USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 NoAdj-H: A 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0862 (180deg=-0.581) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.118 (180deg=-0.186) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 163:sc= 0.412 USER MOD Single : A 7 THR OG1 : rot -80:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 14 TYR OH : rot 166:sc= 0.274 USER MOD Single : A 16 THR OG1 : rot 71:sc= 1.04 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 80:sc= 1.19 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= 1.1 (180deg=0.378) USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= -0.0479 (180deg=-0.45) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 42 THR OG1 : rot 83:sc= 1.04 USER MOD Single : A 43 THR OG1 : rot -34:sc= 0.101 USER MOD Single : A 44 MET CE :methyl 177:sc= 0 (180deg=-0.00399) USER MOD Single : A 46 TYR OH : rot 6:sc= -1.36! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0378) USER MOD Single : A 54 MET CE :methyl -140:sc= -0.739 (180deg=-2.04!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.0584 K(o=0.058,f=-1.4) USER MOD Single : A 70 HIS : no HD1:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 71 GLN : amide:sc= -1.68 X(o=-1.7,f=-2) USER MOD Single : A 74 HIS :FLIP no HE2:sc= -0.123 F(o=-0.84,f=-0.12) USER MOD Single : A 83 THR OG1 : rot 85:sc= 0.57 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 144:sc= -0.908 (180deg=-2.79!) USER MOD Single : A 92 ASN : amide:sc= 0.0858 K(o=0.086,f=-1.7) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.00432 X(o=0.0043,f=0) USER MOD Single : A 96 ASN : amide:sc= -1.08 K(o=-1.1,f=-3!) USER MOD Single : A 99 HIS : no HE2:sc= 0.00231 K(o=0.0023,f=-4.2!) USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= -0.0256 (180deg=-0.246) USER MOD Single : A 109 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.9) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0.75 K(o=0.75,f=0) USER MOD Single : A 112 ASN : amide:sc= 1.07 K(o=1.1,f=-0.57) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -150:sc= -1.82 USER MOD Single : A 121 LYS NZ :NH3+ 164:sc= -0.0833 (180deg=-0.485) USER MOD Single : A 122 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.532) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.150 13.396 -17.060 1.00 0.00 N ATOM 2 CA MET A 1 13.030 12.276 -16.654 1.00 0.00 C ATOM 3 C MET A 1 13.270 12.281 -15.148 1.00 0.00 C ATOM 4 O MET A 1 13.924 11.381 -14.614 1.00 0.00 O ATOM 5 CB MET A 1 14.375 12.360 -17.382 1.00 0.00 C ATOM 6 CG MET A 1 14.268 12.170 -18.886 1.00 0.00 C ATOM 7 SD MET A 1 13.580 10.564 -19.338 1.00 0.00 S ATOM 8 CE MET A 1 14.809 9.461 -18.642 1.00 0.00 C ATOM 0 H1 MET A 1 11.908 13.300 -18.067 1.00 0.00 H new ATOM 0 H2 MET A 1 11.279 13.377 -16.491 1.00 0.00 H new ATOM 0 H3 MET A 1 12.644 14.298 -16.907 1.00 0.00 H new ATOM 0 HA MET A 1 12.527 11.348 -16.925 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.828 13.330 -17.179 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.046 11.603 -16.976 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.643 12.959 -19.304 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.257 12.276 -19.333 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.723 8.480 -19.109 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.805 9.864 -18.825 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.647 9.367 -17.568 1.00 0.00 H new ATOM 20 N GLU A 2 12.736 13.286 -14.461 1.00 0.00 N ATOM 21 CA GLU A 2 12.946 13.419 -13.029 1.00 0.00 C ATOM 22 C GLU A 2 11.938 12.585 -12.252 1.00 0.00 C ATOM 23 O GLU A 2 10.743 12.898 -12.212 1.00 0.00 O ATOM 24 CB GLU A 2 12.861 14.886 -12.612 1.00 0.00 C ATOM 25 CG GLU A 2 13.021 15.113 -11.118 1.00 0.00 C ATOM 26 CD GLU A 2 13.081 16.581 -10.759 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.016 17.224 -10.682 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.199 17.100 -10.559 1.00 0.00 O ATOM 0 H GLU A 2 12.157 14.017 -14.874 1.00 0.00 H new ATOM 0 HA GLU A 2 13.944 13.048 -12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.632 15.448 -13.139 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.899 15.288 -12.930 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.188 14.647 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.931 14.621 -10.774 1.00 0.00 H new ATOM 35 N PHE A 3 12.431 11.518 -11.646 1.00 0.00 N ATOM 36 CA PHE A 3 11.603 10.670 -10.810 1.00 0.00 C ATOM 37 C PHE A 3 11.225 11.415 -9.543 1.00 0.00 C ATOM 38 O PHE A 3 12.072 11.714 -8.698 1.00 0.00 O ATOM 39 CB PHE A 3 12.333 9.368 -10.469 1.00 0.00 C ATOM 40 CG PHE A 3 11.534 8.428 -9.607 1.00 0.00 C ATOM 41 CD1 PHE A 3 11.619 8.491 -8.226 1.00 0.00 C ATOM 42 CD2 PHE A 3 10.705 7.481 -10.181 1.00 0.00 C ATOM 43 CE1 PHE A 3 10.890 7.628 -7.433 1.00 0.00 C ATOM 44 CE2 PHE A 3 9.973 6.613 -9.393 1.00 0.00 C ATOM 45 CZ PHE A 3 10.066 6.687 -8.017 1.00 0.00 C ATOM 0 H PHE A 3 13.404 11.219 -11.719 1.00 0.00 H new ATOM 0 HA PHE A 3 10.695 10.414 -11.357 1.00 0.00 H new ATOM 0 HB2 PHE A 3 12.599 8.859 -11.395 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.266 9.609 -9.959 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.263 9.224 -7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 3 10.629 7.419 -11.257 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.964 7.689 -6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 3 9.329 5.878 -9.853 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.495 6.010 -7.399 1.00 0.00 H new ATOM 55 N THR A 4 9.955 11.736 -9.426 1.00 0.00 N ATOM 56 CA THR A 4 9.463 12.445 -8.267 1.00 0.00 C ATOM 57 C THR A 4 8.764 11.484 -7.323 1.00 0.00 C ATOM 58 O THR A 4 7.778 10.838 -7.687 1.00 0.00 O ATOM 59 CB THR A 4 8.499 13.569 -8.666 1.00 0.00 C ATOM 60 OG1 THR A 4 8.612 13.834 -10.073 1.00 0.00 O ATOM 61 CG2 THR A 4 8.817 14.831 -7.888 1.00 0.00 C ATOM 0 H THR A 4 9.243 11.516 -10.122 1.00 0.00 H new ATOM 0 HA THR A 4 10.320 12.892 -7.763 1.00 0.00 H new ATOM 0 HB THR A 4 7.481 13.254 -8.437 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.993 14.552 -10.321 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.126 15.622 -8.180 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.715 14.636 -6.820 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.839 15.144 -8.104 1.00 0.00 H new ATOM 69 N VAL A 5 9.296 11.376 -6.118 1.00 0.00 N ATOM 70 CA VAL A 5 8.720 10.498 -5.113 1.00 0.00 C ATOM 71 C VAL A 5 7.392 11.079 -4.645 1.00 0.00 C ATOM 72 O VAL A 5 7.229 12.299 -4.556 1.00 0.00 O ATOM 73 CB VAL A 5 9.667 10.275 -3.896 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.123 10.288 -4.336 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.431 11.284 -2.781 1.00 0.00 C ATOM 0 H VAL A 5 10.125 11.885 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 5 8.567 9.522 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 5 9.432 9.292 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.766 10.131 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.291 9.493 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.357 11.250 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.117 11.084 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.603 12.292 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.404 11.200 -2.426 1.00 0.00 H new ATOM 85 N SER A 6 6.439 10.205 -4.389 1.00 0.00 N ATOM 86 CA SER A 6 5.111 10.620 -3.988 1.00 0.00 C ATOM 87 C SER A 6 5.093 11.065 -2.527 1.00 0.00 C ATOM 88 O SER A 6 5.122 10.238 -1.614 1.00 0.00 O ATOM 89 CB SER A 6 4.129 9.475 -4.227 1.00 0.00 C ATOM 90 OG SER A 6 4.681 8.236 -3.809 1.00 0.00 O ATOM 0 H SER A 6 6.562 9.194 -4.453 1.00 0.00 H new ATOM 0 HA SER A 6 4.809 11.477 -4.590 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.203 9.666 -3.685 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.874 9.425 -5.286 1.00 0.00 H new ATOM 0 HG SER A 6 3.965 7.574 -3.714 1.00 0.00 H new ATOM 96 N THR A 7 5.079 12.374 -2.313 1.00 0.00 N ATOM 97 CA THR A 7 5.008 12.921 -0.968 1.00 0.00 C ATOM 98 C THR A 7 3.585 12.835 -0.429 1.00 0.00 C ATOM 99 O THR A 7 2.680 12.364 -1.125 1.00 0.00 O ATOM 100 CB THR A 7 5.468 14.392 -0.927 1.00 0.00 C ATOM 101 OG1 THR A 7 4.590 15.206 -1.721 1.00 0.00 O ATOM 102 CG2 THR A 7 6.894 14.527 -1.439 1.00 0.00 C ATOM 0 H THR A 7 5.116 13.074 -3.054 1.00 0.00 H new ATOM 0 HA THR A 7 5.677 12.326 -0.346 1.00 0.00 H new ATOM 0 HB THR A 7 5.436 14.730 0.109 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.826 15.115 -2.668 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.197 15.573 -1.401 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.562 13.933 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.946 14.172 -2.468 1.00 0.00 H new ATOM 110 N THR A 8 3.386 13.292 0.799 1.00 0.00 N ATOM 111 CA THR A 8 2.068 13.314 1.407 1.00 0.00 C ATOM 112 C THR A 8 1.073 14.067 0.519 1.00 0.00 C ATOM 113 O THR A 8 -0.060 13.621 0.318 1.00 0.00 O ATOM 114 CB THR A 8 2.131 13.976 2.795 1.00 0.00 C ATOM 115 OG1 THR A 8 3.279 13.495 3.513 1.00 0.00 O ATOM 116 CG2 THR A 8 0.874 13.678 3.592 1.00 0.00 C ATOM 0 H THR A 8 4.129 13.655 1.396 1.00 0.00 H new ATOM 0 HA THR A 8 1.728 12.284 1.517 1.00 0.00 H new ATOM 0 HB THR A 8 2.210 15.054 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.315 13.921 4.395 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.941 14.156 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.005 14.063 3.058 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.772 12.601 3.721 1.00 0.00 H new ATOM 124 N GLU A 9 1.522 15.184 -0.044 1.00 0.00 N ATOM 125 CA GLU A 9 0.675 16.013 -0.889 1.00 0.00 C ATOM 126 C GLU A 9 0.303 15.290 -2.179 1.00 0.00 C ATOM 127 O GLU A 9 -0.851 15.333 -2.613 1.00 0.00 O ATOM 128 CB GLU A 9 1.373 17.329 -1.216 1.00 0.00 C ATOM 129 CG GLU A 9 1.708 18.151 0.012 1.00 0.00 C ATOM 130 CD GLU A 9 2.243 19.522 -0.335 1.00 0.00 C ATOM 131 OE1 GLU A 9 3.479 19.706 -0.325 1.00 0.00 O ATOM 132 OE2 GLU A 9 1.427 20.422 -0.614 1.00 0.00 O ATOM 0 H GLU A 9 2.472 15.536 0.071 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.241 16.221 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.291 17.119 -1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.734 17.917 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.815 18.259 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.446 17.618 0.611 1.00 0.00 H new ATOM 139 N ASP A 10 1.280 14.624 -2.789 1.00 0.00 N ATOM 140 CA ASP A 10 1.033 13.861 -4.010 1.00 0.00 C ATOM 141 C ASP A 10 0.073 12.730 -3.721 1.00 0.00 C ATOM 142 O ASP A 10 -0.845 12.465 -4.497 1.00 0.00 O ATOM 143 CB ASP A 10 2.320 13.275 -4.597 1.00 0.00 C ATOM 144 CG ASP A 10 3.355 14.325 -4.918 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.327 14.462 -4.148 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.200 15.021 -5.945 1.00 0.00 O ATOM 0 H ASP A 10 2.245 14.597 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 10 0.609 14.551 -4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.743 12.561 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.079 12.721 -5.504 1.00 0.00 H new ATOM 151 N LEU A 11 0.283 12.079 -2.584 1.00 0.00 N ATOM 152 CA LEU A 11 -0.535 10.954 -2.187 1.00 0.00 C ATOM 153 C LEU A 11 -2.000 11.360 -2.087 1.00 0.00 C ATOM 154 O LEU A 11 -2.867 10.684 -2.635 1.00 0.00 O ATOM 155 CB LEU A 11 -0.037 10.367 -0.863 1.00 0.00 C ATOM 156 CG LEU A 11 -0.885 9.230 -0.309 1.00 0.00 C ATOM 157 CD1 LEU A 11 -0.843 8.036 -1.250 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.406 8.845 1.081 1.00 0.00 C ATOM 0 H LEU A 11 1.020 12.318 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.452 10.182 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.982 10.007 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.005 11.165 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.919 9.565 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.453 7.230 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.232 8.328 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.186 7.693 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.021 8.031 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.634 8.522 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.487 9.706 1.745 1.00 0.00 H new ATOM 170 N GLN A 12 -2.265 12.500 -1.449 1.00 0.00 N ATOM 171 CA GLN A 12 -3.636 12.956 -1.231 1.00 0.00 C ATOM 172 C GLN A 12 -4.338 13.214 -2.563 1.00 0.00 C ATOM 173 O GLN A 12 -5.551 13.032 -2.691 1.00 0.00 O ATOM 174 CB GLN A 12 -3.656 14.222 -0.373 1.00 0.00 C ATOM 175 CG GLN A 12 -3.186 14.016 1.060 1.00 0.00 C ATOM 176 CD GLN A 12 -3.325 15.266 1.904 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.227 16.386 1.402 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.561 15.083 3.191 1.00 0.00 N ATOM 0 H GLN A 12 -1.549 13.123 -1.075 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.172 12.168 -0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.026 14.976 -0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.671 14.619 -0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.761 13.209 1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.143 13.700 1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.635 14.138 3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.669 15.887 3.809 1.00 0.00 H new ATOM 187 N ARG A 13 -3.557 13.619 -3.552 1.00 0.00 N ATOM 188 CA ARG A 13 -4.070 13.863 -4.889 1.00 0.00 C ATOM 189 C ARG A 13 -4.587 12.567 -5.508 1.00 0.00 C ATOM 190 O ARG A 13 -5.713 12.508 -6.005 1.00 0.00 O ATOM 191 CB ARG A 13 -2.973 14.467 -5.764 1.00 0.00 C ATOM 192 CG ARG A 13 -3.410 14.751 -7.191 1.00 0.00 C ATOM 193 CD ARG A 13 -2.331 15.488 -7.966 1.00 0.00 C ATOM 194 NE ARG A 13 -1.078 14.734 -8.022 1.00 0.00 N ATOM 195 CZ ARG A 13 0.067 15.137 -7.464 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.120 16.276 -6.782 1.00 0.00 N ATOM 197 NH2 ARG A 13 1.163 14.397 -7.585 1.00 0.00 N ATOM 0 H ARG A 13 -2.556 13.787 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.900 14.567 -4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.628 15.395 -5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.122 13.786 -5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.645 13.813 -7.694 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.324 15.346 -7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.682 15.682 -8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.150 16.457 -7.501 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.079 13.843 -8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.717 16.850 -6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.998 16.577 -6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.131 13.520 -8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.037 14.706 -7.158 1.00 0.00 H new ATOM 211 N TYR A 14 -3.768 11.522 -5.442 1.00 0.00 N ATOM 212 CA TYR A 14 -4.113 10.241 -6.048 1.00 0.00 C ATOM 213 C TYR A 14 -5.312 9.608 -5.349 1.00 0.00 C ATOM 214 O TYR A 14 -6.156 8.987 -5.998 1.00 0.00 O ATOM 215 CB TYR A 14 -2.920 9.276 -6.020 1.00 0.00 C ATOM 216 CG TYR A 14 -1.648 9.868 -6.595 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.437 9.761 -5.924 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.665 10.545 -7.808 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.719 10.314 -6.445 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.513 11.095 -8.334 1.00 0.00 C ATOM 221 CZ TYR A 14 0.674 10.977 -7.651 1.00 0.00 C ATOM 222 OH TYR A 14 1.819 11.536 -8.173 1.00 0.00 O ATOM 0 H TYR A 14 -2.861 11.537 -4.975 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.379 10.434 -7.087 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.735 8.969 -4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.178 8.376 -6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.397 9.238 -4.980 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.595 10.643 -8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.652 10.226 -5.909 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.544 11.616 -9.279 1.00 0.00 H new ATOM 0 HH TYR A 14 1.674 11.759 -9.116 1.00 0.00 H new ATOM 232 N ARG A 15 -5.398 9.782 -4.030 1.00 0.00 N ATOM 233 CA ARG A 15 -6.500 9.211 -3.262 1.00 0.00 C ATOM 234 C ARG A 15 -7.818 9.841 -3.676 1.00 0.00 C ATOM 235 O ARG A 15 -8.838 9.166 -3.725 1.00 0.00 O ATOM 236 CB ARG A 15 -6.313 9.393 -1.751 1.00 0.00 C ATOM 237 CG ARG A 15 -4.891 9.205 -1.256 1.00 0.00 C ATOM 238 CD ARG A 15 -4.830 9.194 0.266 1.00 0.00 C ATOM 239 NE ARG A 15 -5.465 10.365 0.867 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.729 10.469 2.169 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.499 9.441 2.981 1.00 0.00 N ATOM 242 NH2 ARG A 15 -6.262 11.586 2.650 1.00 0.00 N ATOM 0 H ARG A 15 -4.723 10.310 -3.477 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.510 8.143 -3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.649 10.393 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.960 8.686 -1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.489 8.269 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.261 10.007 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.316 8.292 0.638 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.788 9.149 0.583 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.719 11.143 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.120 8.571 2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.702 9.523 3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.469 12.363 2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.464 11.667 3.646 1.00 0.00 H new ATOM 256 N THR A 16 -7.785 11.125 -4.002 1.00 0.00 N ATOM 257 CA THR A 16 -8.986 11.845 -4.381 1.00 0.00 C ATOM 258 C THR A 16 -9.561 11.290 -5.682 1.00 0.00 C ATOM 259 O THR A 16 -10.770 11.069 -5.795 1.00 0.00 O ATOM 260 CB THR A 16 -8.687 13.345 -4.533 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.166 13.864 -3.299 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.936 14.120 -4.925 1.00 0.00 C ATOM 0 H THR A 16 -6.935 11.689 -4.011 1.00 0.00 H new ATOM 0 HA THR A 16 -9.725 11.712 -3.591 1.00 0.00 H new ATOM 0 HB THR A 16 -7.948 13.464 -5.325 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.262 13.515 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.692 15.178 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.314 13.744 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.698 13.995 -4.156 1.00 0.00 H new ATOM 270 N GLU A 17 -8.685 11.046 -6.652 1.00 0.00 N ATOM 271 CA GLU A 17 -9.103 10.460 -7.921 1.00 0.00 C ATOM 272 C GLU A 17 -9.685 9.065 -7.708 1.00 0.00 C ATOM 273 O GLU A 17 -10.742 8.734 -8.251 1.00 0.00 O ATOM 274 CB GLU A 17 -7.939 10.407 -8.912 1.00 0.00 C ATOM 275 CG GLU A 17 -7.982 11.487 -9.979 1.00 0.00 C ATOM 276 CD GLU A 17 -7.835 12.885 -9.412 1.00 0.00 C ATOM 277 OE1 GLU A 17 -6.700 13.410 -9.411 1.00 0.00 O ATOM 278 OE2 GLU A 17 -8.850 13.467 -8.976 1.00 0.00 O ATOM 0 H GLU A 17 -7.687 11.244 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.880 11.098 -8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.003 10.493 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.934 9.431 -9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.186 11.308 -10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.925 11.418 -10.521 1.00 0.00 H new ATOM 285 N CYS A 18 -9.005 8.258 -6.898 1.00 0.00 N ATOM 286 CA CYS A 18 -9.473 6.910 -6.591 1.00 0.00 C ATOM 287 C CYS A 18 -10.798 6.953 -5.840 1.00 0.00 C ATOM 288 O CYS A 18 -11.659 6.094 -6.034 1.00 0.00 O ATOM 289 CB CYS A 18 -8.429 6.144 -5.778 1.00 0.00 C ATOM 290 SG CYS A 18 -6.881 5.826 -6.684 1.00 0.00 S ATOM 0 H CYS A 18 -8.129 8.514 -6.443 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.628 6.387 -7.535 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.201 6.708 -4.874 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.856 5.192 -5.461 1.00 0.00 H new ATOM 295 N VAL A 19 -10.968 7.973 -5.008 1.00 0.00 N ATOM 296 CA VAL A 19 -12.191 8.144 -4.248 1.00 0.00 C ATOM 297 C VAL A 19 -13.365 8.401 -5.180 1.00 0.00 C ATOM 298 O VAL A 19 -14.389 7.721 -5.109 1.00 0.00 O ATOM 299 CB VAL A 19 -12.067 9.287 -3.213 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.432 9.837 -2.838 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.345 8.788 -1.972 1.00 0.00 C ATOM 0 H VAL A 19 -10.267 8.696 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.369 7.219 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.490 10.094 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.314 10.639 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.925 10.226 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.039 9.041 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.262 9.599 -1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.906 7.964 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.348 8.442 -2.245 1.00 0.00 H new ATOM 311 N SER A 20 -13.198 9.369 -6.064 1.00 0.00 N ATOM 312 CA SER A 20 -14.242 9.734 -7.005 1.00 0.00 C ATOM 313 C SER A 20 -14.553 8.586 -7.969 1.00 0.00 C ATOM 314 O SER A 20 -15.716 8.315 -8.266 1.00 0.00 O ATOM 315 CB SER A 20 -13.817 10.983 -7.773 1.00 0.00 C ATOM 316 OG SER A 20 -14.862 11.466 -8.598 1.00 0.00 O ATOM 0 H SER A 20 -12.344 9.919 -6.150 1.00 0.00 H new ATOM 0 HA SER A 20 -15.155 9.944 -6.448 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.519 11.760 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.944 10.756 -8.385 1.00 0.00 H new ATOM 0 HG SER A 20 -14.559 12.267 -9.075 1.00 0.00 H new ATOM 322 N SER A 21 -13.512 7.892 -8.424 1.00 0.00 N ATOM 323 CA SER A 21 -13.668 6.842 -9.423 1.00 0.00 C ATOM 324 C SER A 21 -14.353 5.608 -8.841 1.00 0.00 C ATOM 325 O SER A 21 -15.252 5.039 -9.460 1.00 0.00 O ATOM 326 CB SER A 21 -12.297 6.463 -9.976 1.00 0.00 C ATOM 327 OG SER A 21 -11.649 7.589 -10.547 1.00 0.00 O ATOM 0 H SER A 21 -12.551 8.040 -8.115 1.00 0.00 H new ATOM 0 HA SER A 21 -14.301 7.224 -10.224 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.680 6.051 -9.177 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.408 5.682 -10.729 1.00 0.00 H new ATOM 0 HG SER A 21 -11.252 8.134 -9.835 1.00 0.00 H new ATOM 333 N LEU A 22 -13.929 5.199 -7.651 1.00 0.00 N ATOM 334 CA LEU A 22 -14.449 3.986 -7.035 1.00 0.00 C ATOM 335 C LEU A 22 -15.674 4.268 -6.167 1.00 0.00 C ATOM 336 O LEU A 22 -16.137 3.391 -5.435 1.00 0.00 O ATOM 337 CB LEU A 22 -13.351 3.320 -6.205 1.00 0.00 C ATOM 338 CG LEU A 22 -12.187 2.770 -7.022 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.027 2.406 -6.114 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.633 1.557 -7.817 1.00 0.00 C ATOM 0 H LEU A 22 -13.228 5.689 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.765 3.312 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.965 4.045 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.791 2.506 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.854 3.542 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.205 2.015 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.694 3.293 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.348 1.648 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.793 1.173 -8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.986 0.784 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.440 1.841 -8.492 1.00 0.00 H new ATOM 352 N ASN A 23 -16.194 5.497 -6.266 1.00 0.00 N ATOM 353 CA ASN A 23 -17.372 5.926 -5.500 1.00 0.00 C ATOM 354 C ASN A 23 -17.196 5.686 -4.004 1.00 0.00 C ATOM 355 O ASN A 23 -18.131 5.276 -3.316 1.00 0.00 O ATOM 356 CB ASN A 23 -18.633 5.220 -5.996 1.00 0.00 C ATOM 357 CG ASN A 23 -19.081 5.711 -7.358 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.673 5.177 -8.391 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.920 6.731 -7.370 1.00 0.00 N ATOM 0 H ASN A 23 -15.813 6.220 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.480 6.999 -5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.449 4.147 -6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.437 5.373 -5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -20.255 7.106 -8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.233 7.144 -6.492 1.00 0.00 H new ATOM 366 N ILE A 24 -15.992 5.942 -3.509 1.00 0.00 N ATOM 367 CA ILE A 24 -15.685 5.773 -2.098 1.00 0.00 C ATOM 368 C ILE A 24 -16.466 6.781 -1.250 1.00 0.00 C ATOM 369 O ILE A 24 -16.300 7.992 -1.402 1.00 0.00 O ATOM 370 CB ILE A 24 -14.174 5.947 -1.836 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.349 5.080 -2.803 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.848 5.597 -0.391 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.580 3.590 -2.659 1.00 0.00 C ATOM 0 H ILE A 24 -15.207 6.270 -4.071 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.979 4.762 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.911 6.990 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.583 5.375 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.291 5.288 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.779 5.724 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.404 6.255 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.127 4.562 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.960 3.055 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.317 3.277 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.630 3.365 -2.847 1.00 0.00 H new ATOM 385 N PRO A 25 -17.335 6.282 -0.354 1.00 0.00 N ATOM 386 CA PRO A 25 -18.147 7.124 0.532 1.00 0.00 C ATOM 387 C PRO A 25 -17.290 7.972 1.465 1.00 0.00 C ATOM 388 O PRO A 25 -16.203 7.563 1.884 1.00 0.00 O ATOM 389 CB PRO A 25 -18.973 6.122 1.342 1.00 0.00 C ATOM 390 CG PRO A 25 -18.899 4.840 0.598 1.00 0.00 C ATOM 391 CD PRO A 25 -17.590 4.852 -0.138 1.00 0.00 C ATOM 0 HA PRO A 25 -18.753 7.832 -0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.575 6.012 2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.005 6.457 1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.953 3.991 1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.734 4.745 -0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.796 4.386 0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.654 4.308 -1.081 1.00 0.00 H new ATOM 399 N ALA A 26 -17.809 9.158 1.783 1.00 0.00 N ATOM 400 CA ALA A 26 -17.121 10.129 2.631 1.00 0.00 C ATOM 401 C ALA A 26 -16.740 9.537 3.981 1.00 0.00 C ATOM 402 O ALA A 26 -15.803 10.007 4.626 1.00 0.00 O ATOM 403 CB ALA A 26 -18.004 11.346 2.837 1.00 0.00 C ATOM 0 H ALA A 26 -18.723 9.473 1.458 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.200 10.417 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.487 12.068 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.225 11.802 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.935 11.043 3.317 1.00 0.00 H new ATOM 409 N ASP A 27 -17.498 8.538 4.415 1.00 0.00 N ATOM 410 CA ASP A 27 -17.184 7.798 5.635 1.00 0.00 C ATOM 411 C ASP A 27 -15.776 7.222 5.570 1.00 0.00 C ATOM 412 O ASP A 27 -14.932 7.517 6.415 1.00 0.00 O ATOM 413 CB ASP A 27 -18.189 6.668 5.845 1.00 0.00 C ATOM 414 CG ASP A 27 -17.881 5.831 7.072 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.318 4.730 6.919 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.203 6.277 8.197 1.00 0.00 O ATOM 0 H ASP A 27 -18.341 8.218 3.938 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.242 8.492 6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.189 7.090 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.196 6.026 4.964 1.00 0.00 H new ATOM 421 N TYR A 28 -15.525 6.415 4.545 1.00 0.00 N ATOM 422 CA TYR A 28 -14.230 5.785 4.364 1.00 0.00 C ATOM 423 C TYR A 28 -13.131 6.816 4.139 1.00 0.00 C ATOM 424 O TYR A 28 -12.036 6.677 4.671 1.00 0.00 O ATOM 425 CB TYR A 28 -14.293 4.788 3.211 1.00 0.00 C ATOM 426 CG TYR A 28 -15.001 3.510 3.595 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.387 3.427 3.564 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.286 2.391 4.005 1.00 0.00 C ATOM 429 CE1 TYR A 28 -17.038 2.268 3.931 1.00 0.00 C ATOM 430 CE2 TYR A 28 -14.932 1.227 4.370 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.308 1.172 4.333 1.00 0.00 C ATOM 432 OH TYR A 28 -16.953 0.017 4.703 1.00 0.00 O ATOM 0 H TYR A 28 -16.209 6.183 3.825 1.00 0.00 H new ATOM 0 HA TYR A 28 -13.981 5.248 5.279 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.807 5.246 2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.281 4.555 2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -16.964 4.283 3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.207 2.433 4.039 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.117 2.220 3.903 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.362 0.365 4.683 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.292 -0.660 4.958 1.00 0.00 H new ATOM 442 N VAL A 29 -13.434 7.857 3.367 1.00 0.00 N ATOM 443 CA VAL A 29 -12.471 8.922 3.107 1.00 0.00 C ATOM 444 C VAL A 29 -12.025 9.578 4.414 1.00 0.00 C ATOM 445 O VAL A 29 -10.843 9.854 4.619 1.00 0.00 O ATOM 446 CB VAL A 29 -13.060 9.998 2.182 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.009 11.039 1.841 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.620 9.364 0.924 1.00 0.00 C ATOM 0 H VAL A 29 -14.338 7.985 2.912 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.612 8.466 2.615 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.876 10.498 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.443 11.793 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.657 11.514 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.171 10.558 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.034 10.139 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.824 8.839 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.406 8.657 1.191 1.00 0.00 H new ATOM 458 N GLU A 30 -12.988 9.802 5.302 1.00 0.00 N ATOM 459 CA GLU A 30 -12.720 10.393 6.607 1.00 0.00 C ATOM 460 C GLU A 30 -11.861 9.451 7.457 1.00 0.00 C ATOM 461 O GLU A 30 -11.023 9.893 8.247 1.00 0.00 O ATOM 462 CB GLU A 30 -14.055 10.731 7.282 1.00 0.00 C ATOM 463 CG GLU A 30 -14.146 10.367 8.749 1.00 0.00 C ATOM 464 CD GLU A 30 -15.510 10.672 9.328 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.675 11.748 9.938 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.430 9.840 9.168 1.00 0.00 O ATOM 0 H GLU A 30 -13.970 9.580 5.138 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.151 11.315 6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.236 11.801 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.854 10.219 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.929 9.306 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.386 10.915 9.306 1.00 0.00 H new ATOM 473 N LYS A 31 -12.066 8.152 7.273 1.00 0.00 N ATOM 474 CA LYS A 31 -11.245 7.142 7.936 1.00 0.00 C ATOM 475 C LYS A 31 -9.800 7.197 7.447 1.00 0.00 C ATOM 476 O LYS A 31 -8.867 7.110 8.237 1.00 0.00 O ATOM 477 CB LYS A 31 -11.790 5.737 7.703 1.00 0.00 C ATOM 478 CG LYS A 31 -13.161 5.509 8.305 1.00 0.00 C ATOM 479 CD LYS A 31 -13.567 4.050 8.212 1.00 0.00 C ATOM 480 CE LYS A 31 -14.949 3.822 8.804 1.00 0.00 C ATOM 481 NZ LYS A 31 -14.976 4.116 10.260 1.00 0.00 N ATOM 0 H LYS A 31 -12.795 7.771 6.669 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.276 7.365 9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.838 5.548 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.093 5.012 8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.159 5.823 9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.895 6.127 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.559 3.734 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.838 3.433 8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.674 4.454 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.252 2.789 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.700 3.527 10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.045 3.906 10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.202 5.120 10.407 1.00 0.00 H new ATOM 495 N PHE A 32 -9.618 7.345 6.143 1.00 0.00 N ATOM 496 CA PHE A 32 -8.282 7.378 5.553 1.00 0.00 C ATOM 497 C PHE A 32 -7.540 8.653 5.956 1.00 0.00 C ATOM 498 O PHE A 32 -6.335 8.781 5.750 1.00 0.00 O ATOM 499 CB PHE A 32 -8.366 7.261 4.027 1.00 0.00 C ATOM 500 CG PHE A 32 -9.197 6.094 3.560 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.987 6.198 2.427 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.197 4.897 4.263 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.760 5.132 2.003 1.00 0.00 C ATOM 504 CE2 PHE A 32 -9.968 3.830 3.844 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.750 3.948 2.712 1.00 0.00 C ATOM 0 H PHE A 32 -10.378 7.445 5.470 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.720 6.525 5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.786 8.182 3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.359 7.165 3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.000 7.122 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.587 4.799 5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.371 5.226 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.959 2.905 4.401 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.353 3.115 2.382 1.00 0.00 H new ATOM 515 N LYS A 33 -8.272 9.588 6.543 1.00 0.00 N ATOM 516 CA LYS A 33 -7.687 10.805 7.082 1.00 0.00 C ATOM 517 C LYS A 33 -7.032 10.511 8.436 1.00 0.00 C ATOM 518 O LYS A 33 -6.128 11.223 8.876 1.00 0.00 O ATOM 519 CB LYS A 33 -8.774 11.868 7.243 1.00 0.00 C ATOM 520 CG LYS A 33 -8.223 13.269 7.418 1.00 0.00 C ATOM 521 CD LYS A 33 -9.341 14.289 7.560 1.00 0.00 C ATOM 522 CE LYS A 33 -8.801 15.666 7.909 1.00 0.00 C ATOM 523 NZ LYS A 33 -8.071 15.665 9.204 1.00 0.00 N ATOM 0 H LYS A 33 -9.283 9.525 6.658 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.925 11.175 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.424 11.848 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.392 11.618 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.583 13.303 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.600 13.526 6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.905 14.344 6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.036 13.963 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.134 16.005 7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.625 16.377 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.387 16.470 9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.265 14.778 9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.049 15.746 9.027 1.00 0.00 H new ATOM 537 N LYS A 34 -7.493 9.441 9.079 1.00 0.00 N ATOM 538 CA LYS A 34 -6.989 9.032 10.387 1.00 0.00 C ATOM 539 C LYS A 34 -6.169 7.746 10.262 1.00 0.00 C ATOM 540 O LYS A 34 -5.764 7.151 11.264 1.00 0.00 O ATOM 541 CB LYS A 34 -8.162 8.799 11.357 1.00 0.00 C ATOM 542 CG LYS A 34 -8.840 7.447 11.180 1.00 0.00 C ATOM 543 CD LYS A 34 -10.001 7.233 12.139 1.00 0.00 C ATOM 544 CE LYS A 34 -9.525 6.866 13.536 1.00 0.00 C ATOM 545 NZ LYS A 34 -10.614 6.249 14.341 1.00 0.00 N ATOM 0 H LYS A 34 -8.225 8.834 8.709 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.351 9.826 10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.798 8.882 12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.901 9.588 11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.202 7.360 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.104 6.656 11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.603 8.140 12.188 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.646 6.442 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.687 6.173 13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.158 7.759 14.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.254 6.011 15.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.404 6.920 14.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.946 5.384 13.870 1.00 0.00 H new ATOM 559 N TRP A 35 -5.907 7.351 9.017 1.00 0.00 N ATOM 560 CA TRP A 35 -5.227 6.090 8.707 1.00 0.00 C ATOM 561 C TRP A 35 -5.966 4.889 9.296 1.00 0.00 C ATOM 562 O TRP A 35 -5.389 4.080 10.023 1.00 0.00 O ATOM 563 CB TRP A 35 -3.780 6.120 9.200 1.00 0.00 C ATOM 564 CG TRP A 35 -2.920 7.100 8.461 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.928 8.454 8.607 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.928 6.809 7.466 1.00 0.00 C ATOM 567 NE1 TRP A 35 -2.004 9.027 7.772 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.378 8.040 7.059 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.450 5.633 6.876 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.377 8.129 6.099 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.456 5.724 5.921 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.072 6.963 5.541 1.00 0.00 C ATOM 0 H TRP A 35 -6.160 7.896 8.192 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.226 5.979 7.623 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.771 6.368 10.261 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.350 5.123 9.101 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.570 8.998 9.284 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.814 10.026 7.695 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.851 4.672 7.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.032 9.084 5.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.080 4.823 5.459 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.849 7.000 4.792 1.00 0.00 H new ATOM 583 N GLU A 36 -7.247 4.780 8.977 1.00 0.00 N ATOM 584 CA GLU A 36 -8.057 3.654 9.403 1.00 0.00 C ATOM 585 C GLU A 36 -8.588 2.927 8.180 1.00 0.00 C ATOM 586 O GLU A 36 -9.417 3.457 7.441 1.00 0.00 O ATOM 587 CB GLU A 36 -9.208 4.130 10.288 1.00 0.00 C ATOM 588 CG GLU A 36 -10.094 3.016 10.808 1.00 0.00 C ATOM 589 CD GLU A 36 -11.208 3.528 11.701 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.914 3.968 12.832 1.00 0.00 O ATOM 591 OE2 GLU A 36 -12.385 3.491 11.281 1.00 0.00 O ATOM 0 H GLU A 36 -7.751 5.468 8.417 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.444 2.969 9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.797 4.678 11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.820 4.832 9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.527 2.477 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.486 2.302 11.364 1.00 0.00 H new ATOM 598 N PHE A 37 -8.086 1.726 7.962 1.00 0.00 N ATOM 599 CA PHE A 37 -8.446 0.949 6.786 1.00 0.00 C ATOM 600 C PHE A 37 -9.219 -0.303 7.189 1.00 0.00 C ATOM 601 O PHE A 37 -8.626 -1.342 7.484 1.00 0.00 O ATOM 602 CB PHE A 37 -7.180 0.570 6.001 1.00 0.00 C ATOM 603 CG PHE A 37 -6.305 1.755 5.695 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.395 2.218 6.633 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.403 2.415 4.480 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.602 3.317 6.367 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.610 3.513 4.209 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.710 3.966 5.154 1.00 0.00 C ATOM 0 H PHE A 37 -7.425 1.264 8.586 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.088 1.555 6.147 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.608 -0.160 6.574 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.468 0.087 5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.305 1.713 7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.106 2.067 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.898 3.668 7.107 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.694 4.018 3.258 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.092 4.826 4.944 1.00 0.00 H new ATOM 618 N PRO A 38 -10.559 -0.203 7.240 1.00 0.00 N ATOM 619 CA PRO A 38 -11.427 -1.334 7.578 1.00 0.00 C ATOM 620 C PRO A 38 -11.371 -2.443 6.541 1.00 0.00 C ATOM 621 O PRO A 38 -11.111 -2.202 5.357 1.00 0.00 O ATOM 622 CB PRO A 38 -12.830 -0.726 7.609 1.00 0.00 C ATOM 623 CG PRO A 38 -12.616 0.740 7.730 1.00 0.00 C ATOM 624 CD PRO A 38 -11.339 1.018 6.988 1.00 0.00 C ATOM 0 HA PRO A 38 -11.124 -1.796 8.517 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.385 -0.970 6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.407 -1.111 8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.449 1.296 7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.537 1.041 8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.513 1.177 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.835 1.908 7.365 1.00 0.00 H new ATOM 632 N GLU A 39 -11.619 -3.656 7.000 1.00 0.00 N ATOM 633 CA GLU A 39 -11.660 -4.812 6.129 1.00 0.00 C ATOM 634 C GLU A 39 -12.959 -4.812 5.334 1.00 0.00 C ATOM 635 O GLU A 39 -13.989 -5.319 5.788 1.00 0.00 O ATOM 636 CB GLU A 39 -11.521 -6.090 6.943 1.00 0.00 C ATOM 637 CG GLU A 39 -11.495 -7.352 6.102 1.00 0.00 C ATOM 638 CD GLU A 39 -11.368 -8.594 6.948 1.00 0.00 C ATOM 639 OE1 GLU A 39 -10.299 -9.239 6.919 1.00 0.00 O ATOM 640 OE2 GLU A 39 -12.336 -8.926 7.661 1.00 0.00 O ATOM 0 H GLU A 39 -11.797 -3.865 7.982 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.825 -4.765 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.605 -6.037 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.349 -6.152 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.407 -7.410 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.661 -7.304 5.402 1.00 0.00 H new ATOM 647 N ASP A 40 -12.896 -4.209 4.163 1.00 0.00 N ATOM 648 CA ASP A 40 -14.046 -4.077 3.277 1.00 0.00 C ATOM 649 C ASP A 40 -13.536 -3.903 1.858 1.00 0.00 C ATOM 650 O ASP A 40 -12.519 -3.241 1.638 1.00 0.00 O ATOM 651 CB ASP A 40 -14.903 -2.867 3.682 1.00 0.00 C ATOM 652 CG ASP A 40 -16.188 -2.759 2.883 1.00 0.00 C ATOM 653 OD1 ASP A 40 -16.137 -2.349 1.704 1.00 0.00 O ATOM 654 OD2 ASP A 40 -17.262 -3.072 3.439 1.00 0.00 O ATOM 0 H ASP A 40 -12.042 -3.793 3.793 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.669 -4.968 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.145 -2.939 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.321 -1.955 3.549 1.00 0.00 H new ATOM 659 N ASP A 41 -14.239 -4.504 0.898 1.00 0.00 N ATOM 660 CA ASP A 41 -13.803 -4.500 -0.503 1.00 0.00 C ATOM 661 C ASP A 41 -13.695 -3.082 -1.048 1.00 0.00 C ATOM 662 O ASP A 41 -12.941 -2.829 -1.989 1.00 0.00 O ATOM 663 CB ASP A 41 -14.739 -5.324 -1.394 1.00 0.00 C ATOM 664 CG ASP A 41 -14.699 -6.808 -1.080 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.740 -7.487 -1.502 1.00 0.00 O ATOM 666 OD2 ASP A 41 -15.638 -7.307 -0.421 1.00 0.00 O ATOM 0 H ASP A 41 -15.114 -5.001 1.063 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.815 -4.961 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.759 -4.960 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.466 -5.171 -2.438 1.00 0.00 H new ATOM 671 N THR A 42 -14.453 -2.163 -0.456 1.00 0.00 N ATOM 672 CA THR A 42 -14.365 -0.752 -0.801 1.00 0.00 C ATOM 673 C THR A 42 -12.948 -0.227 -0.553 1.00 0.00 C ATOM 674 O THR A 42 -12.293 0.289 -1.464 1.00 0.00 O ATOM 675 CB THR A 42 -15.365 0.067 0.032 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.691 -0.449 -0.150 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.326 1.529 -0.358 1.00 0.00 C ATOM 0 H THR A 42 -15.138 -2.375 0.269 1.00 0.00 H new ATOM 0 HA THR A 42 -14.606 -0.646 -1.859 1.00 0.00 H new ATOM 0 HB THR A 42 -15.084 -0.016 1.082 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.830 -1.213 0.448 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.042 2.086 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.324 1.924 -0.189 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.583 1.631 -1.412 1.00 0.00 H new ATOM 685 N THR A 43 -12.484 -0.382 0.681 1.00 0.00 N ATOM 686 CA THR A 43 -11.145 0.036 1.072 1.00 0.00 C ATOM 687 C THR A 43 -10.079 -0.691 0.253 1.00 0.00 C ATOM 688 O THR A 43 -9.042 -0.123 -0.087 1.00 0.00 O ATOM 689 CB THR A 43 -10.909 -0.258 2.563 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.005 0.246 3.339 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.612 0.374 3.046 1.00 0.00 C ATOM 0 H THR A 43 -13.025 -0.801 1.437 1.00 0.00 H new ATOM 0 HA THR A 43 -11.068 1.107 0.887 1.00 0.00 H new ATOM 0 HB THR A 43 -10.836 -1.338 2.688 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.348 1.066 2.927 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.470 0.150 4.103 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.776 -0.029 2.474 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.660 1.454 2.907 1.00 0.00 H new ATOM 699 N MET A 44 -10.360 -1.944 -0.077 1.00 0.00 N ATOM 700 CA MET A 44 -9.394 -2.791 -0.760 1.00 0.00 C ATOM 701 C MET A 44 -9.119 -2.297 -2.175 1.00 0.00 C ATOM 702 O MET A 44 -7.966 -2.104 -2.562 1.00 0.00 O ATOM 703 CB MET A 44 -9.885 -4.238 -0.788 1.00 0.00 C ATOM 704 CG MET A 44 -10.112 -4.818 0.597 1.00 0.00 C ATOM 705 SD MET A 44 -10.710 -6.515 0.560 1.00 0.00 S ATOM 706 CE MET A 44 -10.863 -6.835 2.315 1.00 0.00 C ATOM 0 H MET A 44 -11.253 -2.397 0.118 1.00 0.00 H new ATOM 0 HA MET A 44 -8.457 -2.744 -0.204 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.816 -4.289 -1.353 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.157 -4.852 -1.317 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.178 -4.780 1.158 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.831 -4.197 1.132 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.275 -7.832 2.468 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.881 -6.773 2.783 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.526 -6.095 2.763 1.00 0.00 H new ATOM 716 N CYS A 45 -10.177 -2.080 -2.946 1.00 0.00 N ATOM 717 CA CYS A 45 -10.029 -1.578 -4.307 1.00 0.00 C ATOM 718 C CYS A 45 -9.467 -0.164 -4.298 1.00 0.00 C ATOM 719 O CYS A 45 -8.777 0.245 -5.234 1.00 0.00 O ATOM 720 CB CYS A 45 -11.363 -1.616 -5.060 1.00 0.00 C ATOM 721 SG CYS A 45 -12.005 -3.299 -5.339 1.00 0.00 S ATOM 0 H CYS A 45 -11.141 -2.242 -2.655 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.328 -2.230 -4.828 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.102 -1.044 -4.499 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.240 -1.120 -6.023 1.00 0.00 H new ATOM 726 N TYR A 46 -9.759 0.573 -3.232 1.00 0.00 N ATOM 727 CA TYR A 46 -9.215 1.907 -3.045 1.00 0.00 C ATOM 728 C TYR A 46 -7.693 1.856 -2.976 1.00 0.00 C ATOM 729 O TYR A 46 -7.006 2.580 -3.696 1.00 0.00 O ATOM 730 CB TYR A 46 -9.798 2.518 -1.770 1.00 0.00 C ATOM 731 CG TYR A 46 -9.030 3.711 -1.246 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.296 3.618 -0.069 1.00 0.00 C ATOM 733 CD2 TYR A 46 -9.043 4.927 -1.920 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.601 4.703 0.424 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.346 6.015 -1.433 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.629 5.897 -0.260 1.00 0.00 C ATOM 737 OH TYR A 46 -6.948 6.981 0.230 1.00 0.00 O ATOM 0 H TYR A 46 -10.375 0.263 -2.480 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.490 2.532 -3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.828 2.819 -1.963 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.830 1.752 -0.995 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.269 2.681 0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.606 5.022 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.038 4.616 1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.362 6.953 -1.967 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.424 6.712 1.013 1.00 0.00 H new ATOM 747 N ILE A 47 -7.183 0.977 -2.122 1.00 0.00 N ATOM 748 CA ILE A 47 -5.748 0.793 -1.967 1.00 0.00 C ATOM 749 C ILE A 47 -5.110 0.373 -3.286 1.00 0.00 C ATOM 750 O ILE A 47 -4.037 0.855 -3.646 1.00 0.00 O ATOM 751 CB ILE A 47 -5.430 -0.257 -0.877 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.858 0.257 0.509 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.951 -0.627 -0.889 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.186 1.552 0.927 1.00 0.00 C ATOM 0 H ILE A 47 -7.749 0.376 -1.522 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.329 1.751 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.000 -1.160 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.938 0.404 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.638 -0.510 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.755 -1.367 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.688 -1.043 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.352 0.264 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.543 1.845 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.106 1.408 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.426 2.335 0.208 1.00 0.00 H new ATOM 766 N LYS A 48 -5.790 -0.507 -4.013 1.00 0.00 N ATOM 767 CA LYS A 48 -5.278 -1.012 -5.276 1.00 0.00 C ATOM 768 C LYS A 48 -5.103 0.133 -6.270 1.00 0.00 C ATOM 769 O LYS A 48 -4.054 0.265 -6.896 1.00 0.00 O ATOM 770 CB LYS A 48 -6.222 -2.086 -5.834 1.00 0.00 C ATOM 771 CG LYS A 48 -5.649 -2.877 -7.006 1.00 0.00 C ATOM 772 CD LYS A 48 -5.858 -2.169 -8.338 1.00 0.00 C ATOM 773 CE LYS A 48 -5.211 -2.927 -9.487 1.00 0.00 C ATOM 774 NZ LYS A 48 -5.545 -2.328 -10.808 1.00 0.00 N ATOM 0 H LYS A 48 -6.699 -0.884 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.302 -1.468 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.478 -2.780 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.149 -1.609 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.583 -3.038 -6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.118 -3.860 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.926 -2.061 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.441 -1.163 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.129 -2.932 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.540 -3.966 -9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.084 -2.875 -11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.576 -2.346 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.209 -1.344 -10.838 1.00 0.00 H new ATOM 788 N CYS A 49 -6.136 0.960 -6.401 1.00 0.00 N ATOM 789 CA CYS A 49 -6.093 2.117 -7.292 1.00 0.00 C ATOM 790 C CYS A 49 -4.941 3.056 -6.931 1.00 0.00 C ATOM 791 O CYS A 49 -4.148 3.437 -7.792 1.00 0.00 O ATOM 792 CB CYS A 49 -7.428 2.869 -7.251 1.00 0.00 C ATOM 793 SG CYS A 49 -7.416 4.481 -8.110 1.00 0.00 S ATOM 0 H CYS A 49 -7.017 0.850 -5.899 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.922 1.754 -8.305 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.199 2.240 -7.696 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.709 3.028 -6.210 1.00 0.00 H new ATOM 798 N VAL A 50 -4.840 3.400 -5.649 1.00 0.00 N ATOM 799 CA VAL A 50 -3.828 4.329 -5.173 1.00 0.00 C ATOM 800 C VAL A 50 -2.424 3.788 -5.421 1.00 0.00 C ATOM 801 O VAL A 50 -1.550 4.485 -5.945 1.00 0.00 O ATOM 802 CB VAL A 50 -4.016 4.609 -3.669 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.868 5.430 -3.113 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.334 5.316 -3.431 1.00 0.00 C ATOM 0 H VAL A 50 -5.455 3.043 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.946 5.259 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.026 3.653 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.031 5.610 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.933 4.887 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.814 6.383 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.456 5.509 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.343 6.261 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.153 4.688 -3.782 1.00 0.00 H new ATOM 814 N PHE A 51 -2.231 2.530 -5.064 1.00 0.00 N ATOM 815 CA PHE A 51 -0.942 1.878 -5.196 1.00 0.00 C ATOM 816 C PHE A 51 -0.568 1.700 -6.662 1.00 0.00 C ATOM 817 O PHE A 51 0.608 1.660 -7.017 1.00 0.00 O ATOM 818 CB PHE A 51 -0.980 0.523 -4.487 1.00 0.00 C ATOM 819 CG PHE A 51 -0.590 0.576 -3.036 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.907 1.675 -2.254 1.00 0.00 C ATOM 821 CD2 PHE A 51 0.084 -0.484 -2.452 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.558 1.715 -0.918 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.435 -0.448 -1.118 1.00 0.00 C ATOM 824 CZ PHE A 51 0.114 0.654 -0.350 1.00 0.00 C ATOM 0 H PHE A 51 -2.962 1.934 -4.676 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.182 2.507 -4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.986 0.112 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.313 -0.165 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.433 2.510 -2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.338 -1.348 -3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.812 2.577 -0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.960 -1.281 -0.675 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.389 0.684 0.694 1.00 0.00 H new ATOM 834 N ASN A 52 -1.578 1.611 -7.512 1.00 0.00 N ATOM 835 CA ASN A 52 -1.361 1.396 -8.935 1.00 0.00 C ATOM 836 C ASN A 52 -0.990 2.703 -9.623 1.00 0.00 C ATOM 837 O ASN A 52 -0.118 2.733 -10.491 1.00 0.00 O ATOM 838 CB ASN A 52 -2.616 0.800 -9.581 1.00 0.00 C ATOM 839 CG ASN A 52 -2.417 0.433 -11.043 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.336 0.558 -11.850 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.236 -0.062 -11.392 1.00 0.00 N ATOM 0 H ASN A 52 -2.559 1.684 -7.241 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.536 0.694 -9.054 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.915 -0.090 -9.027 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.434 1.516 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.069 -0.352 -12.355 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.495 -0.152 -10.697 1.00 0.00 H new ATOM 848 N LYS A 53 -1.641 3.788 -9.213 1.00 0.00 N ATOM 849 CA LYS A 53 -1.396 5.096 -9.808 1.00 0.00 C ATOM 850 C LYS A 53 -0.037 5.641 -9.391 1.00 0.00 C ATOM 851 O LYS A 53 0.611 6.362 -10.148 1.00 0.00 O ATOM 852 CB LYS A 53 -2.509 6.083 -9.438 1.00 0.00 C ATOM 853 CG LYS A 53 -3.786 5.901 -10.254 1.00 0.00 C ATOM 854 CD LYS A 53 -3.538 6.044 -11.754 1.00 0.00 C ATOM 855 CE LYS A 53 -3.032 7.433 -12.128 1.00 0.00 C ATOM 856 NZ LYS A 53 -4.057 8.483 -11.893 1.00 0.00 N ATOM 0 H LYS A 53 -2.342 3.786 -8.472 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.394 4.973 -10.891 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.745 5.971 -8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.142 7.100 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.208 4.917 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.525 6.637 -9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.811 5.297 -12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.463 5.839 -12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.139 7.662 -11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.739 7.441 -13.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.717 9.391 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.941 8.219 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.232 8.575 -10.872 1.00 0.00 H new ATOM 870 N MET A 54 0.401 5.279 -8.191 1.00 0.00 N ATOM 871 CA MET A 54 1.726 5.663 -7.726 1.00 0.00 C ATOM 872 C MET A 54 2.789 4.717 -8.270 1.00 0.00 C ATOM 873 O MET A 54 3.964 4.819 -7.920 1.00 0.00 O ATOM 874 CB MET A 54 1.785 5.693 -6.198 1.00 0.00 C ATOM 875 CG MET A 54 1.147 6.930 -5.596 1.00 0.00 C ATOM 876 SD MET A 54 1.518 7.125 -3.843 1.00 0.00 S ATOM 877 CE MET A 54 0.953 5.556 -3.203 1.00 0.00 C ATOM 0 H MET A 54 -0.139 4.724 -7.527 1.00 0.00 H new ATOM 0 HA MET A 54 1.928 6.667 -8.100 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.286 4.807 -5.805 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.826 5.639 -5.881 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.493 7.811 -6.136 1.00 0.00 H new ATOM 0 HG3 MET A 54 0.067 6.878 -5.730 1.00 0.00 H new ATOM 0 HE1 MET A 54 0.450 5.712 -2.249 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.258 5.104 -3.910 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.806 4.893 -3.059 1.00 0.00 H new ATOM 887 N GLN A 55 2.348 3.797 -9.131 1.00 0.00 N ATOM 888 CA GLN A 55 3.215 2.800 -9.750 1.00 0.00 C ATOM 889 C GLN A 55 3.999 2.015 -8.708 1.00 0.00 C ATOM 890 O GLN A 55 5.209 1.836 -8.820 1.00 0.00 O ATOM 891 CB GLN A 55 4.139 3.459 -10.769 1.00 0.00 C ATOM 892 CG GLN A 55 3.488 3.611 -12.131 1.00 0.00 C ATOM 893 CD GLN A 55 4.331 4.395 -13.115 1.00 0.00 C ATOM 894 OE1 GLN A 55 4.225 5.619 -13.201 1.00 0.00 O ATOM 895 NE2 GLN A 55 5.169 3.698 -13.867 1.00 0.00 N ATOM 0 H GLN A 55 1.372 3.725 -9.418 1.00 0.00 H new ATOM 0 HA GLN A 55 2.585 2.083 -10.277 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.439 4.441 -10.402 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.047 2.865 -10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.288 2.622 -12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.525 4.108 -12.012 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.225 2.685 -13.763 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.758 4.174 -14.550 1.00 0.00 H new ATOM 904 N LEU A 56 3.286 1.541 -7.702 1.00 0.00 N ATOM 905 CA LEU A 56 3.889 0.808 -6.604 1.00 0.00 C ATOM 906 C LEU A 56 3.341 -0.617 -6.546 1.00 0.00 C ATOM 907 O LEU A 56 3.927 -1.504 -5.923 1.00 0.00 O ATOM 908 CB LEU A 56 3.630 1.558 -5.288 1.00 0.00 C ATOM 909 CG LEU A 56 4.787 2.442 -4.814 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.397 3.224 -3.567 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.019 1.603 -4.540 1.00 0.00 C ATOM 0 H LEU A 56 2.275 1.653 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 56 4.965 0.739 -6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.743 2.179 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.405 0.829 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 56 5.016 3.152 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.235 3.844 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.539 3.859 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.137 2.529 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.831 2.248 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.795 0.869 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.319 1.088 -5.453 1.00 0.00 H new ATOM 923 N PHE A 57 2.215 -0.825 -7.219 1.00 0.00 N ATOM 924 CA PHE A 57 1.586 -2.134 -7.293 1.00 0.00 C ATOM 925 C PHE A 57 1.009 -2.350 -8.685 1.00 0.00 C ATOM 926 O PHE A 57 0.471 -1.423 -9.297 1.00 0.00 O ATOM 927 CB PHE A 57 0.480 -2.274 -6.231 1.00 0.00 C ATOM 928 CG PHE A 57 -0.291 -3.565 -6.310 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.477 -3.638 -7.028 1.00 0.00 C ATOM 930 CD2 PHE A 57 0.169 -4.705 -5.668 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.187 -4.820 -7.102 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.539 -5.891 -5.741 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.717 -5.948 -6.458 1.00 0.00 C ATOM 0 H PHE A 57 1.716 -0.094 -7.726 1.00 0.00 H new ATOM 0 HA PHE A 57 2.343 -2.893 -7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.930 -2.192 -5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.216 -1.441 -6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.849 -2.760 -7.535 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.090 -4.666 -5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.109 -4.863 -7.663 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.170 -6.772 -5.237 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.271 -6.874 -6.515 1.00 0.00 H new ATOM 943 N ASP A 58 1.138 -3.569 -9.175 1.00 0.00 N ATOM 944 CA ASP A 58 0.593 -3.953 -10.466 1.00 0.00 C ATOM 945 C ASP A 58 -0.255 -5.209 -10.303 1.00 0.00 C ATOM 946 O ASP A 58 0.039 -6.052 -9.465 1.00 0.00 O ATOM 947 CB ASP A 58 1.731 -4.202 -11.459 1.00 0.00 C ATOM 948 CG ASP A 58 1.225 -4.717 -12.786 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.610 -5.837 -13.175 1.00 0.00 O ATOM 950 OD2 ASP A 58 0.418 -4.019 -13.432 1.00 0.00 O ATOM 0 H ASP A 58 1.624 -4.323 -8.689 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.033 -3.149 -10.852 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.283 -3.275 -11.617 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.431 -4.922 -11.034 1.00 0.00 H new ATOM 955 N ASP A 59 -1.316 -5.335 -11.092 1.00 0.00 N ATOM 956 CA ASP A 59 -2.230 -6.468 -10.948 1.00 0.00 C ATOM 957 C ASP A 59 -1.659 -7.727 -11.592 1.00 0.00 C ATOM 958 O ASP A 59 -2.200 -8.819 -11.418 1.00 0.00 O ATOM 959 CB ASP A 59 -3.608 -6.152 -11.543 1.00 0.00 C ATOM 960 CG ASP A 59 -3.605 -6.059 -13.057 1.00 0.00 C ATOM 961 OD1 ASP A 59 -3.235 -4.991 -13.591 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.996 -7.040 -13.721 1.00 0.00 O ATOM 0 H ASP A 59 -1.565 -4.677 -11.830 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.349 -6.650 -9.880 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.314 -6.924 -11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.966 -5.209 -11.129 1.00 0.00 H new ATOM 967 N THR A 60 -0.571 -7.576 -12.334 1.00 0.00 N ATOM 968 CA THR A 60 0.100 -8.714 -12.940 1.00 0.00 C ATOM 969 C THR A 60 1.275 -9.187 -12.076 1.00 0.00 C ATOM 970 O THR A 60 1.260 -10.305 -11.555 1.00 0.00 O ATOM 971 CB THR A 60 0.590 -8.371 -14.361 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.534 -8.211 -15.237 1.00 0.00 O ATOM 973 CG2 THR A 60 1.522 -9.440 -14.904 1.00 0.00 C ATOM 0 H THR A 60 -0.135 -6.675 -12.530 1.00 0.00 H new ATOM 0 HA THR A 60 -0.625 -9.525 -13.008 1.00 0.00 H new ATOM 0 HB THR A 60 1.149 -7.437 -14.307 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.218 -7.991 -16.138 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.847 -9.164 -15.907 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.391 -9.530 -14.253 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.997 -10.395 -14.942 1.00 0.00 H new ATOM 981 N GLU A 61 2.285 -8.332 -11.916 1.00 0.00 N ATOM 982 CA GLU A 61 3.477 -8.685 -11.150 1.00 0.00 C ATOM 983 C GLU A 61 3.230 -8.586 -9.646 1.00 0.00 C ATOM 984 O GLU A 61 3.972 -9.161 -8.846 1.00 0.00 O ATOM 985 CB GLU A 61 4.647 -7.779 -11.519 1.00 0.00 C ATOM 986 CG GLU A 61 4.764 -7.496 -13.000 1.00 0.00 C ATOM 987 CD GLU A 61 6.090 -6.864 -13.360 1.00 0.00 C ATOM 988 OE1 GLU A 61 6.288 -5.666 -13.066 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.948 -7.572 -13.935 1.00 0.00 O ATOM 0 H GLU A 61 2.300 -7.390 -12.307 1.00 0.00 H new ATOM 0 HA GLU A 61 3.719 -9.718 -11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.543 -6.834 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.573 -8.240 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.644 -8.426 -13.556 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.954 -6.835 -13.307 1.00 0.00 H new ATOM 996 N GLY A 62 2.187 -7.864 -9.266 1.00 0.00 N ATOM 997 CA GLY A 62 1.920 -7.632 -7.862 1.00 0.00 C ATOM 998 C GLY A 62 2.695 -6.448 -7.326 1.00 0.00 C ATOM 999 O GLY A 62 2.892 -5.465 -8.040 1.00 0.00 O ATOM 0 H GLY A 62 1.519 -7.434 -9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.853 -7.462 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.180 -8.524 -7.291 1.00 0.00 H new ATOM 1003 N PRO A 63 3.146 -6.506 -6.065 1.00 0.00 N ATOM 1004 CA PRO A 63 3.901 -5.414 -5.455 1.00 0.00 C ATOM 1005 C PRO A 63 5.248 -5.212 -6.139 1.00 0.00 C ATOM 1006 O PRO A 63 6.056 -6.138 -6.245 1.00 0.00 O ATOM 1007 CB PRO A 63 4.074 -5.853 -3.997 1.00 0.00 C ATOM 1008 CG PRO A 63 3.869 -7.324 -3.997 1.00 0.00 C ATOM 1009 CD PRO A 63 2.954 -7.639 -5.145 1.00 0.00 C ATOM 0 HA PRO A 63 3.391 -4.455 -5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.066 -5.595 -3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.351 -5.356 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.820 -7.846 -4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.432 -7.653 -3.054 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.215 -8.586 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.917 -7.720 -4.820 1.00 0.00 H new ATOM 1017 N LEU A 64 5.476 -3.997 -6.619 1.00 0.00 N ATOM 1018 CA LEU A 64 6.700 -3.674 -7.337 1.00 0.00 C ATOM 1019 C LEU A 64 7.814 -3.391 -6.346 1.00 0.00 C ATOM 1020 O LEU A 64 8.026 -2.251 -5.939 1.00 0.00 O ATOM 1021 CB LEU A 64 6.489 -2.471 -8.262 1.00 0.00 C ATOM 1022 CG LEU A 64 5.272 -2.580 -9.186 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.091 -1.306 -9.994 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.420 -3.777 -10.109 1.00 0.00 C ATOM 0 H LEU A 64 4.826 -3.217 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 64 6.979 -4.528 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.385 -1.574 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.382 -2.339 -8.873 1.00 0.00 H new ATOM 0 HG LEU A 64 4.384 -2.720 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.221 -1.407 -10.643 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.944 -0.464 -9.318 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.979 -1.132 -10.602 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.549 -3.844 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.318 -3.660 -10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.499 -4.687 -9.515 1.00 0.00 H new ATOM 1036 N VAL A 65 8.511 -4.456 -5.971 1.00 0.00 N ATOM 1037 CA VAL A 65 9.546 -4.421 -4.944 1.00 0.00 C ATOM 1038 C VAL A 65 10.555 -3.295 -5.168 1.00 0.00 C ATOM 1039 O VAL A 65 10.909 -2.579 -4.234 1.00 0.00 O ATOM 1040 CB VAL A 65 10.290 -5.768 -4.880 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.467 -5.702 -3.920 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.335 -6.876 -4.473 1.00 0.00 C ATOM 0 H VAL A 65 8.372 -5.381 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 65 9.039 -4.232 -3.998 1.00 0.00 H new ATOM 0 HB VAL A 65 10.681 -5.986 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.972 -6.668 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.166 -4.935 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.108 -5.456 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.873 -7.823 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.916 -6.653 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.529 -6.948 -5.203 1.00 0.00 H new ATOM 1052 N ASP A 66 11.005 -3.139 -6.406 1.00 0.00 N ATOM 1053 CA ASP A 66 12.012 -2.133 -6.739 1.00 0.00 C ATOM 1054 C ASP A 66 11.550 -0.724 -6.367 1.00 0.00 C ATOM 1055 O ASP A 66 12.263 0.005 -5.674 1.00 0.00 O ATOM 1056 CB ASP A 66 12.352 -2.211 -8.224 1.00 0.00 C ATOM 1057 CG ASP A 66 13.334 -1.140 -8.664 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.504 -1.173 -8.222 1.00 0.00 O ATOM 1059 OD2 ASP A 66 12.947 -0.264 -9.465 1.00 0.00 O ATOM 0 H ASP A 66 10.689 -3.696 -7.200 1.00 0.00 H new ATOM 0 HA ASP A 66 12.907 -2.345 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.771 -3.193 -8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.435 -2.117 -8.806 1.00 0.00 H new ATOM 1064 N ASN A 67 10.353 -0.348 -6.810 1.00 0.00 N ATOM 1065 CA ASN A 67 9.798 0.964 -6.485 1.00 0.00 C ATOM 1066 C ASN A 67 9.468 1.051 -5.002 1.00 0.00 C ATOM 1067 O ASN A 67 9.622 2.102 -4.382 1.00 0.00 O ATOM 1068 CB ASN A 67 8.540 1.258 -7.308 1.00 0.00 C ATOM 1069 CG ASN A 67 8.834 1.541 -8.770 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.781 1.007 -9.345 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.023 2.386 -9.382 1.00 0.00 N ATOM 0 H ASN A 67 9.751 -0.930 -7.392 1.00 0.00 H new ATOM 0 HA ASN A 67 10.554 1.709 -6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.861 0.408 -7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.023 2.115 -6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.172 2.615 -10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.248 2.809 -8.872 1.00 0.00 H new ATOM 1078 N LEU A 68 9.022 -0.067 -4.443 1.00 0.00 N ATOM 1079 CA LEU A 68 8.658 -0.143 -3.032 1.00 0.00 C ATOM 1080 C LEU A 68 9.833 0.221 -2.136 1.00 0.00 C ATOM 1081 O LEU A 68 9.710 1.057 -1.245 1.00 0.00 O ATOM 1082 CB LEU A 68 8.139 -1.542 -2.698 1.00 0.00 C ATOM 1083 CG LEU A 68 6.668 -1.773 -3.044 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.347 -3.256 -3.049 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.778 -1.050 -2.052 1.00 0.00 C ATOM 0 H LEU A 68 8.902 -0.943 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 68 7.865 0.582 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.744 -2.276 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.281 -1.724 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 68 6.482 -1.376 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.295 -3.400 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.967 -3.760 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.547 -3.675 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.733 -1.222 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.972 -1.427 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.989 0.019 -2.086 1.00 0.00 H new ATOM 1097 N VAL A 69 10.976 -0.396 -2.392 1.00 0.00 N ATOM 1098 CA VAL A 69 12.185 -0.107 -1.642 1.00 0.00 C ATOM 1099 C VAL A 69 12.674 1.305 -1.939 1.00 0.00 C ATOM 1100 O VAL A 69 13.142 2.009 -1.049 1.00 0.00 O ATOM 1101 CB VAL A 69 13.288 -1.121 -1.976 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.556 -0.810 -1.205 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.819 -2.531 -1.677 1.00 0.00 C ATOM 0 H VAL A 69 11.090 -1.104 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 69 11.949 -0.184 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 69 13.509 -1.047 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.324 -1.541 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.906 0.189 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.351 -0.853 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.613 -3.238 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.569 -2.615 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.937 -2.756 -2.277 1.00 0.00 H new ATOM 1113 N HIS A 70 12.533 1.726 -3.189 1.00 0.00 N ATOM 1114 CA HIS A 70 12.973 3.051 -3.607 1.00 0.00 C ATOM 1115 C HIS A 70 12.208 4.137 -2.849 1.00 0.00 C ATOM 1116 O HIS A 70 12.739 5.215 -2.573 1.00 0.00 O ATOM 1117 CB HIS A 70 12.770 3.216 -5.118 1.00 0.00 C ATOM 1118 CG HIS A 70 13.479 4.398 -5.711 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.562 4.276 -6.555 1.00 0.00 N ATOM 1120 CD2 HIS A 70 13.257 5.728 -5.585 1.00 0.00 C ATOM 1121 CE1 HIS A 70 14.976 5.475 -6.917 1.00 0.00 C ATOM 1122 NE2 HIS A 70 14.200 6.377 -6.343 1.00 0.00 N ATOM 0 H HIS A 70 12.116 1.167 -3.933 1.00 0.00 H new ATOM 0 HA HIS A 70 14.033 3.155 -3.377 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.114 2.312 -5.620 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.703 3.307 -5.322 1.00 0.00 H new ATOM 0 HD2 HIS A 70 12.480 6.193 -4.996 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.809 5.684 -7.572 1.00 0.00 H new ATOM 0 HE2 HIS A 70 14.287 7.388 -6.446 1.00 0.00 H new ATOM 1131 N GLN A 71 10.964 3.833 -2.508 1.00 0.00 N ATOM 1132 CA GLN A 71 10.095 4.781 -1.827 1.00 0.00 C ATOM 1133 C GLN A 71 10.244 4.667 -0.313 1.00 0.00 C ATOM 1134 O GLN A 71 10.552 5.647 0.368 1.00 0.00 O ATOM 1135 CB GLN A 71 8.637 4.519 -2.213 1.00 0.00 C ATOM 1136 CG GLN A 71 7.703 5.687 -1.917 1.00 0.00 C ATOM 1137 CD GLN A 71 8.086 6.958 -2.654 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.658 6.916 -3.744 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.771 8.103 -2.067 1.00 0.00 N ATOM 0 H GLN A 71 10.531 2.928 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 71 10.384 5.787 -2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.589 4.288 -3.277 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.282 3.638 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.685 5.409 -2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.703 5.882 -0.845 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.297 8.100 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.002 8.988 -2.518 1.00 0.00 H new ATOM 1148 N LEU A 72 10.007 3.469 0.204 1.00 0.00 N ATOM 1149 CA LEU A 72 10.001 3.226 1.646 1.00 0.00 C ATOM 1150 C LEU A 72 11.371 3.454 2.284 1.00 0.00 C ATOM 1151 O LEU A 72 11.470 4.079 3.339 1.00 0.00 O ATOM 1152 CB LEU A 72 9.524 1.803 1.949 1.00 0.00 C ATOM 1153 CG LEU A 72 8.060 1.511 1.612 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.761 0.032 1.793 1.00 0.00 C ATOM 1155 CD2 LEU A 72 7.125 2.341 2.479 1.00 0.00 C ATOM 0 H LEU A 72 9.814 2.640 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 72 9.309 3.947 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.152 1.103 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.681 1.604 3.009 1.00 0.00 H new ATOM 0 HG LEU A 72 7.893 1.783 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.716 -0.160 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.401 -0.552 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.951 -0.254 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.091 2.114 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.296 2.104 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.317 3.401 2.311 1.00 0.00 H new ATOM 1167 N ALA A 73 12.425 2.956 1.641 1.00 0.00 N ATOM 1168 CA ALA A 73 13.776 3.023 2.197 1.00 0.00 C ATOM 1169 C ALA A 73 14.401 4.417 2.088 1.00 0.00 C ATOM 1170 O ALA A 73 15.616 4.547 1.931 1.00 0.00 O ATOM 1171 CB ALA A 73 14.663 1.997 1.519 1.00 0.00 C ATOM 0 H ALA A 73 12.369 2.500 0.730 1.00 0.00 H new ATOM 0 HA ALA A 73 13.694 2.801 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.668 2.052 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.256 0.999 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.704 2.201 0.449 1.00 0.00 H new ATOM 1177 N HIS A 74 13.576 5.452 2.180 1.00 0.00 N ATOM 1178 CA HIS A 74 14.065 6.827 2.140 1.00 0.00 C ATOM 1179 C HIS A 74 14.859 7.126 3.409 1.00 0.00 C ATOM 1180 O HIS A 74 14.281 7.398 4.462 1.00 0.00 O ATOM 1181 CB HIS A 74 12.896 7.818 1.997 1.00 0.00 C ATOM 1182 CG HIS A 74 13.317 9.245 1.778 1.00 0.00 C ATOM 1183 ND1 HIS A 74 14.174 10.040 2.466 1.00 0.00 N flip ATOM 1184 CD2 HIS A 74 12.812 10.029 0.762 1.00 0.00 C flip ATOM 1185 CE1 HIS A 74 14.166 11.269 1.859 1.00 0.00 C flip ATOM 1186 NE2 HIS A 74 13.338 11.236 0.834 1.00 0.00 N flip ATOM 0 H HIS A 74 12.565 5.367 2.283 1.00 0.00 H new ATOM 0 HA HIS A 74 14.715 6.943 1.273 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.269 7.504 1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.280 7.767 2.895 1.00 0.00 H new ATOM 0 HD1 HIS A 74 14.723 9.773 3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.096 9.704 0.021 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.745 12.126 2.170 1.00 0.00 H new ATOM 1195 N GLY A 75 16.177 7.063 3.302 1.00 0.00 N ATOM 1196 CA GLY A 75 17.029 7.322 4.445 1.00 0.00 C ATOM 1197 C GLY A 75 17.080 6.146 5.398 1.00 0.00 C ATOM 1198 O GLY A 75 17.259 6.321 6.601 1.00 0.00 O ATOM 0 H GLY A 75 16.674 6.836 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.037 7.552 4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.665 8.202 4.975 1.00 0.00 H new ATOM 1202 N ARG A 76 16.920 4.945 4.857 1.00 0.00 N ATOM 1203 CA ARG A 76 16.934 3.726 5.659 1.00 0.00 C ATOM 1204 C ARG A 76 17.530 2.582 4.852 1.00 0.00 C ATOM 1205 O ARG A 76 17.586 2.655 3.624 1.00 0.00 O ATOM 1206 CB ARG A 76 15.519 3.375 6.127 1.00 0.00 C ATOM 1207 CG ARG A 76 15.105 4.094 7.401 1.00 0.00 C ATOM 1208 CD ARG A 76 13.782 3.574 7.928 1.00 0.00 C ATOM 1209 NE ARG A 76 13.257 4.399 9.017 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.369 3.979 9.915 1.00 0.00 C ATOM 1211 NH1 ARG A 76 11.933 2.726 9.895 1.00 0.00 N ATOM 1212 NH2 ARG A 76 11.923 4.816 10.841 1.00 0.00 N ATOM 0 H ARG A 76 16.778 4.788 3.859 1.00 0.00 H new ATOM 0 HA ARG A 76 17.552 3.892 6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.812 3.620 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.455 2.299 6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.876 3.964 8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.025 5.164 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.056 3.543 7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.910 2.550 8.280 1.00 0.00 H new ATOM 0 HE ARG A 76 13.594 5.359 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.278 2.077 9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.252 2.412 10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.260 5.778 10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.242 4.498 11.531 1.00 0.00 H new ATOM 1226 N ASP A 77 17.972 1.535 5.541 1.00 0.00 N ATOM 1227 CA ASP A 77 18.644 0.413 4.893 1.00 0.00 C ATOM 1228 C ASP A 77 17.713 -0.336 3.958 1.00 0.00 C ATOM 1229 O ASP A 77 16.827 -1.075 4.391 1.00 0.00 O ATOM 1230 CB ASP A 77 19.235 -0.546 5.926 1.00 0.00 C ATOM 1231 CG ASP A 77 20.364 0.091 6.707 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.413 0.394 6.101 1.00 0.00 O ATOM 1233 OD2 ASP A 77 20.208 0.302 7.927 1.00 0.00 O ATOM 0 H ASP A 77 17.877 1.440 6.552 1.00 0.00 H new ATOM 0 HA ASP A 77 19.457 0.830 4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.452 -0.865 6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.601 -1.441 5.423 1.00 0.00 H new ATOM 1238 N ALA A 78 17.951 -0.140 2.669 1.00 0.00 N ATOM 1239 CA ALA A 78 17.154 -0.744 1.613 1.00 0.00 C ATOM 1240 C ALA A 78 17.104 -2.265 1.731 1.00 0.00 C ATOM 1241 O ALA A 78 16.106 -2.886 1.372 1.00 0.00 O ATOM 1242 CB ALA A 78 17.719 -0.345 0.266 1.00 0.00 C ATOM 0 H ALA A 78 18.710 0.448 2.325 1.00 0.00 H new ATOM 0 HA ALA A 78 16.132 -0.379 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.123 -0.797 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.692 0.740 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.750 -0.691 0.187 1.00 0.00 H new ATOM 1248 N GLU A 79 18.187 -2.858 2.226 1.00 0.00 N ATOM 1249 CA GLU A 79 18.255 -4.309 2.402 1.00 0.00 C ATOM 1250 C GLU A 79 17.153 -4.805 3.333 1.00 0.00 C ATOM 1251 O GLU A 79 16.449 -5.768 3.020 1.00 0.00 O ATOM 1252 CB GLU A 79 19.617 -4.734 2.949 1.00 0.00 C ATOM 1253 CG GLU A 79 20.752 -4.590 1.952 1.00 0.00 C ATOM 1254 CD GLU A 79 22.014 -5.279 2.421 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.641 -4.793 3.385 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.380 -6.321 1.835 1.00 0.00 O ATOM 0 H GLU A 79 19.029 -2.359 2.512 1.00 0.00 H new ATOM 0 HA GLU A 79 18.113 -4.759 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.845 -4.138 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.560 -5.774 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.446 -5.008 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.957 -3.532 1.787 1.00 0.00 H new ATOM 1263 N GLU A 80 17.001 -4.139 4.471 1.00 0.00 N ATOM 1264 CA GLU A 80 15.969 -4.501 5.430 1.00 0.00 C ATOM 1265 C GLU A 80 14.590 -4.212 4.856 1.00 0.00 C ATOM 1266 O GLU A 80 13.690 -5.047 4.930 1.00 0.00 O ATOM 1267 CB GLU A 80 16.154 -3.739 6.736 1.00 0.00 C ATOM 1268 CG GLU A 80 17.364 -4.171 7.538 1.00 0.00 C ATOM 1269 CD GLU A 80 17.340 -3.611 8.943 1.00 0.00 C ATOM 1270 OE1 GLU A 80 17.521 -2.388 9.101 1.00 0.00 O ATOM 1271 OE2 GLU A 80 17.133 -4.391 9.898 1.00 0.00 O ATOM 0 H GLU A 80 17.579 -3.347 4.751 1.00 0.00 H new ATOM 0 HA GLU A 80 16.055 -5.568 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.239 -2.675 6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.261 -3.867 7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.400 -5.260 7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.271 -3.842 7.032 1.00 0.00 H new ATOM 1278 N VAL A 81 14.448 -3.030 4.267 1.00 0.00 N ATOM 1279 CA VAL A 81 13.190 -2.605 3.666 1.00 0.00 C ATOM 1280 C VAL A 81 12.700 -3.609 2.622 1.00 0.00 C ATOM 1281 O VAL A 81 11.542 -4.021 2.645 1.00 0.00 O ATOM 1282 CB VAL A 81 13.337 -1.214 3.029 1.00 0.00 C ATOM 1283 CG1 VAL A 81 12.057 -0.788 2.330 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.728 -0.207 4.090 1.00 0.00 C ATOM 0 H VAL A 81 15.198 -2.343 4.193 1.00 0.00 H new ATOM 0 HA VAL A 81 12.448 -2.555 4.463 1.00 0.00 H new ATOM 0 HB VAL A 81 14.121 -1.261 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.194 0.200 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.815 -1.504 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.242 -0.753 3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.832 0.778 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.958 -0.172 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.677 -0.501 4.539 1.00 0.00 H new ATOM 1294 N ARG A 82 13.593 -4.007 1.718 1.00 0.00 N ATOM 1295 CA ARG A 82 13.280 -5.004 0.702 1.00 0.00 C ATOM 1296 C ARG A 82 12.834 -6.306 1.350 1.00 0.00 C ATOM 1297 O ARG A 82 11.862 -6.926 0.923 1.00 0.00 O ATOM 1298 CB ARG A 82 14.503 -5.256 -0.173 1.00 0.00 C ATOM 1299 CG ARG A 82 14.198 -6.083 -1.401 1.00 0.00 C ATOM 1300 CD ARG A 82 15.442 -6.313 -2.233 1.00 0.00 C ATOM 1301 NE ARG A 82 15.130 -6.892 -3.538 1.00 0.00 N ATOM 1302 CZ ARG A 82 15.724 -6.528 -4.673 1.00 0.00 C ATOM 1303 NH1 ARG A 82 16.696 -5.621 -4.658 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.352 -7.079 -5.823 1.00 0.00 N ATOM 0 H ARG A 82 14.547 -3.649 1.671 1.00 0.00 H new ATOM 0 HA ARG A 82 12.466 -4.625 0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.923 -4.299 -0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.266 -5.763 0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.777 -7.042 -1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.443 -5.578 -2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.965 -5.367 -2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.120 -6.976 -1.695 1.00 0.00 H new ATOM 0 HE ARG A 82 14.415 -7.618 -3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.989 -5.202 -3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.149 -5.344 -5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.612 -7.781 -5.836 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.807 -6.801 -6.693 1.00 0.00 H new ATOM 1318 N THR A 83 13.542 -6.691 2.399 1.00 0.00 N ATOM 1319 CA THR A 83 13.258 -7.917 3.123 1.00 0.00 C ATOM 1320 C THR A 83 11.855 -7.884 3.732 1.00 0.00 C ATOM 1321 O THR A 83 11.041 -8.783 3.506 1.00 0.00 O ATOM 1322 CB THR A 83 14.314 -8.120 4.229 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.567 -8.490 3.640 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.883 -9.167 5.242 1.00 0.00 C ATOM 0 H THR A 83 14.330 -6.161 2.772 1.00 0.00 H new ATOM 0 HA THR A 83 13.300 -8.751 2.423 1.00 0.00 H new ATOM 0 HB THR A 83 14.423 -7.176 4.763 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.050 -7.683 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.656 -9.278 6.002 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.952 -8.855 5.714 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.732 -10.121 4.737 1.00 0.00 H new ATOM 1332 N GLU A 84 11.580 -6.836 4.501 1.00 0.00 N ATOM 1333 CA GLU A 84 10.294 -6.678 5.159 1.00 0.00 C ATOM 1334 C GLU A 84 9.143 -6.597 4.157 1.00 0.00 C ATOM 1335 O GLU A 84 8.051 -7.105 4.423 1.00 0.00 O ATOM 1336 CB GLU A 84 10.313 -5.451 6.065 1.00 0.00 C ATOM 1337 CG GLU A 84 11.431 -5.498 7.091 1.00 0.00 C ATOM 1338 CD GLU A 84 11.250 -4.501 8.211 1.00 0.00 C ATOM 1339 OE1 GLU A 84 11.889 -3.429 8.178 1.00 0.00 O ATOM 1340 OE2 GLU A 84 10.470 -4.793 9.141 1.00 0.00 O ATOM 0 H GLU A 84 12.239 -6.079 4.683 1.00 0.00 H new ATOM 0 HA GLU A 84 10.123 -7.565 5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.423 -4.555 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.356 -5.370 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.488 -6.502 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.381 -5.307 6.593 1.00 0.00 H new ATOM 1347 N VAL A 85 9.384 -5.960 3.012 1.00 0.00 N ATOM 1348 CA VAL A 85 8.406 -5.935 1.932 1.00 0.00 C ATOM 1349 C VAL A 85 8.116 -7.347 1.428 1.00 0.00 C ATOM 1350 O VAL A 85 6.959 -7.755 1.337 1.00 0.00 O ATOM 1351 CB VAL A 85 8.893 -5.065 0.752 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.069 -5.336 -0.496 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.831 -3.595 1.120 1.00 0.00 C ATOM 0 H VAL A 85 10.248 -5.456 2.811 1.00 0.00 H new ATOM 0 HA VAL A 85 7.492 -5.500 2.337 1.00 0.00 H new ATOM 0 HB VAL A 85 9.929 -5.328 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.430 -4.712 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.162 -6.386 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.022 -5.105 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.177 -2.994 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.803 -3.323 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.468 -3.409 1.985 1.00 0.00 H new ATOM 1363 N LEU A 86 9.177 -8.091 1.123 1.00 0.00 N ATOM 1364 CA LEU A 86 9.058 -9.442 0.582 1.00 0.00 C ATOM 1365 C LEU A 86 8.270 -10.358 1.513 1.00 0.00 C ATOM 1366 O LEU A 86 7.571 -11.262 1.060 1.00 0.00 O ATOM 1367 CB LEU A 86 10.441 -10.032 0.328 1.00 0.00 C ATOM 1368 CG LEU A 86 11.214 -9.383 -0.811 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.673 -9.796 -0.756 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.598 -9.764 -2.144 1.00 0.00 C ATOM 0 H LEU A 86 10.139 -7.776 1.243 1.00 0.00 H new ATOM 0 HA LEU A 86 8.513 -9.370 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.029 -9.948 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.333 -11.096 0.115 1.00 0.00 H new ATOM 0 HG LEU A 86 11.160 -8.300 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.216 -9.325 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.105 -9.480 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.748 -10.880 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.159 -9.294 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.629 -10.847 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.563 -9.425 -2.176 1.00 0.00 H new ATOM 1382 N LYS A 87 8.373 -10.106 2.812 1.00 0.00 N ATOM 1383 CA LYS A 87 7.652 -10.898 3.808 1.00 0.00 C ATOM 1384 C LYS A 87 6.150 -10.633 3.732 1.00 0.00 C ATOM 1385 O LYS A 87 5.342 -11.386 4.277 1.00 0.00 O ATOM 1386 CB LYS A 87 8.180 -10.587 5.214 1.00 0.00 C ATOM 1387 CG LYS A 87 9.567 -11.155 5.476 1.00 0.00 C ATOM 1388 CD LYS A 87 10.176 -10.614 6.762 1.00 0.00 C ATOM 1389 CE LYS A 87 9.314 -10.905 7.979 1.00 0.00 C ATOM 1390 NZ LYS A 87 9.931 -10.385 9.228 1.00 0.00 N ATOM 0 H LYS A 87 8.948 -9.360 3.203 1.00 0.00 H new ATOM 0 HA LYS A 87 7.820 -11.953 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.205 -9.506 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.485 -10.988 5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.508 -12.242 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.221 -10.915 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.163 -11.053 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.317 -9.537 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.331 -10.455 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.162 -11.981 8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.314 -10.602 10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.859 -10.833 9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.052 -9.355 9.152 1.00 0.00 H new ATOM 1404 N CYS A 88 5.788 -9.568 3.038 1.00 0.00 N ATOM 1405 CA CYS A 88 4.392 -9.193 2.868 1.00 0.00 C ATOM 1406 C CYS A 88 3.933 -9.442 1.428 1.00 0.00 C ATOM 1407 O CYS A 88 2.754 -9.286 1.103 1.00 0.00 O ATOM 1408 CB CYS A 88 4.202 -7.721 3.243 1.00 0.00 C ATOM 1409 SG CYS A 88 4.171 -7.400 5.038 1.00 0.00 S ATOM 0 H CYS A 88 6.448 -8.941 2.578 1.00 0.00 H new ATOM 0 HA CYS A 88 3.782 -9.810 3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.007 -7.138 2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.269 -7.365 2.806 1.00 0.00 H new ATOM 1414 N VAL A 89 4.873 -9.824 0.565 1.00 0.00 N ATOM 1415 CA VAL A 89 4.573 -10.097 -0.832 1.00 0.00 C ATOM 1416 C VAL A 89 4.029 -11.510 -1.011 1.00 0.00 C ATOM 1417 O VAL A 89 4.765 -12.494 -0.891 1.00 0.00 O ATOM 1418 CB VAL A 89 5.823 -9.918 -1.719 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.520 -10.310 -3.153 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.333 -8.486 -1.659 1.00 0.00 C ATOM 0 H VAL A 89 5.854 -9.951 0.815 1.00 0.00 H new ATOM 0 HA VAL A 89 3.813 -9.379 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 89 6.604 -10.575 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.413 -10.177 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.210 -11.354 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.719 -9.681 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.214 -8.387 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.555 -7.808 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.595 -8.236 -0.631 1.00 0.00 H new ATOM 1430 N ASP A 90 2.741 -11.600 -1.299 1.00 0.00 N ATOM 1431 CA ASP A 90 2.094 -12.888 -1.534 1.00 0.00 C ATOM 1432 C ASP A 90 1.797 -13.068 -3.017 1.00 0.00 C ATOM 1433 O ASP A 90 1.872 -12.116 -3.795 1.00 0.00 O ATOM 1434 CB ASP A 90 0.785 -13.006 -0.739 1.00 0.00 C ATOM 1435 CG ASP A 90 0.976 -12.893 0.761 1.00 0.00 C ATOM 1436 OD1 ASP A 90 1.869 -13.569 1.311 1.00 0.00 O ATOM 1437 OD2 ASP A 90 0.211 -12.141 1.401 1.00 0.00 O ATOM 0 H ASP A 90 2.118 -10.796 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 90 2.779 -13.667 -1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.097 -12.228 -1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.316 -13.963 -0.966 1.00 0.00 H new ATOM 1442 N LYS A 91 1.458 -14.294 -3.393 1.00 0.00 N ATOM 1443 CA LYS A 91 1.090 -14.615 -4.768 1.00 0.00 C ATOM 1444 C LYS A 91 -0.403 -14.393 -4.971 1.00 0.00 C ATOM 1445 O LYS A 91 -1.176 -14.407 -4.010 1.00 0.00 O ATOM 1446 CB LYS A 91 1.438 -16.069 -5.092 1.00 0.00 C ATOM 1447 CG LYS A 91 2.814 -16.488 -4.606 1.00 0.00 C ATOM 1448 CD LYS A 91 3.197 -17.886 -5.083 1.00 0.00 C ATOM 1449 CE LYS A 91 2.570 -18.994 -4.242 1.00 0.00 C ATOM 1450 NZ LYS A 91 1.095 -19.094 -4.417 1.00 0.00 N ATOM 0 H LYS A 91 1.430 -15.092 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 91 1.650 -13.961 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.689 -16.722 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.383 -16.215 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.555 -15.771 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.836 -16.460 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.889 -18.007 -6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.282 -17.988 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.027 -19.947 -4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.794 -18.815 -3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.808 -20.093 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.619 -18.565 -3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.827 -18.694 -5.339 1.00 0.00 H new ATOM 1464 N ASN A 92 -0.801 -14.195 -6.223 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.200 -13.926 -6.553 1.00 0.00 C ATOM 1466 C ASN A 92 -3.022 -15.206 -6.557 1.00 0.00 C ATOM 1467 O ASN A 92 -3.366 -15.739 -7.613 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.319 -13.243 -7.914 1.00 0.00 C ATOM 1469 CG ASN A 92 -3.741 -12.787 -8.217 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -4.540 -12.547 -7.310 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.059 -12.655 -9.496 1.00 0.00 N ATOM 0 H ASN A 92 -0.175 -14.215 -7.028 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.590 -13.260 -5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.651 -12.382 -7.944 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.988 -13.931 -8.692 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.994 -12.345 -9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.369 -12.864 -10.217 1.00 0.00 H new ATOM 1478 N THR A 93 -3.316 -15.703 -5.369 1.00 0.00 N ATOM 1479 CA THR A 93 -4.189 -16.851 -5.218 1.00 0.00 C ATOM 1480 C THR A 93 -5.638 -16.398 -5.070 1.00 0.00 C ATOM 1481 O THR A 93 -6.574 -17.172 -5.280 1.00 0.00 O ATOM 1482 CB THR A 93 -3.779 -17.685 -3.990 1.00 0.00 C ATOM 1483 OG1 THR A 93 -3.778 -16.864 -2.812 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.398 -18.279 -4.190 1.00 0.00 C ATOM 0 H THR A 93 -2.960 -15.326 -4.490 1.00 0.00 H new ATOM 0 HA THR A 93 -4.097 -17.469 -6.111 1.00 0.00 H new ATOM 0 HB THR A 93 -4.501 -18.493 -3.868 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.518 -17.404 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.124 -18.865 -3.313 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.403 -18.922 -5.070 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.674 -17.477 -4.331 1.00 0.00 H new ATOM 1492 N ASP A 94 -5.806 -15.129 -4.719 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.125 -14.558 -4.465 1.00 0.00 C ATOM 1494 C ASP A 94 -7.889 -14.341 -5.761 1.00 0.00 C ATOM 1495 O ASP A 94 -9.114 -14.448 -5.797 1.00 0.00 O ATOM 1496 CB ASP A 94 -6.992 -13.216 -3.743 1.00 0.00 C ATOM 1497 CG ASP A 94 -6.148 -13.303 -2.496 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -6.718 -13.302 -1.386 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -4.909 -13.367 -2.616 1.00 0.00 O ATOM 0 H ASP A 94 -5.037 -14.469 -4.603 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.673 -15.265 -3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.553 -12.485 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.985 -12.851 -3.479 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.134 -14.062 -6.823 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.688 -13.754 -8.142 1.00 0.00 C ATOM 1506 C ASN A 95 -8.469 -12.442 -8.138 1.00 0.00 C ATOM 1507 O ASN A 95 -9.301 -12.200 -9.010 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.560 -14.897 -8.664 1.00 0.00 C ATOM 1509 CG ASN A 95 -7.740 -16.066 -9.168 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.387 -16.127 -10.347 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -7.433 -17.000 -8.286 1.00 0.00 N ATOM 0 H ASN A 95 -6.115 -14.043 -6.793 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.842 -13.635 -8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.222 -15.238 -7.868 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.194 -14.528 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.884 -17.810 -8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.745 -16.911 -7.319 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.185 -11.593 -7.158 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.777 -10.259 -7.096 1.00 0.00 C ATOM 1520 C ASN A 96 -7.710 -9.256 -6.695 1.00 0.00 C ATOM 1521 O ASN A 96 -7.152 -9.334 -5.599 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.954 -10.171 -6.104 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.267 -11.471 -5.390 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -9.715 -11.753 -4.328 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.170 -12.259 -5.950 1.00 0.00 N ATOM 0 H ASN A 96 -7.546 -11.804 -6.392 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.172 -10.035 -8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -9.730 -9.406 -5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -10.843 -9.842 -6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.431 -13.136 -5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.605 -11.989 -6.832 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.437 -8.315 -7.590 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.374 -7.339 -7.394 1.00 0.00 C ATOM 1534 C ALA A 97 -6.616 -6.476 -6.161 1.00 0.00 C ATOM 1535 O ALA A 97 -5.667 -6.033 -5.515 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.231 -6.462 -8.626 1.00 0.00 C ATOM 0 H ALA A 97 -7.944 -8.207 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.448 -7.891 -7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.433 -5.737 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.989 -7.083 -9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.168 -5.936 -8.809 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.882 -6.239 -5.833 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.222 -5.425 -4.670 1.00 0.00 C ATOM 1544 C CYS A 98 -7.766 -6.101 -3.381 1.00 0.00 C ATOM 1545 O CYS A 98 -7.179 -5.459 -2.512 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.728 -5.153 -4.604 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.409 -4.323 -6.075 1.00 0.00 S ATOM 0 H CYS A 98 -8.685 -6.596 -6.351 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.701 -4.474 -4.776 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.250 -6.099 -4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.936 -4.540 -3.727 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.004 -7.403 -3.270 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.684 -8.125 -2.046 1.00 0.00 C ATOM 1554 C HIS A 99 -6.195 -8.446 -1.996 1.00 0.00 C ATOM 1555 O HIS A 99 -5.611 -8.582 -0.921 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.511 -9.413 -1.950 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.517 -10.026 -0.581 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -8.058 -11.299 -0.312 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.952 -9.533 0.604 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -8.213 -11.557 0.972 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.750 -10.503 1.552 1.00 0.00 N ATOM 0 H HIS A 99 -8.414 -7.976 -4.007 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.933 -7.491 -1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.538 -9.198 -2.246 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.119 -10.140 -2.662 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -7.661 -11.940 -0.999 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.379 -8.555 0.771 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.944 -12.479 1.466 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.593 -8.553 -3.173 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.170 -8.853 -3.292 1.00 0.00 C ATOM 1572 C TRP A 100 -3.334 -7.678 -2.779 1.00 0.00 C ATOM 1573 O TRP A 100 -2.494 -7.837 -1.891 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.823 -9.160 -4.758 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.433 -9.689 -4.969 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.540 -10.073 -4.009 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.788 -9.912 -6.229 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.379 -10.509 -4.596 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.508 -10.427 -5.956 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.169 -9.727 -7.563 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.393 -10.759 -6.966 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.276 -10.058 -8.563 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.009 -10.570 -8.263 1.00 0.00 C ATOM 0 H TRP A 100 -6.071 -8.436 -4.066 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.940 -9.728 -2.685 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.538 -9.887 -5.143 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.946 -8.250 -5.346 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.721 -10.038 -2.945 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.447 -10.841 -4.099 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.144 -9.332 -7.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.373 -11.151 -6.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.561 -9.919 -9.595 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.665 -10.821 -9.068 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.595 -6.496 -3.330 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.873 -5.287 -2.946 1.00 0.00 C ATOM 1596 C ALA A 101 -3.131 -4.939 -1.490 1.00 0.00 C ATOM 1597 O ALA A 101 -2.231 -4.499 -0.772 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.284 -4.126 -3.836 1.00 0.00 C ATOM 0 H ALA A 101 -4.305 -6.350 -4.048 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.807 -5.475 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.739 -3.230 -3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.054 -4.364 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.355 -3.950 -3.733 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.364 -5.159 -1.062 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.778 -4.801 0.280 1.00 0.00 C ATOM 1606 C PHE A 102 -4.053 -5.640 1.324 1.00 0.00 C ATOM 1607 O PHE A 102 -3.722 -5.145 2.398 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.290 -4.953 0.428 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.814 -4.518 1.772 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.844 -3.173 2.112 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.281 -5.448 2.692 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.326 -2.765 3.340 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.763 -5.042 3.922 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.786 -3.699 4.246 1.00 0.00 C ATOM 0 H PHE A 102 -5.096 -5.586 -1.629 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.512 -3.757 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.783 -4.370 -0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.559 -5.996 0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.486 -2.437 1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.267 -6.499 2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.343 -1.715 3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -8.122 -5.774 4.630 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.163 -3.381 5.207 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.788 -6.904 1.005 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.126 -7.788 1.955 1.00 0.00 C ATOM 1626 C ARG A 103 -1.660 -7.400 2.102 1.00 0.00 C ATOM 1627 O ARG A 103 -1.092 -7.498 3.189 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.248 -9.251 1.534 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.777 -10.208 2.622 1.00 0.00 C ATOM 1630 CD ARG A 103 -3.055 -11.665 2.286 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.517 -12.047 0.984 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.260 -12.526 -0.014 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -4.557 -12.744 0.165 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -2.708 -12.816 -1.185 1.00 0.00 N ATOM 0 H ARG A 103 -4.018 -7.333 0.109 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.622 -7.676 2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.287 -9.470 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.662 -9.416 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.707 -10.074 2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.271 -9.956 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.621 -12.302 3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.131 -11.839 2.297 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.514 -11.941 0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.988 -12.545 1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.123 -13.110 -0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.708 -12.673 -1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.283 -13.182 -1.943 1.00 0.00 H new ATOM 1648 N GLY A 104 -1.064 -6.942 1.005 1.00 0.00 N ATOM 1649 CA GLY A 104 0.311 -6.478 1.046 1.00 0.00 C ATOM 1650 C GLY A 104 0.458 -5.246 1.916 1.00 0.00 C ATOM 1651 O GLY A 104 1.331 -5.185 2.784 1.00 0.00 O ATOM 0 H GLY A 104 -1.509 -6.884 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.952 -7.272 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.650 -6.253 0.035 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.419 -4.271 1.691 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.407 -3.028 2.449 1.00 0.00 C ATOM 1657 C PHE A 105 -0.718 -3.287 3.919 1.00 0.00 C ATOM 1658 O PHE A 105 -0.013 -2.808 4.806 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.413 -2.044 1.847 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.678 -0.835 2.702 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.973 -0.477 3.046 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.628 -0.056 3.160 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.212 0.634 3.830 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.864 1.054 3.945 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.156 1.401 4.278 1.00 0.00 C ATOM 0 H PHE A 105 -1.152 -4.321 0.983 1.00 0.00 H new ATOM 0 HA PHE A 105 0.590 -2.591 2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.045 -1.715 0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.354 -2.565 1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.803 -1.073 2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.386 -0.320 2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.225 0.903 4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.036 1.651 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.341 2.272 4.889 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.760 -4.071 4.161 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.218 -4.363 5.517 1.00 0.00 C ATOM 1677 C LYS A 106 -1.138 -5.096 6.315 1.00 0.00 C ATOM 1678 O LYS A 106 -0.923 -4.809 7.492 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.525 -5.170 5.466 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.808 -6.009 6.697 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.065 -6.842 6.511 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.301 -7.776 7.687 1.00 0.00 C ATOM 1683 NZ LYS A 106 -4.211 -8.775 7.835 1.00 0.00 N ATOM 0 H LYS A 106 -2.310 -4.521 3.429 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.416 -3.423 6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.355 -4.480 5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.496 -5.826 4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.960 -6.664 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.923 -5.360 7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.924 -6.182 6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.982 -7.425 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.383 -7.191 8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.251 -8.294 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.510 -9.520 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.000 -9.199 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.359 -8.307 8.204 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.455 -6.025 5.656 1.00 0.00 N ATOM 1698 CA CYS A 107 0.627 -6.778 6.277 1.00 0.00 C ATOM 1699 C CYS A 107 1.755 -5.851 6.716 1.00 0.00 C ATOM 1700 O CYS A 107 2.252 -5.936 7.842 1.00 0.00 O ATOM 1701 CB CYS A 107 1.153 -7.829 5.287 1.00 0.00 C ATOM 1702 SG CYS A 107 2.724 -8.628 5.766 1.00 0.00 S ATOM 0 H CYS A 107 -0.634 -6.276 4.684 1.00 0.00 H new ATOM 0 HA CYS A 107 0.241 -7.278 7.165 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.394 -8.601 5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.286 -7.355 4.315 1.00 0.00 H new ATOM 1707 N PHE A 108 2.128 -4.940 5.829 1.00 0.00 N ATOM 1708 CA PHE A 108 3.282 -4.093 6.050 1.00 0.00 C ATOM 1709 C PHE A 108 2.985 -3.018 7.095 1.00 0.00 C ATOM 1710 O PHE A 108 3.771 -2.812 8.015 1.00 0.00 O ATOM 1711 CB PHE A 108 3.714 -3.461 4.728 1.00 0.00 C ATOM 1712 CG PHE A 108 5.124 -2.941 4.732 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.176 -3.767 4.362 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.402 -1.635 5.099 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.473 -3.297 4.357 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.700 -1.162 5.095 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.736 -1.994 4.723 1.00 0.00 C ATOM 0 H PHE A 108 1.644 -4.771 4.947 1.00 0.00 H new ATOM 0 HA PHE A 108 4.097 -4.706 6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.612 -4.200 3.933 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.036 -2.641 4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.977 -4.789 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.595 -0.979 5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.283 -3.950 4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.904 -0.141 5.383 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.751 -1.625 4.719 1.00 0.00 H new ATOM 1727 N GLN A 109 1.836 -2.356 6.968 1.00 0.00 N ATOM 1728 CA GLN A 109 1.476 -1.259 7.867 1.00 0.00 C ATOM 1729 C GLN A 109 1.255 -1.748 9.294 1.00 0.00 C ATOM 1730 O GLN A 109 1.518 -1.024 10.249 1.00 0.00 O ATOM 1731 CB GLN A 109 0.231 -0.519 7.352 1.00 0.00 C ATOM 1732 CG GLN A 109 -1.057 -1.333 7.367 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.991 -0.941 8.500 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.554 -0.500 9.558 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.288 -1.100 8.282 1.00 0.00 N ATOM 0 H GLN A 109 1.138 -2.559 6.252 1.00 0.00 H new ATOM 0 HA GLN A 109 2.314 -0.562 7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.084 0.376 7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.421 -0.187 6.331 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.574 -1.204 6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.811 -2.391 7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.613 -1.470 7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.961 -0.853 9.007 1.00 0.00 H new ATOM 1744 N LYS A 110 0.810 -2.991 9.432 1.00 0.00 N ATOM 1745 CA LYS A 110 0.501 -3.552 10.736 1.00 0.00 C ATOM 1746 C LYS A 110 1.772 -3.724 11.566 1.00 0.00 C ATOM 1747 O LYS A 110 1.723 -3.848 12.790 1.00 0.00 O ATOM 1748 CB LYS A 110 -0.203 -4.896 10.553 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.700 -5.512 11.844 1.00 0.00 C ATOM 1750 CD LYS A 110 -1.535 -6.756 11.589 1.00 0.00 C ATOM 1751 CE LYS A 110 -2.129 -7.302 12.879 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.986 -8.492 12.639 1.00 0.00 N ATOM 0 H LYS A 110 0.655 -3.630 8.652 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.158 -2.868 11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.048 -4.763 9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.484 -5.592 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.150 -5.768 12.476 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.295 -4.780 12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.337 -6.520 10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.916 -7.521 11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.324 -7.568 13.564 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.718 -6.524 13.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.370 -8.831 13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.769 -8.234 12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.419 -9.245 12.199 1.00 0.00 H new ATOM 1766 N ASN A 111 2.911 -3.727 10.895 1.00 0.00 N ATOM 1767 CA ASN A 111 4.185 -3.914 11.572 1.00 0.00 C ATOM 1768 C ASN A 111 5.091 -2.700 11.397 1.00 0.00 C ATOM 1769 O ASN A 111 5.870 -2.366 12.287 1.00 0.00 O ATOM 1770 CB ASN A 111 4.891 -5.169 11.051 1.00 0.00 C ATOM 1771 CG ASN A 111 4.098 -6.440 11.303 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.256 -7.090 12.337 1.00 0.00 O ATOM 1773 ND2 ASN A 111 3.244 -6.810 10.361 1.00 0.00 N ATOM 0 H ASN A 111 2.981 -3.603 9.885 1.00 0.00 H new ATOM 0 HA ASN A 111 3.978 -4.035 12.635 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.067 -5.063 9.981 1.00 0.00 H new ATOM 0 HB3 ASN A 111 5.867 -5.255 11.528 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.691 -7.659 10.479 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.140 -6.246 9.517 1.00 0.00 H new ATOM 1780 N ASN A 112 4.972 -2.029 10.260 1.00 0.00 N ATOM 1781 CA ASN A 112 5.884 -0.943 9.914 1.00 0.00 C ATOM 1782 C ASN A 112 5.136 0.271 9.377 1.00 0.00 C ATOM 1783 O ASN A 112 5.406 0.734 8.270 1.00 0.00 O ATOM 1784 CB ASN A 112 6.885 -1.420 8.861 1.00 0.00 C ATOM 1785 CG ASN A 112 7.903 -2.397 9.412 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.400 -2.238 10.526 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.203 -3.432 8.646 1.00 0.00 N ATOM 0 H ASN A 112 4.254 -2.216 9.560 1.00 0.00 H new ATOM 0 HA ASN A 112 6.406 -0.649 10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.344 -1.892 8.041 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.406 -0.557 8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.868 -4.133 8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.770 -3.529 7.728 1.00 0.00 H new ATOM 1794 N LEU A 113 4.210 0.802 10.164 1.00 0.00 N ATOM 1795 CA LEU A 113 3.415 1.941 9.717 1.00 0.00 C ATOM 1796 C LEU A 113 4.225 3.235 9.782 1.00 0.00 C ATOM 1797 O LEU A 113 4.068 4.124 8.941 1.00 0.00 O ATOM 1798 CB LEU A 113 2.133 2.069 10.542 1.00 0.00 C ATOM 1799 CG LEU A 113 1.262 3.276 10.208 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.765 3.183 8.774 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.094 3.362 11.177 1.00 0.00 C ATOM 0 H LEU A 113 3.991 0.469 11.103 1.00 0.00 H new ATOM 0 HA LEU A 113 3.138 1.766 8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.540 1.165 10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.402 2.117 11.597 1.00 0.00 H new ATOM 0 HG LEU A 113 1.859 4.182 10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.144 4.050 8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.617 3.159 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.177 2.274 8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.521 4.227 10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.507 2.456 11.103 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.472 3.465 12.194 1.00 0.00 H new ATOM 1813 N SER A 114 5.109 3.327 10.769 1.00 0.00 N ATOM 1814 CA SER A 114 5.951 4.507 10.936 1.00 0.00 C ATOM 1815 C SER A 114 6.909 4.641 9.750 1.00 0.00 C ATOM 1816 O SER A 114 7.274 5.749 9.350 1.00 0.00 O ATOM 1817 CB SER A 114 6.732 4.414 12.252 1.00 0.00 C ATOM 1818 OG SER A 114 7.429 5.619 12.535 1.00 0.00 O ATOM 0 H SER A 114 5.262 2.598 11.466 1.00 0.00 H new ATOM 0 HA SER A 114 5.318 5.394 10.971 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.045 4.191 13.068 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.441 3.588 12.197 1.00 0.00 H new ATOM 0 HG SER A 114 7.914 5.525 13.381 1.00 0.00 H new ATOM 1824 N LEU A 115 7.298 3.503 9.184 1.00 0.00 N ATOM 1825 CA LEU A 115 8.154 3.483 8.006 1.00 0.00 C ATOM 1826 C LEU A 115 7.395 4.001 6.788 1.00 0.00 C ATOM 1827 O LEU A 115 7.956 4.687 5.935 1.00 0.00 O ATOM 1828 CB LEU A 115 8.668 2.061 7.758 1.00 0.00 C ATOM 1829 CG LEU A 115 9.494 1.870 6.485 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.702 2.781 6.503 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.932 0.421 6.346 1.00 0.00 C ATOM 0 H LEU A 115 7.032 2.579 9.525 1.00 0.00 H new ATOM 0 HA LEU A 115 9.008 4.138 8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.274 1.759 8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.813 1.386 7.720 1.00 0.00 H new ATOM 0 HG LEU A 115 8.872 2.128 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.281 2.635 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.374 3.819 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.322 2.546 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.518 0.304 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.539 0.140 7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.053 -0.222 6.297 1.00 0.00 H new ATOM 1843 N ILE A 116 6.108 3.688 6.730 1.00 0.00 N ATOM 1844 CA ILE A 116 5.265 4.111 5.623 1.00 0.00 C ATOM 1845 C ILE A 116 5.065 5.623 5.648 1.00 0.00 C ATOM 1846 O ILE A 116 5.153 6.292 4.617 1.00 0.00 O ATOM 1847 CB ILE A 116 3.891 3.408 5.669 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.066 1.892 5.578 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.994 3.906 4.547 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.758 1.139 5.594 1.00 0.00 C ATOM 0 H ILE A 116 5.624 3.140 7.441 1.00 0.00 H new ATOM 0 HA ILE A 116 5.770 3.830 4.699 1.00 0.00 H new ATOM 0 HB ILE A 116 3.415 3.648 6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.606 1.650 4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.683 1.554 6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 116 2.031 3.398 4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.843 4.980 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.464 3.697 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.953 0.069 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.226 1.353 6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.148 1.451 4.746 1.00 0.00 H new ATOM 1862 N LYS A 117 4.817 6.154 6.836 1.00 0.00 N ATOM 1863 CA LYS A 117 4.614 7.585 7.012 1.00 0.00 C ATOM 1864 C LYS A 117 5.893 8.360 6.707 1.00 0.00 C ATOM 1865 O LYS A 117 5.852 9.463 6.161 1.00 0.00 O ATOM 1866 CB LYS A 117 4.143 7.877 8.433 1.00 0.00 C ATOM 1867 CG LYS A 117 2.711 7.429 8.695 1.00 0.00 C ATOM 1868 CD LYS A 117 2.291 7.713 10.129 1.00 0.00 C ATOM 1869 CE LYS A 117 0.816 7.417 10.353 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.401 7.707 11.751 1.00 0.00 N ATOM 0 H LYS A 117 4.751 5.612 7.697 1.00 0.00 H new ATOM 0 HA LYS A 117 3.846 7.911 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.808 7.378 9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.222 8.948 8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.037 7.942 8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.620 6.362 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.891 7.109 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.493 8.757 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.217 8.013 9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.616 6.370 10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.610 7.493 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.955 7.120 12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.568 8.712 11.961 1.00 0.00 H new ATOM 1884 N ALA A 118 7.028 7.770 7.062 1.00 0.00 N ATOM 1885 CA ALA A 118 8.327 8.361 6.774 1.00 0.00 C ATOM 1886 C ALA A 118 8.623 8.330 5.280 1.00 0.00 C ATOM 1887 O ALA A 118 9.269 9.228 4.746 1.00 0.00 O ATOM 1888 CB ALA A 118 9.406 7.620 7.535 1.00 0.00 C ATOM 0 H ALA A 118 7.074 6.877 7.553 1.00 0.00 H new ATOM 0 HA ALA A 118 8.310 9.403 7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.377 8.065 7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.208 7.687 8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.411 6.573 7.232 1.00 0.00 H new ATOM 1894 N SER A 119 8.145 7.287 4.621 1.00 0.00 N ATOM 1895 CA SER A 119 8.349 7.107 3.190 1.00 0.00 C ATOM 1896 C SER A 119 7.821 8.297 2.388 1.00 0.00 C ATOM 1897 O SER A 119 8.491 8.794 1.482 1.00 0.00 O ATOM 1898 CB SER A 119 7.660 5.822 2.731 1.00 0.00 C ATOM 1899 OG SER A 119 7.878 5.583 1.355 1.00 0.00 O ATOM 0 H SER A 119 7.605 6.542 5.061 1.00 0.00 H new ATOM 0 HA SER A 119 9.422 7.037 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.034 4.979 3.312 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.590 5.892 2.925 1.00 0.00 H new ATOM 0 HG SER A 119 7.113 5.098 0.982 1.00 0.00 H new ATOM 1905 N ILE A 120 6.626 8.757 2.731 1.00 0.00 N ATOM 1906 CA ILE A 120 5.996 9.855 2.010 1.00 0.00 C ATOM 1907 C ILE A 120 6.399 11.208 2.585 1.00 0.00 C ATOM 1908 O ILE A 120 5.960 12.254 2.104 1.00 0.00 O ATOM 1909 CB ILE A 120 4.459 9.736 2.036 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.964 9.572 3.471 1.00 0.00 C ATOM 1911 CG2 ILE A 120 4.005 8.569 1.176 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.465 9.686 3.611 1.00 0.00 C ATOM 0 H ILE A 120 6.073 8.387 3.504 1.00 0.00 H new ATOM 0 HA ILE A 120 6.344 9.789 0.979 1.00 0.00 H new ATOM 0 HB ILE A 120 4.031 10.651 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.283 8.600 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.437 10.327 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.918 8.498 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.332 8.726 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.439 7.645 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.187 9.559 4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.141 10.668 3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.984 8.914 3.011 1.00 0.00 H new ATOM 1924 N LYS A 121 7.232 11.187 3.616 1.00 0.00 N ATOM 1925 CA LYS A 121 7.670 12.414 4.250 1.00 0.00 C ATOM 1926 C LYS A 121 8.803 13.062 3.466 1.00 0.00 C ATOM 1927 O LYS A 121 9.857 12.458 3.250 1.00 0.00 O ATOM 1928 CB LYS A 121 8.116 12.151 5.686 1.00 0.00 C ATOM 1929 CG LYS A 121 8.505 13.419 6.422 1.00 0.00 C ATOM 1930 CD LYS A 121 8.913 13.152 7.858 1.00 0.00 C ATOM 1931 CE LYS A 121 9.189 14.454 8.593 1.00 0.00 C ATOM 1932 NZ LYS A 121 7.989 15.335 8.625 1.00 0.00 N ATOM 0 H LYS A 121 7.615 10.335 4.027 1.00 0.00 H new ATOM 0 HA LYS A 121 6.822 13.099 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 121 7.310 11.655 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.964 11.466 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.329 13.902 5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.666 14.115 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.123 12.602 8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.803 12.523 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.507 14.236 9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 121 10.012 14.978 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.119 16.072 9.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.861 15.781 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.148 14.768 8.856 1.00 0.00 H new ATOM 1946 N LYS A 122 8.574 14.294 3.043 1.00 0.00 N ATOM 1947 CA LYS A 122 9.579 15.069 2.336 1.00 0.00 C ATOM 1948 C LYS A 122 9.298 16.550 2.511 1.00 0.00 C ATOM 1949 O LYS A 122 8.194 17.022 2.237 1.00 0.00 O ATOM 1950 CB LYS A 122 9.603 14.732 0.847 1.00 0.00 C ATOM 1951 CG LYS A 122 10.996 14.479 0.300 1.00 0.00 C ATOM 1952 CD LYS A 122 10.969 14.233 -1.199 1.00 0.00 C ATOM 1953 CE LYS A 122 12.372 14.213 -1.786 1.00 0.00 C ATOM 1954 NZ LYS A 122 13.087 15.497 -1.554 1.00 0.00 N ATOM 0 H LYS A 122 7.690 14.783 3.179 1.00 0.00 H new ATOM 0 HA LYS A 122 10.552 14.818 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.988 13.849 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.147 15.551 0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 122 11.635 15.335 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 122 11.435 13.618 0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 122 10.474 13.284 -1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 122 10.381 15.011 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 122 12.940 13.395 -1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 122 12.315 14.017 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 13.872 15.584 -2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 12.427 16.290 -1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 13.462 15.515 -0.584 1.00 0.00 H new ATOM 1968 N ASP A 123 10.295 17.271 2.990 1.00 0.00 N ATOM 1969 CA ASP A 123 10.176 18.703 3.180 1.00 0.00 C ATOM 1970 C ASP A 123 11.537 19.357 3.009 1.00 0.00 C ATOM 1971 O ASP A 123 11.849 19.795 1.883 1.00 0.00 O ATOM 1972 CB ASP A 123 9.607 19.005 4.563 1.00 0.00 C ATOM 1973 CG ASP A 123 9.280 20.471 4.751 1.00 0.00 C ATOM 1974 OD1 ASP A 123 10.079 21.195 5.381 1.00 0.00 O ATOM 1975 OD2 ASP A 123 8.212 20.906 4.271 1.00 0.00 O ATOM 1976 OXT ASP A 123 12.311 19.395 3.989 1.00 0.00 O ATOM 0 H ASP A 123 11.201 16.885 3.256 1.00 0.00 H new ATOM 0 HA ASP A 123 9.494 19.109 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 123 8.705 18.413 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 123 10.325 18.697 5.323 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.222 6.589 2.837 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.433 5.361 2.453 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.632 5.645 1.188 1.00 0.00 C HETATM 1985 C4 ACD A 201 -1.936 4.386 0.682 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.154 3.754 1.801 1.00 0.00 C HETATM 1987 C6 ACD A 201 0.092 4.105 2.009 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.707 5.220 1.203 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.968 5.710 1.865 1.00 0.00 C HETATM 1990 C9 ACD A 201 3.136 5.258 1.476 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.226 4.303 0.318 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.620 3.731 0.236 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.796 2.443 0.090 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.617 1.535 -0.107 1.00 0.00 C HETATM 1995 C14 ACD A 201 3.114 1.073 1.235 1.00 0.00 C HETATM 1996 C15 ACD A 201 3.031 -0.206 1.498 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.541 -1.211 0.499 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.633 -2.585 1.150 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.853 -3.677 0.108 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.000 -5.038 0.782 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.093 -6.155 -0.250 1.00 0.00 C HETATM 2002 O1 ACD A 201 -3.907 7.206 3.875 1.00 0.00 O HETATM 2003 O2 ACD A 201 -5.146 6.953 2.091 1.00 0.00 O HETATM 0 H203 ACD A 201 3.189 -6.164 -0.859 1.00 0.00 H new HETATM 0 H202 ACD A 201 4.960 -5.988 -0.890 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.197 -7.113 0.259 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.892 -5.042 1.408 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.148 -5.216 1.439 1.00 0.00 H new HETATM 0 H182 ACD A 201 3.014 -3.698 -0.588 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.746 -3.456 -0.476 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.452 -2.595 1.869 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.718 -2.789 1.706 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.875 -1.251 -0.363 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.521 -0.907 0.131 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.826 2.059 -0.644 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.902 0.677 -0.716 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.500 3.499 0.440 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.979 4.818 -0.610 1.00 0.00 H new HETATM 0 H9 ACD A 201 4.042 5.575 1.992 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.910 6.443 2.670 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.930 4.869 0.195 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.003 6.041 1.105 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.684 3.590 2.766 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.623 3.005 2.439 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.673 3.681 0.297 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.270 4.634 -0.145 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.294 6.033 0.414 1.00 0.00 H new HETATM 0 H31 ACD A 201 -1.890 6.418 1.390 1.00 0.00 H new HETATM 0 H22 ACD A 201 -2.763 5.078 3.265 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.107 4.520 2.288 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.594 -0.543 2.438 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.819 1.804 1.988 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.803 2.027 0.111 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.483 4.393 0.299 1.00 0.00 H new