.169 6.248 15.299 1.00 0.00 C ATOM 1757 C TYR A 106 -17.526 5.527 13.998 1.00 0.00 C ATOM 1758 O TYR A 106 -18.528 4.843 13.899 1.00 0.00 O ATOM 1759 CB TYR A 106 -17.451 7.747 15.121 1.00 0.00 C ATOM 1760 CG TYR A 106 -16.943 8.516 16.319 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -17.732 8.626 17.468 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -15.677 9.117 16.278 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -17.258 9.337 18.578 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -15.203 9.830 17.388 1.00 0.00 C ATOM 1765 CZ TYR A 106 -15.994 9.937 18.538 1.00 0.00 C ATOM 1766 OH TYR A 106 -15.527 10.637 19.633 1.00 0.00 O ATOM 0 H TYR A 106 -15.171 6.896 15.693 1.00 0.00 H new ATOM 0 HA TYR A 106 -17.761 5.857 16.126 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.968 8.111 14.214 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.522 7.912 15.000 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -18.707 8.163 17.500 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -15.067 9.031 15.391 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -17.868 9.422 19.465 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -14.229 10.296 17.356 1.00 0.00 H new ATOM 0 HH TYR A 106 -14.633 10.989 19.439 1.00 0.00 H new ATOM 1776 N LEU A 107 -16.712 5.681 13.000 1.00 0.00 N ATOM 1777 CA LEU A 107 -16.995 5.020 11.698 1.00 0.00 C ATOM 1778 C LEU A 107 -16.975 3.498 11.894 1.00 0.00 C ATOM 1779 O LEU A 107 -17.785 2.770 11.355 1.00 0.00 O ATOM 1780 CB LEU A 107 -15.905 5.431 10.686 1.00 0.00 C ATOM 1781 CG LEU A 107 -16.472 5.436 9.254 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -17.114 4.077 8.944 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -17.521 6.570 9.104 1.00 0.00 C ATOM 0 H LEU A 107 -15.858 6.238 13.027 1.00 0.00 H new ATOM 0 HA LEU A 107 -17.973 5.322 11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -15.523 6.421 10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.064 4.740 10.748 1.00 0.00 H new ATOM 0 HG LEU A 107 -15.660 5.613 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.513 4.086 7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -16.363 3.292 9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.922 3.887 9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.917 6.567 8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -18.334 6.409 9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.049 7.531 9.306 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.027 3.017 12.640 1.00 0.00 N ATOM 1796 CA LEU A 108 -15.918 1.545 12.848 1.00 0.00 C ATOM 1797 C LEU A 108 -17.161 1.023 13.580 1.00 0.00 C ATOM 1798 O LEU A 108 -17.711 -0.009 13.250 1.00 0.00 O ATOM 1799 CB LEU A 108 -14.656 1.252 13.683 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.078 -0.123 13.306 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -15.158 -1.201 13.476 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -13.576 -0.096 11.836 1.00 0.00 C ATOM 0 H LEU A 108 -15.320 3.577 13.117 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.847 1.043 11.883 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -13.910 2.028 13.512 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.900 1.273 14.745 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.239 -0.355 13.962 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -14.746 -2.174 13.208 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -15.492 -1.221 14.513 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -16.004 -0.974 12.827 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.167 -1.072 11.573 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.407 0.140 11.172 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.800 0.663 11.730 1.00 0.00 H new