USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 916 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc= 0.837 K(o=1.6,f=-2.7!) USER MOD Set 1.2: A 72 THR OG1 : rot -74:sc= 0.797 USER MOD Set 2.1: A 38 SER OG : rot -54:sc= 0.477 USER MOD Set 2.2: A 40 ASN :FLIP amide:sc= 0.407 F(o=-1.8!,f=0.88) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.179 USER MOD Set 3.2: A 34 THR OG1 : rot -92:sc= 0.207 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0725 (180deg=-0.453) USER MOD Single : A 1 MET N :NH3+ 139:sc= 1.06 (180deg=0.289) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 13 GLN : amide:sc= -0.933 K(o=-0.93,f=-2.3) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.6! USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0425) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -120:sc= -0.191 USER MOD Single : A 22 THR OG1 : rot -55:sc= 0.599 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc=-0.00998 X(o=-0.01,f=0) USER MOD Single : A 41 MET CE :methyl 154:sc= -0.0555 (180deg=-0.384) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -140:sc= -1.03 (180deg=-3.36!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 130:sc= -1.55! USER MOD Single : A 58 THR OG1 : rot -150:sc= 0.344 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 171:sc=-0.00954 (180deg=-0.099) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= 0.239 (180deg=0.038) USER MOD Single : A 78 SER OG : rot 150:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.266 F(o=-1.3,f=-0.27) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot -61:sc= 0.468 USER MOD Single : A 106 CYS SG : rot -1:sc= -4.42! USER MOD Single : A 112 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0652) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.329 -26.186 12.332 1.00 0.00 N ATOM 2 CA MET A 1 7.283 -25.116 11.954 1.00 0.00 C ATOM 3 C MET A 1 6.670 -24.301 10.808 1.00 0.00 C ATOM 4 O MET A 1 6.467 -24.836 9.714 1.00 0.00 O ATOM 5 CB MET A 1 8.662 -25.706 11.531 1.00 0.00 C ATOM 6 CG MET A 1 9.349 -26.584 12.590 1.00 0.00 C ATOM 7 SD MET A 1 8.426 -28.101 12.947 1.00 0.00 S ATOM 8 CE MET A 1 8.447 -28.952 11.366 1.00 0.00 C ATOM 0 H1 MET A 1 6.850 -27.068 12.513 1.00 0.00 H new ATOM 0 H2 MET A 1 5.815 -25.905 13.191 1.00 0.00 H new ATOM 0 H3 MET A 1 5.652 -26.337 11.557 1.00 0.00 H new ATOM 0 HA MET A 1 7.462 -24.473 12.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.524 -26.297 10.625 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.329 -24.883 11.276 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.350 -26.845 12.246 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.468 -26.011 13.510 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.191 -30.001 11.514 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.720 -28.493 10.696 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.442 -28.879 10.927 1.00 0.00 H new ATOM 20 N ASN A 2 6.319 -23.032 11.078 1.00 0.00 N ATOM 21 CA ASN A 2 5.754 -22.128 10.053 1.00 0.00 C ATOM 22 C ASN A 2 6.792 -21.850 8.955 1.00 0.00 C ATOM 23 O ASN A 2 7.752 -21.098 9.164 1.00 0.00 O ATOM 24 CB ASN A 2 5.236 -20.811 10.689 1.00 0.00 C ATOM 25 CG ASN A 2 3.970 -21.017 11.540 1.00 0.00 C ATOM 26 OD1 ASN A 2 3.125 -21.863 11.230 1.00 0.00 O ATOM 27 ND2 ASN A 2 3.823 -20.252 12.612 1.00 0.00 N ATOM 0 H ASN A 2 6.416 -22.605 11.999 1.00 0.00 H new ATOM 0 HA ASN A 2 4.898 -22.623 9.594 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.020 -20.380 11.311 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.024 -20.090 9.899 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.998 -20.355 13.203 1.00 0.00 H new ATOM 0 HD22 ASN A 2 4.535 -19.561 12.847 1.00 0.00 H new ATOM 34 N ILE A 3 6.575 -22.483 7.782 1.00 0.00 N ATOM 35 CA ILE A 3 7.518 -22.466 6.639 1.00 0.00 C ATOM 36 C ILE A 3 7.516 -21.080 5.927 1.00 0.00 C ATOM 37 O ILE A 3 8.385 -20.790 5.091 1.00 0.00 O ATOM 38 CB ILE A 3 7.179 -23.628 5.613 1.00 0.00 C ATOM 39 CG1 ILE A 3 7.006 -25.003 6.345 1.00 0.00 C ATOM 40 CG2 ILE A 3 8.260 -23.752 4.500 1.00 0.00 C ATOM 41 CD1 ILE A 3 8.255 -25.526 7.036 1.00 0.00 C ATOM 0 H ILE A 3 5.732 -23.026 7.598 1.00 0.00 H new ATOM 0 HA ILE A 3 8.521 -22.638 7.030 1.00 0.00 H new ATOM 0 HB ILE A 3 6.233 -23.362 5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.213 -24.905 7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.674 -25.745 5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.990 -24.559 3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.321 -22.815 3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.227 -23.969 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.034 -26.481 7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.048 -25.662 6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 3 8.580 -24.810 7.791 1.00 0.00 H new ATOM 53 N GLY A 4 6.543 -20.217 6.292 1.00 0.00 N ATOM 54 CA GLY A 4 6.443 -18.845 5.772 1.00 0.00 C ATOM 55 C GLY A 4 7.432 -17.874 6.442 1.00 0.00 C ATOM 56 O GLY A 4 7.037 -16.812 6.935 1.00 0.00 O ATOM 0 H GLY A 4 5.807 -20.457 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.625 -18.856 4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.427 -18.479 5.920 1.00 0.00 H new ATOM 60 N ARG A 5 8.731 -18.264 6.469 1.00 0.00 N ATOM 61 CA ARG A 5 9.835 -17.411 6.952 1.00 0.00 C ATOM 62 C ARG A 5 10.255 -16.429 5.845 1.00 0.00 C ATOM 63 O ARG A 5 9.872 -16.602 4.679 1.00 0.00 O ATOM 64 CB ARG A 5 11.045 -18.277 7.468 1.00 0.00 C ATOM 65 CG ARG A 5 11.534 -19.457 6.573 1.00 0.00 C ATOM 66 CD ARG A 5 12.235 -19.039 5.266 1.00 0.00 C ATOM 67 NE ARG A 5 13.399 -18.146 5.492 1.00 0.00 N ATOM 68 CZ ARG A 5 14.607 -18.270 4.912 1.00 0.00 C ATOM 69 NH1 ARG A 5 14.883 -19.288 4.118 1.00 0.00 N ATOM 70 NH2 ARG A 5 15.543 -17.361 5.135 1.00 0.00 N ATOM 0 H ARG A 5 9.039 -19.184 6.154 1.00 0.00 H new ATOM 0 HA ARG A 5 9.486 -16.830 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.890 -17.608 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.772 -18.686 8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.220 -20.073 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.677 -20.083 6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.567 -19.932 4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.517 -18.534 4.620 1.00 0.00 H new ATOM 0 HE ARG A 5 13.272 -17.371 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.174 -19.998 3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.805 -19.364 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.348 -16.568 5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.459 -17.454 4.696 1.00 0.00 H new ATOM 84 N LEU A 6 11.103 -15.468 6.212 1.00 0.00 N ATOM 85 CA LEU A 6 11.461 -14.336 5.355 1.00 0.00 C ATOM 86 C LEU A 6 12.468 -14.793 4.284 1.00 0.00 C ATOM 87 O LEU A 6 13.585 -15.202 4.618 1.00 0.00 O ATOM 88 CB LEU A 6 12.049 -13.172 6.215 1.00 0.00 C ATOM 89 CG LEU A 6 11.215 -12.671 7.457 1.00 0.00 C ATOM 90 CD1 LEU A 6 9.726 -12.514 7.127 1.00 0.00 C ATOM 91 CD2 LEU A 6 11.430 -13.546 8.715 1.00 0.00 C ATOM 0 H LEU A 6 11.565 -15.453 7.121 1.00 0.00 H new ATOM 0 HA LEU A 6 10.566 -13.966 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 6 13.028 -13.486 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.210 -12.319 5.556 1.00 0.00 H new ATOM 0 HG LEU A 6 11.600 -11.680 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.192 -12.167 8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.606 -11.788 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.320 -13.475 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.832 -13.154 9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.126 -14.571 8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.484 -13.530 8.993 1.00 0.00 H new ATOM 103 N ARG A 7 12.046 -14.773 3.005 1.00 0.00 N ATOM 104 CA ARG A 7 12.899 -15.142 1.854 1.00 0.00 C ATOM 105 C ARG A 7 13.149 -13.940 0.926 1.00 0.00 C ATOM 106 O ARG A 7 14.218 -13.833 0.318 1.00 0.00 O ATOM 107 CB ARG A 7 12.263 -16.304 1.039 1.00 0.00 C ATOM 108 CG ARG A 7 12.131 -17.640 1.805 1.00 0.00 C ATOM 109 CD ARG A 7 11.734 -18.804 0.876 1.00 0.00 C ATOM 110 NE ARG A 7 12.752 -19.016 -0.183 1.00 0.00 N ATOM 111 CZ ARG A 7 12.530 -19.531 -1.404 1.00 0.00 C ATOM 112 NH1 ARG A 7 11.322 -19.917 -1.772 1.00 0.00 N ATOM 113 NH2 ARG A 7 13.530 -19.652 -2.264 1.00 0.00 N ATOM 0 H ARG A 7 11.100 -14.500 2.738 1.00 0.00 H new ATOM 0 HA ARG A 7 13.856 -15.471 2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.273 -15.994 0.705 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.863 -16.472 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.078 -17.873 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.384 -17.534 2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.618 -19.716 1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.767 -18.594 0.418 1.00 0.00 H new ATOM 0 HE ARG A 7 13.711 -18.745 0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.539 -19.826 -1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.172 -20.306 -2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.469 -19.354 -1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.361 -20.043 -3.191 1.00 0.00 H new ATOM 127 N ASP A 8 12.164 -13.038 0.823 1.00 0.00 N ATOM 128 CA ASP A 8 12.127 -11.936 -0.152 1.00 0.00 C ATOM 129 C ASP A 8 12.367 -10.590 0.587 1.00 0.00 C ATOM 130 O ASP A 8 12.777 -10.577 1.758 1.00 0.00 O ATOM 131 CB ASP A 8 10.720 -11.927 -0.833 1.00 0.00 C ATOM 132 CG ASP A 8 10.244 -13.321 -1.298 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.557 -13.735 -2.427 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.559 -14.017 -0.521 1.00 0.00 O ATOM 0 H ASP A 8 11.346 -13.054 1.433 1.00 0.00 H new ATOM 0 HA ASP A 8 12.902 -12.068 -0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.991 -11.519 -0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.747 -11.257 -1.692 1.00 0.00 H new ATOM 139 N ARG A 9 12.124 -9.458 -0.110 1.00 0.00 N ATOM 140 CA ARG A 9 12.117 -8.107 0.501 1.00 0.00 C ATOM 141 C ARG A 9 10.954 -7.280 -0.060 1.00 0.00 C ATOM 142 O ARG A 9 10.577 -7.424 -1.233 1.00 0.00 O ATOM 143 CB ARG A 9 13.440 -7.329 0.263 1.00 0.00 C ATOM 144 CG ARG A 9 14.686 -7.895 0.980 1.00 0.00 C ATOM 145 CD ARG A 9 15.913 -6.984 0.819 1.00 0.00 C ATOM 146 NE ARG A 9 16.291 -6.807 -0.604 1.00 0.00 N ATOM 147 CZ ARG A 9 16.620 -5.643 -1.187 1.00 0.00 C ATOM 148 NH1 ARG A 9 16.661 -4.518 -0.486 1.00 0.00 N ATOM 149 NH2 ARG A 9 16.925 -5.612 -2.475 1.00 0.00 N ATOM 0 H ARG A 9 11.927 -9.453 -1.111 1.00 0.00 H new ATOM 0 HA ARG A 9 12.004 -8.256 1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.639 -7.306 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.296 -6.297 0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.467 -8.022 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.915 -8.883 0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.702 -6.011 1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.754 -7.408 1.367 1.00 0.00 H new ATOM 0 HE ARG A 9 16.302 -7.641 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.441 -4.529 0.510 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.913 -3.641 -0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.910 -6.472 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.175 -4.728 -2.919 1.00 0.00 H new ATOM 163 N ILE A 10 10.416 -6.396 0.792 1.00 0.00 N ATOM 164 CA ILE A 10 9.342 -5.443 0.446 1.00 0.00 C ATOM 165 C ILE A 10 9.775 -4.027 0.801 1.00 0.00 C ATOM 166 O ILE A 10 10.540 -3.834 1.742 1.00 0.00 O ATOM 167 CB ILE A 10 8.012 -5.729 1.216 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.226 -5.704 2.775 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.387 -7.045 0.736 1.00 0.00 C ATOM 170 CD1 ILE A 10 6.954 -5.624 3.592 1.00 0.00 C ATOM 0 H ILE A 10 10.719 -6.319 1.763 1.00 0.00 H new ATOM 0 HA ILE A 10 9.163 -5.556 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 10 7.308 -4.928 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.772 -6.601 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.857 -4.851 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.462 -7.229 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.172 -6.978 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.083 -7.865 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.203 -5.612 4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.414 -4.713 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.328 -6.490 3.376 1.00 0.00 H new ATOM 182 N THR A 11 9.214 -3.043 0.092 1.00 0.00 N ATOM 183 CA THR A 11 9.509 -1.631 0.302 1.00 0.00 C ATOM 184 C THR A 11 8.233 -0.920 0.788 1.00 0.00 C ATOM 185 O THR A 11 7.183 -0.998 0.133 1.00 0.00 O ATOM 186 CB THR A 11 10.032 -0.965 -1.002 1.00 0.00 C ATOM 187 OG1 THR A 11 11.075 -1.780 -1.559 1.00 0.00 O ATOM 188 CG2 THR A 11 10.583 0.445 -0.726 1.00 0.00 C ATOM 0 H THR A 11 8.536 -3.211 -0.651 1.00 0.00 H new ATOM 0 HA THR A 11 10.293 -1.543 1.054 1.00 0.00 H new ATOM 0 HB THR A 11 9.201 -0.877 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.409 -1.367 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.941 0.884 -1.657 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.792 1.070 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.406 0.381 -0.015 1.00 0.00 H new ATOM 196 N ILE A 12 8.345 -0.261 1.945 1.00 0.00 N ATOM 197 CA ILE A 12 7.227 0.458 2.573 1.00 0.00 C ATOM 198 C ILE A 12 7.089 1.851 1.954 1.00 0.00 C ATOM 199 O ILE A 12 7.962 2.704 2.128 1.00 0.00 O ATOM 200 CB ILE A 12 7.407 0.576 4.137 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.726 -0.817 4.754 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.161 1.214 4.817 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.761 -1.930 4.374 1.00 0.00 C ATOM 0 H ILE A 12 9.215 -0.210 2.476 1.00 0.00 H new ATOM 0 HA ILE A 12 6.319 -0.116 2.389 1.00 0.00 H new ATOM 0 HB ILE A 12 8.250 1.241 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.731 -1.110 4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.736 -0.722 5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.326 1.277 5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.000 2.214 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.284 0.598 4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.070 -2.859 4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.756 -1.668 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.766 -2.062 3.292 1.00 0.00 H new ATOM 215 N GLN A 13 5.997 2.056 1.210 1.00 0.00 N ATOM 216 CA GLN A 13 5.682 3.337 0.582 1.00 0.00 C ATOM 217 C GLN A 13 4.660 4.066 1.456 1.00 0.00 C ATOM 218 O GLN A 13 3.453 3.818 1.401 1.00 0.00 O ATOM 219 CB GLN A 13 5.171 3.139 -0.866 1.00 0.00 C ATOM 220 CG GLN A 13 6.168 2.399 -1.774 1.00 0.00 C ATOM 221 CD GLN A 13 5.767 2.411 -3.246 1.00 0.00 C ATOM 222 OE1 GLN A 13 4.583 2.470 -3.583 1.00 0.00 O ATOM 223 NE2 GLN A 13 6.751 2.379 -4.127 1.00 0.00 N ATOM 0 H GLN A 13 5.304 1.330 1.027 1.00 0.00 H new ATOM 0 HA GLN A 13 6.583 3.945 0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.234 2.582 -0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.950 4.114 -1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.152 2.855 -1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.258 1.366 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.719 2.330 -3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.543 2.403 -5.125 1.00 0.00 H new ATOM 232 N THR A 14 5.212 4.925 2.297 1.00 0.00 N ATOM 233 CA THR A 14 4.435 5.801 3.178 1.00 0.00 C ATOM 234 C THR A 14 4.017 7.032 2.359 1.00 0.00 C ATOM 235 O THR A 14 4.754 7.441 1.463 1.00 0.00 O ATOM 236 CB THR A 14 5.233 6.157 4.477 1.00 0.00 C ATOM 237 OG1 THR A 14 6.603 6.439 4.157 1.00 0.00 O ATOM 238 CG2 THR A 14 5.186 5.006 5.512 1.00 0.00 C ATOM 0 H THR A 14 6.221 5.040 2.393 1.00 0.00 H new ATOM 0 HA THR A 14 3.537 5.297 3.534 1.00 0.00 H new ATOM 0 HB THR A 14 4.761 7.037 4.914 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.091 6.662 4.977 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.751 5.291 6.399 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.151 4.808 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.623 4.107 5.077 1.00 0.00 H new ATOM 246 N LEU A 15 2.824 7.598 2.603 1.00 0.00 N ATOM 247 CA LEU A 15 2.258 8.650 1.738 1.00 0.00 C ATOM 248 C LEU A 15 2.579 10.018 2.342 1.00 0.00 C ATOM 249 O LEU A 15 2.048 10.372 3.397 1.00 0.00 O ATOM 250 CB LEU A 15 0.718 8.450 1.599 1.00 0.00 C ATOM 251 CG LEU A 15 -0.076 9.536 0.789 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.416 9.663 -0.669 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.599 9.263 0.834 1.00 0.00 C ATOM 0 H LEU A 15 2.231 7.345 3.393 1.00 0.00 H new ATOM 0 HA LEU A 15 2.698 8.591 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.544 7.483 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.292 8.397 2.601 1.00 0.00 H new ATOM 0 HG LEU A 15 0.118 10.492 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.166 10.427 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.469 9.944 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.293 8.708 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.123 10.031 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.806 8.285 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.941 9.281 1.869 1.00 0.00 H new ATOM 265 N LYS A 16 3.498 10.749 1.708 1.00 0.00 N ATOM 266 CA LYS A 16 3.876 12.109 2.093 1.00 0.00 C ATOM 267 C LYS A 16 2.913 13.123 1.452 1.00 0.00 C ATOM 268 O LYS A 16 2.974 13.372 0.242 1.00 0.00 O ATOM 269 CB LYS A 16 5.339 12.355 1.636 1.00 0.00 C ATOM 270 CG LYS A 16 5.979 13.670 2.119 1.00 0.00 C ATOM 271 CD LYS A 16 7.488 13.744 1.775 1.00 0.00 C ATOM 272 CE LYS A 16 8.134 15.067 2.220 1.00 0.00 C ATOM 273 NZ LYS A 16 8.038 15.288 3.690 1.00 0.00 N ATOM 0 H LYS A 16 4.010 10.404 0.896 1.00 0.00 H new ATOM 0 HA LYS A 16 3.812 12.233 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.953 11.525 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.367 12.338 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.462 14.514 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.848 13.762 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.007 12.913 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.618 13.625 0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.183 15.072 1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.652 15.895 1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.561 16.149 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.040 15.396 3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.446 14.473 4.191 1.00 0.00 H new ATOM 287 N GLN A 17 1.999 13.660 2.270 1.00 0.00 N ATOM 288 CA GLN A 17 1.025 14.683 1.860 1.00 0.00 C ATOM 289 C GLN A 17 1.527 16.058 2.332 1.00 0.00 C ATOM 290 O GLN A 17 1.179 16.528 3.419 1.00 0.00 O ATOM 291 CB GLN A 17 -0.380 14.351 2.443 1.00 0.00 C ATOM 292 CG GLN A 17 -0.982 13.024 1.946 1.00 0.00 C ATOM 293 CD GLN A 17 -2.357 12.726 2.548 1.00 0.00 C ATOM 294 OE1 GLN A 17 -2.460 12.086 3.590 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.416 13.194 1.901 1.00 0.00 N ATOM 0 H GLN A 17 1.913 13.393 3.251 1.00 0.00 H new ATOM 0 HA GLN A 17 0.928 14.700 0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.309 14.318 3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.064 15.162 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.066 13.055 0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.301 12.209 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.293 13.722 1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.353 13.026 2.267 1.00 0.00 H new ATOM 304 N THR A 18 2.381 16.676 1.506 1.00 0.00 N ATOM 305 CA THR A 18 3.030 17.955 1.816 1.00 0.00 C ATOM 306 C THR A 18 2.215 19.103 1.221 1.00 0.00 C ATOM 307 O THR A 18 2.011 19.154 0.016 1.00 0.00 O ATOM 308 CB THR A 18 4.499 18.002 1.271 1.00 0.00 C ATOM 309 OG1 THR A 18 5.261 16.925 1.841 1.00 0.00 O ATOM 310 CG2 THR A 18 5.196 19.339 1.592 1.00 0.00 C ATOM 0 H THR A 18 2.643 16.298 0.595 1.00 0.00 H new ATOM 0 HA THR A 18 3.074 18.059 2.900 1.00 0.00 H new ATOM 0 HB THR A 18 4.448 17.902 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.019 17.291 2.343 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.211 19.325 1.195 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.640 20.158 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.231 19.481 2.672 1.00 0.00 H new ATOM 318 N ARG A 19 1.753 20.019 2.074 1.00 0.00 N ATOM 319 CA ARG A 19 0.962 21.174 1.647 1.00 0.00 C ATOM 320 C ARG A 19 1.861 22.204 0.895 1.00 0.00 C ATOM 321 O ARG A 19 3.090 22.076 0.881 1.00 0.00 O ATOM 322 CB ARG A 19 0.249 21.775 2.896 1.00 0.00 C ATOM 323 CG ARG A 19 -0.908 22.760 2.602 1.00 0.00 C ATOM 324 CD ARG A 19 -1.735 23.098 3.858 1.00 0.00 C ATOM 325 NE ARG A 19 -0.891 23.594 4.957 1.00 0.00 N ATOM 326 CZ ARG A 19 -1.311 23.903 6.189 1.00 0.00 C ATOM 327 NH1 ARG A 19 -2.587 23.760 6.548 1.00 0.00 N ATOM 328 NH2 ARG A 19 -0.431 24.339 7.068 1.00 0.00 N ATOM 0 H ARG A 19 1.917 19.981 3.080 1.00 0.00 H new ATOM 0 HA ARG A 19 0.193 20.875 0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.142 20.954 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.994 22.290 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.499 23.679 2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.564 22.329 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.483 23.850 3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.274 22.209 4.187 1.00 0.00 H new ATOM 0 HE ARG A 19 0.103 23.713 4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.269 23.408 5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.881 24.003 7.494 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.549 24.435 6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.730 24.580 8.013 1.00 0.00 H new ATOM 342 N ASP A 20 1.237 23.217 0.278 1.00 0.00 N ATOM 343 CA ASP A 20 1.949 24.249 -0.536 1.00 0.00 C ATOM 344 C ASP A 20 1.871 25.616 0.179 1.00 0.00 C ATOM 345 O ASP A 20 0.996 25.815 1.035 1.00 0.00 O ATOM 346 CB ASP A 20 1.319 24.329 -1.956 1.00 0.00 C ATOM 347 CG ASP A 20 2.127 25.188 -2.946 1.00 0.00 C ATOM 348 OD1 ASP A 20 1.920 26.417 -3.000 1.00 0.00 O ATOM 349 OD2 ASP A 20 2.983 24.638 -3.669 1.00 0.00 O ATOM 0 H ASP A 20 0.227 23.356 0.320 1.00 0.00 H new ATOM 0 HA ASP A 20 2.998 23.972 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.223 23.321 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.311 24.736 -1.874 1.00 0.00 H new ATOM 354 N ILE A 21 2.758 26.572 -0.196 1.00 0.00 N ATOM 355 CA ILE A 21 2.802 27.951 0.369 1.00 0.00 C ATOM 356 C ILE A 21 1.589 28.835 -0.084 1.00 0.00 C ATOM 357 O ILE A 21 1.560 30.052 0.134 1.00 0.00 O ATOM 358 CB ILE A 21 4.184 28.631 -0.022 1.00 0.00 C ATOM 359 CG1 ILE A 21 4.477 29.902 0.851 1.00 0.00 C ATOM 360 CG2 ILE A 21 4.237 28.947 -1.541 1.00 0.00 C ATOM 361 CD1 ILE A 21 5.784 30.610 0.546 1.00 0.00 C ATOM 0 H ILE A 21 3.472 26.409 -0.906 1.00 0.00 H new ATOM 0 HA ILE A 21 2.723 27.872 1.453 1.00 0.00 H new ATOM 0 HB ILE A 21 4.977 27.915 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.659 30.610 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.478 29.609 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.193 29.412 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.129 28.023 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.427 29.629 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.892 31.474 1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.616 29.925 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.785 30.941 -0.492 1.00 0.00 H new ATOM 373 N THR A 22 0.561 28.213 -0.658 1.00 0.00 N ATOM 374 CA THR A 22 -0.698 28.870 -1.071 1.00 0.00 C ATOM 375 C THR A 22 -1.829 27.878 -0.713 1.00 0.00 C ATOM 376 O THR A 22 -2.935 28.267 -0.331 1.00 0.00 O ATOM 377 CB THR A 22 -0.737 29.238 -2.601 1.00 0.00 C ATOM 378 OG1 THR A 22 -0.307 28.121 -3.385 1.00 0.00 O ATOM 379 CG2 THR A 22 0.128 30.472 -2.942 1.00 0.00 C ATOM 0 H THR A 22 0.571 27.213 -0.858 1.00 0.00 H new ATOM 0 HA THR A 22 -0.805 29.824 -0.555 1.00 0.00 H new ATOM 0 HB THR A 22 -1.771 29.490 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.576 27.827 -3.078 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.062 30.678 -4.010 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.233 31.335 -2.383 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.166 30.274 -2.674 1.00 0.00 H new ATOM 387 N GLY A 23 -1.486 26.575 -0.853 1.00 0.00 N ATOM 388 CA GLY A 23 -2.195 25.497 -0.180 1.00 0.00 C ATOM 389 C GLY A 23 -2.889 24.531 -1.097 1.00 0.00 C ATOM 390 O GLY A 23 -4.120 24.578 -1.244 1.00 0.00 O ATOM 0 H GLY A 23 -0.711 26.258 -1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.486 24.945 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.934 25.932 0.493 1.00 0.00 H new ATOM 394 N GLU A 24 -2.111 23.661 -1.741 1.00 0.00 N ATOM 395 CA GLU A 24 -2.578 22.399 -2.326 1.00 0.00 C ATOM 396 C GLU A 24 -1.909 21.266 -1.532 1.00 0.00 C ATOM 397 O GLU A 24 -0.863 21.493 -0.901 1.00 0.00 O ATOM 398 CB GLU A 24 -2.159 22.302 -3.822 1.00 0.00 C ATOM 399 CG GLU A 24 -2.740 23.403 -4.725 1.00 0.00 C ATOM 400 CD GLU A 24 -2.049 23.463 -6.094 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.424 22.682 -6.997 1.00 0.00 O ATOM 402 OE2 GLU A 24 -1.099 24.269 -6.261 1.00 0.00 O ATOM 0 H GLU A 24 -1.112 23.816 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.665 22.335 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.071 22.337 -3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.469 21.332 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.806 23.227 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.639 24.368 -4.228 1.00 0.00 H new ATOM 409 N ILE A 25 -2.504 20.066 -1.550 1.00 0.00 N ATOM 410 CA ILE A 25 -1.920 18.877 -0.902 1.00 0.00 C ATOM 411 C ILE A 25 -1.160 18.038 -1.949 1.00 0.00 C ATOM 412 O ILE A 25 -1.771 17.365 -2.784 1.00 0.00 O ATOM 413 CB ILE A 25 -3.028 18.021 -0.181 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.773 18.881 0.892 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.439 16.735 0.456 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.901 19.380 2.042 1.00 0.00 C ATOM 0 H ILE A 25 -3.397 19.889 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.217 19.203 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.747 17.708 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.222 19.742 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.590 18.290 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.236 16.173 0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.983 16.120 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.684 17.007 1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.509 19.966 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.472 18.528 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.099 20.003 1.647 1.00 0.00 H new ATOM 428 N LEU A 26 0.175 18.109 -1.906 1.00 0.00 N ATOM 429 CA LEU A 26 1.065 17.380 -2.818 1.00 0.00 C ATOM 430 C LEU A 26 1.240 15.958 -2.278 1.00 0.00 C ATOM 431 O LEU A 26 2.117 15.694 -1.440 1.00 0.00 O ATOM 432 CB LEU A 26 2.449 18.096 -2.972 1.00 0.00 C ATOM 433 CG LEU A 26 2.481 19.440 -3.773 1.00 0.00 C ATOM 434 CD1 LEU A 26 2.066 19.227 -5.240 1.00 0.00 C ATOM 435 CD2 LEU A 26 1.649 20.557 -3.093 1.00 0.00 C ATOM 0 H LEU A 26 0.675 18.683 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 26 0.620 17.351 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.840 18.290 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.136 17.400 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 26 3.515 19.786 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.098 20.179 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.752 18.525 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.053 18.826 -5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.705 21.467 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.609 20.239 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.046 20.751 -2.097 1.00 0.00 H new ATOM 447 N GLU A 27 0.344 15.065 -2.719 1.00 0.00 N ATOM 448 CA GLU A 27 0.363 13.658 -2.333 1.00 0.00 C ATOM 449 C GLU A 27 1.395 12.929 -3.191 1.00 0.00 C ATOM 450 O GLU A 27 1.286 12.883 -4.423 1.00 0.00 O ATOM 451 CB GLU A 27 -1.030 13.010 -2.494 1.00 0.00 C ATOM 452 CG GLU A 27 -2.126 13.712 -1.686 1.00 0.00 C ATOM 453 CD GLU A 27 -3.489 13.013 -1.763 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.275 13.297 -2.693 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.779 12.168 -0.896 1.00 0.00 O ATOM 0 H GLU A 27 -0.416 15.305 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 27 0.634 13.582 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.306 13.017 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.974 11.966 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.816 13.771 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.231 14.736 -2.045 1.00 0.00 H new ATOM 462 N THR A 28 2.388 12.387 -2.505 1.00 0.00 N ATOM 463 CA THR A 28 3.529 11.670 -3.086 1.00 0.00 C ATOM 464 C THR A 28 3.850 10.496 -2.170 1.00 0.00 C ATOM 465 O THR A 28 3.523 10.530 -0.987 1.00 0.00 O ATOM 466 CB THR A 28 4.790 12.589 -3.226 1.00 0.00 C ATOM 467 OG1 THR A 28 5.023 13.275 -1.989 1.00 0.00 O ATOM 468 CG2 THR A 28 4.654 13.619 -4.363 1.00 0.00 C ATOM 0 H THR A 28 2.430 12.432 -1.487 1.00 0.00 H new ATOM 0 HA THR A 28 3.266 11.334 -4.089 1.00 0.00 H new ATOM 0 HB THR A 28 5.632 11.943 -3.473 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.813 13.849 -2.077 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.557 14.228 -4.413 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.515 13.099 -5.311 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.794 14.261 -4.172 1.00 0.00 H new ATOM 476 N TRP A 29 4.525 9.478 -2.691 1.00 0.00 N ATOM 477 CA TRP A 29 4.795 8.245 -1.942 1.00 0.00 C ATOM 478 C TRP A 29 6.270 8.233 -1.563 1.00 0.00 C ATOM 479 O TRP A 29 7.130 7.962 -2.402 1.00 0.00 O ATOM 480 CB TRP A 29 4.382 7.005 -2.780 1.00 0.00 C ATOM 481 CG TRP A 29 2.891 6.951 -2.998 1.00 0.00 C ATOM 482 CD1 TRP A 29 2.187 7.488 -4.034 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.924 6.386 -2.109 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.846 7.256 -3.864 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.657 6.589 -2.685 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.016 5.715 -0.891 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.518 6.158 -2.071 1.00 0.00 C ATOM 488 CZ3 TRP A 29 0.856 5.282 -0.283 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.399 5.504 -0.874 1.00 0.00 C ATOM 0 H TRP A 29 4.901 9.478 -3.639 1.00 0.00 H new ATOM 0 HA TRP A 29 4.203 8.207 -1.027 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.890 7.032 -3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.709 6.097 -2.272 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.622 8.019 -4.868 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.109 7.536 -4.512 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.977 5.537 -0.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.484 6.333 -2.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.914 4.764 0.663 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.289 5.151 -0.374 1.00 0.00 H new ATOM 500 N GLU A 30 6.545 8.587 -0.290 1.00 0.00 N ATOM 501 CA GLU A 30 7.898 8.575 0.252 1.00 0.00 C ATOM 502 C GLU A 30 8.310 7.106 0.462 1.00 0.00 C ATOM 503 O GLU A 30 7.932 6.439 1.443 1.00 0.00 O ATOM 504 CB GLU A 30 8.048 9.458 1.528 1.00 0.00 C ATOM 505 CG GLU A 30 7.082 9.165 2.688 1.00 0.00 C ATOM 506 CD GLU A 30 7.396 9.964 3.964 1.00 0.00 C ATOM 507 OE1 GLU A 30 8.379 9.637 4.653 1.00 0.00 O ATOM 508 OE2 GLU A 30 6.672 10.926 4.285 1.00 0.00 O ATOM 0 H GLU A 30 5.834 8.885 0.377 1.00 0.00 H new ATOM 0 HA GLU A 30 8.585 9.036 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.067 9.350 1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.923 10.501 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.064 9.390 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.115 8.100 2.918 1.00 0.00 H new ATOM 515 N ASP A 31 8.989 6.604 -0.572 1.00 0.00 N ATOM 516 CA ASP A 31 9.514 5.245 -0.653 1.00 0.00 C ATOM 517 C ASP A 31 10.550 5.053 0.469 1.00 0.00 C ATOM 518 O ASP A 31 11.540 5.781 0.515 1.00 0.00 O ATOM 519 CB ASP A 31 10.129 5.064 -2.063 1.00 0.00 C ATOM 520 CG ASP A 31 10.479 3.615 -2.393 1.00 0.00 C ATOM 521 OD1 ASP A 31 9.576 2.865 -2.813 1.00 0.00 O ATOM 522 OD2 ASP A 31 11.652 3.223 -2.236 1.00 0.00 O ATOM 0 H ASP A 31 9.194 7.156 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 31 8.738 4.492 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.427 5.439 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.030 5.673 -2.139 1.00 0.00 H new ATOM 527 N GLY A 32 10.335 4.068 1.357 1.00 0.00 N ATOM 528 CA GLY A 32 10.888 4.128 2.718 1.00 0.00 C ATOM 529 C GLY A 32 11.865 3.004 3.020 1.00 0.00 C ATOM 530 O GLY A 32 12.964 2.962 2.456 1.00 0.00 O ATOM 0 H GLY A 32 9.788 3.230 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.392 5.085 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.070 4.092 3.437 1.00 0.00 H new ATOM 534 N HIS A 33 11.450 2.083 3.913 1.00 0.00 N ATOM 535 CA HIS A 33 12.317 1.014 4.460 1.00 0.00 C ATOM 536 C HIS A 33 12.048 -0.276 3.685 1.00 0.00 C ATOM 537 O HIS A 33 10.882 -0.657 3.524 1.00 0.00 O ATOM 538 CB HIS A 33 12.015 0.782 5.976 1.00 0.00 C ATOM 539 CG HIS A 33 11.907 2.052 6.788 1.00 0.00 C ATOM 540 ND1 HIS A 33 12.941 2.596 7.524 1.00 0.00 N ATOM 541 CD2 HIS A 33 10.853 2.882 6.967 1.00 0.00 C ATOM 542 CE1 HIS A 33 12.520 3.703 8.119 1.00 0.00 C ATOM 543 NE2 HIS A 33 11.262 3.897 7.784 1.00 0.00 N ATOM 0 H HIS A 33 10.498 2.058 4.279 1.00 0.00 H new ATOM 0 HA HIS A 33 13.361 1.310 4.358 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.083 0.225 6.068 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.802 0.159 6.400 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.868 2.763 6.541 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.108 4.336 8.767 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.684 4.681 8.087 1.00 0.00 H new ATOM 552 N THR A 34 13.096 -0.959 3.212 1.00 0.00 N ATOM 553 CA THR A 34 12.957 -2.232 2.510 1.00 0.00 C ATOM 554 C THR A 34 13.402 -3.380 3.430 1.00 0.00 C ATOM 555 O THR A 34 14.605 -3.624 3.590 1.00 0.00 O ATOM 556 CB THR A 34 13.783 -2.216 1.187 1.00 0.00 C ATOM 557 OG1 THR A 34 13.383 -1.094 0.394 1.00 0.00 O ATOM 558 CG2 THR A 34 13.582 -3.497 0.367 1.00 0.00 C ATOM 0 H THR A 34 14.061 -0.643 3.307 1.00 0.00 H new ATOM 0 HA THR A 34 11.911 -2.387 2.246 1.00 0.00 H new ATOM 0 HB THR A 34 14.837 -2.147 1.457 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.666 -1.364 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.176 -3.442 -0.545 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.899 -4.359 0.955 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.528 -3.602 0.108 1.00 0.00 H new ATOM 566 N LEU A 35 12.431 -4.042 4.088 1.00 0.00 N ATOM 567 CA LEU A 35 12.715 -5.079 5.101 1.00 0.00 C ATOM 568 C LEU A 35 12.470 -6.511 4.589 1.00 0.00 C ATOM 569 O LEU A 35 11.938 -6.727 3.493 1.00 0.00 O ATOM 570 CB LEU A 35 11.871 -4.838 6.394 1.00 0.00 C ATOM 571 CG LEU A 35 10.311 -4.755 6.213 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.557 -5.303 7.440 1.00 0.00 C ATOM 573 CD2 LEU A 35 9.871 -3.312 5.928 1.00 0.00 C ATOM 0 H LEU A 35 11.436 -3.876 3.935 1.00 0.00 H new ATOM 0 HA LEU A 35 13.777 -4.991 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.090 -5.641 7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.210 -3.910 6.854 1.00 0.00 H new ATOM 0 HG LEU A 35 10.056 -5.381 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.483 -5.226 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.826 -6.348 7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.828 -4.723 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.788 -3.279 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.162 -2.672 6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.350 -2.959 5.014 1.00 0.00 H new ATOM 585 N TRP A 36 12.897 -7.462 5.445 1.00 0.00 N ATOM 586 CA TRP A 36 12.692 -8.905 5.269 1.00 0.00 C ATOM 587 C TRP A 36 11.187 -9.267 5.200 1.00 0.00 C ATOM 588 O TRP A 36 10.410 -8.927 6.092 1.00 0.00 O ATOM 589 CB TRP A 36 13.388 -9.698 6.407 1.00 0.00 C ATOM 590 CG TRP A 36 14.896 -9.535 6.475 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.651 -9.239 7.584 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.830 -9.666 5.388 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.978 -9.185 7.251 1.00 0.00 N ATOM 594 CE2 TRP A 36 17.114 -9.441 5.914 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.708 -9.957 4.021 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.262 -9.491 5.129 1.00 0.00 C ATOM 597 CZ3 TRP A 36 16.846 -10.005 3.245 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.110 -9.773 3.798 1.00 0.00 C ATOM 0 H TRP A 36 13.407 -7.236 6.299 1.00 0.00 H new ATOM 0 HA TRP A 36 13.143 -9.185 4.317 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.961 -9.386 7.360 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.157 -10.756 6.285 1.00 0.00 H new ATOM 0 HD1 TRP A 36 15.255 -9.073 8.575 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.742 -8.986 7.896 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.738 -10.140 3.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.239 -9.314 5.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.760 -10.226 2.191 1.00 0.00 H new ATOM 0 HH2 TRP A 36 18.982 -9.817 3.163 1.00 0.00 H new ATOM 609 N ALA A 37 10.819 -9.941 4.107 1.00 0.00 N ATOM 610 CA ALA A 37 9.442 -10.395 3.843 1.00 0.00 C ATOM 611 C ALA A 37 9.417 -11.782 3.222 1.00 0.00 C ATOM 612 O ALA A 37 10.456 -12.336 2.919 1.00 0.00 O ATOM 613 CB ALA A 37 8.736 -9.405 2.922 1.00 0.00 C ATOM 0 H ALA A 37 11.475 -10.192 3.367 1.00 0.00 H new ATOM 0 HA ALA A 37 8.920 -10.446 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.719 -9.747 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.706 -8.424 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.278 -9.335 1.979 1.00 0.00 H new ATOM 619 N SER A 38 8.217 -12.368 3.113 1.00 0.00 N ATOM 620 CA SER A 38 7.936 -13.526 2.271 1.00 0.00 C ATOM 621 C SER A 38 6.642 -13.214 1.499 1.00 0.00 C ATOM 622 O SER A 38 5.545 -13.296 2.062 1.00 0.00 O ATOM 623 CB SER A 38 7.782 -14.778 3.165 1.00 0.00 C ATOM 624 OG SER A 38 7.616 -15.959 2.409 1.00 0.00 O ATOM 0 H SER A 38 7.398 -12.037 3.623 1.00 0.00 H new ATOM 0 HA SER A 38 8.743 -13.727 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.661 -14.877 3.802 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.924 -14.648 3.824 1.00 0.00 H new ATOM 0 HG SER A 38 6.873 -15.843 1.780 1.00 0.00 H new ATOM 630 N VAL A 39 6.772 -12.826 0.222 1.00 0.00 N ATOM 631 CA VAL A 39 5.650 -12.295 -0.580 1.00 0.00 C ATOM 632 C VAL A 39 5.000 -13.429 -1.374 1.00 0.00 C ATOM 633 O VAL A 39 5.490 -13.790 -2.447 1.00 0.00 O ATOM 634 CB VAL A 39 6.141 -11.179 -1.580 1.00 0.00 C ATOM 635 CG1 VAL A 39 4.946 -10.516 -2.313 1.00 0.00 C ATOM 636 CG2 VAL A 39 7.008 -10.130 -0.857 1.00 0.00 C ATOM 0 H VAL A 39 7.655 -12.870 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 39 4.926 -11.854 0.105 1.00 0.00 H new ATOM 0 HB VAL A 39 6.763 -11.659 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.317 -9.751 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.401 -11.272 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.280 -10.058 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.333 -9.372 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.424 -9.658 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.881 -10.617 -0.422 1.00 0.00 H new ATOM 646 N ASN A 40 3.921 -14.029 -0.854 1.00 0.00 N ATOM 647 CA ASN A 40 3.267 -15.179 -1.498 1.00 0.00 C ATOM 648 C ASN A 40 1.819 -14.803 -1.826 1.00 0.00 C ATOM 649 O ASN A 40 1.063 -14.427 -0.930 1.00 0.00 O ATOM 650 CB ASN A 40 3.278 -16.431 -0.570 1.00 0.00 C ATOM 651 CG ASN A 40 4.672 -16.965 -0.190 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.551 -16.102 0.289 1.00 0.00 O flip ATOM 653 ND2 ASN A 40 4.927 -18.172 -0.264 1.00 0.00 N flip ATOM 0 H ASN A 40 3.479 -13.735 0.017 1.00 0.00 H new ATOM 0 HA ASN A 40 3.815 -15.427 -2.407 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.740 -16.187 0.346 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.724 -17.231 -1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.232 -18.818 -0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.833 -18.522 0.048 1.00 0.00 H new ATOM 660 N MET A 41 1.433 -14.890 -3.103 1.00 0.00 N ATOM 661 CA MET A 41 0.038 -14.672 -3.520 1.00 0.00 C ATOM 662 C MET A 41 -0.865 -15.805 -2.990 1.00 0.00 C ATOM 663 O MET A 41 -0.390 -16.914 -2.715 1.00 0.00 O ATOM 664 CB MET A 41 -0.066 -14.577 -5.059 1.00 0.00 C ATOM 665 CG MET A 41 0.692 -13.387 -5.680 1.00 0.00 C ATOM 666 SD MET A 41 0.558 -13.316 -7.485 1.00 0.00 S ATOM 667 CE MET A 41 -1.211 -13.135 -7.735 1.00 0.00 C ATOM 0 H MET A 41 2.067 -15.111 -3.871 1.00 0.00 H new ATOM 0 HA MET A 41 -0.301 -13.727 -3.095 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.316 -15.501 -5.494 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.118 -14.505 -5.335 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.307 -12.459 -5.257 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.744 -13.451 -5.403 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.395 -12.634 -8.685 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.679 -14.119 -7.747 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.634 -12.542 -6.924 1.00 0.00 H new ATOM 677 N VAL A 42 -2.161 -15.508 -2.864 1.00 0.00 N ATOM 678 CA VAL A 42 -3.166 -16.428 -2.306 1.00 0.00 C ATOM 679 C VAL A 42 -3.509 -17.546 -3.289 1.00 0.00 C ATOM 680 O VAL A 42 -3.226 -17.460 -4.485 1.00 0.00 O ATOM 681 CB VAL A 42 -4.507 -15.687 -1.915 1.00 0.00 C ATOM 682 CG1 VAL A 42 -4.262 -14.618 -0.833 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.226 -15.083 -3.155 1.00 0.00 C ATOM 0 H VAL A 42 -2.551 -14.610 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.714 -16.847 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.175 -16.439 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.204 -14.127 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.855 -15.091 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.554 -13.878 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.142 -14.584 -2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.569 -14.361 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.472 -15.880 -3.857 1.00 0.00 H new ATOM 693 N SER A 43 -4.080 -18.611 -2.743 1.00 0.00 N ATOM 694 CA SER A 43 -4.844 -19.590 -3.512 1.00 0.00 C ATOM 695 C SER A 43 -6.331 -19.178 -3.468 1.00 0.00 C ATOM 696 O SER A 43 -6.693 -18.183 -2.810 1.00 0.00 O ATOM 697 CB SER A 43 -4.632 -20.993 -2.900 1.00 0.00 C ATOM 698 OG SER A 43 -3.258 -21.359 -2.913 1.00 0.00 O ATOM 0 H SER A 43 -4.027 -18.823 -1.747 1.00 0.00 H new ATOM 0 HA SER A 43 -4.513 -19.622 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.004 -21.006 -1.876 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.212 -21.728 -3.459 1.00 0.00 H new ATOM 0 HG SER A 43 -3.153 -22.250 -2.519 1.00 0.00 H new ATOM 704 N SER A 44 -7.196 -19.942 -4.147 1.00 0.00 N ATOM 705 CA SER A 44 -8.654 -19.746 -4.070 1.00 0.00 C ATOM 706 C SER A 44 -9.176 -20.054 -2.645 1.00 0.00 C ATOM 707 O SER A 44 -10.232 -19.578 -2.269 1.00 0.00 O ATOM 708 CB SER A 44 -9.370 -20.632 -5.113 1.00 0.00 C ATOM 709 OG SER A 44 -8.898 -20.367 -6.423 1.00 0.00 O ATOM 0 H SER A 44 -6.912 -20.706 -4.760 1.00 0.00 H new ATOM 0 HA SER A 44 -8.872 -18.701 -4.292 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.210 -21.683 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.445 -20.455 -5.068 1.00 0.00 H new ATOM 0 HG SER A 44 -9.367 -20.943 -7.062 1.00 0.00 H new ATOM 715 N LYS A 45 -8.386 -20.820 -1.864 1.00 0.00 N ATOM 716 CA LYS A 45 -8.738 -21.277 -0.508 1.00 0.00 C ATOM 717 C LYS A 45 -9.173 -20.112 0.413 1.00 0.00 C ATOM 718 O LYS A 45 -10.318 -20.076 0.866 1.00 0.00 O ATOM 719 CB LYS A 45 -7.520 -22.022 0.095 1.00 0.00 C ATOM 720 CG LYS A 45 -7.794 -22.766 1.418 1.00 0.00 C ATOM 721 CD LYS A 45 -8.809 -23.939 1.302 1.00 0.00 C ATOM 722 CE LYS A 45 -8.285 -25.162 0.517 1.00 0.00 C ATOM 723 NZ LYS A 45 -8.127 -24.907 -0.940 1.00 0.00 N ATOM 0 H LYS A 45 -7.467 -21.143 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.594 -21.947 -0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.155 -22.741 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.719 -21.301 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.851 -23.155 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.167 -22.051 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.091 -24.260 2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.715 -23.573 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.324 -25.465 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.971 -25.997 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.440 -25.743 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.703 -24.086 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.127 -24.714 -1.152 1.00 0.00 H new ATOM 737 N GLU A 46 -8.261 -19.146 0.636 1.00 0.00 N ATOM 738 CA GLU A 46 -8.510 -18.012 1.564 1.00 0.00 C ATOM 739 C GLU A 46 -9.422 -16.933 0.934 1.00 0.00 C ATOM 740 O GLU A 46 -9.995 -16.120 1.663 1.00 0.00 O ATOM 741 CB GLU A 46 -7.185 -17.382 2.104 1.00 0.00 C ATOM 742 CG GLU A 46 -6.092 -17.104 1.045 1.00 0.00 C ATOM 743 CD GLU A 46 -5.076 -18.254 0.853 1.00 0.00 C ATOM 744 OE1 GLU A 46 -5.321 -19.168 0.034 1.00 0.00 O ATOM 745 OE2 GLU A 46 -4.030 -18.256 1.539 1.00 0.00 O ATOM 0 H GLU A 46 -7.344 -19.123 0.189 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.040 -18.432 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.428 -16.444 2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.770 -18.048 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.574 -16.899 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.550 -16.202 1.329 1.00 0.00 H new ATOM 752 N ALA A 47 -9.553 -16.933 -0.407 1.00 0.00 N ATOM 753 CA ALA A 47 -10.496 -16.038 -1.121 1.00 0.00 C ATOM 754 C ALA A 47 -11.959 -16.507 -0.878 1.00 0.00 C ATOM 755 O ALA A 47 -12.796 -15.753 -0.372 1.00 0.00 O ATOM 756 CB ALA A 47 -10.165 -16.013 -2.624 1.00 0.00 C ATOM 0 H ALA A 47 -9.017 -17.544 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.394 -15.024 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.863 -15.353 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.148 -15.648 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.249 -17.020 -3.032 1.00 0.00 H new ATOM 762 N ILE A 48 -12.224 -17.768 -1.280 1.00 0.00 N ATOM 763 CA ILE A 48 -13.488 -18.508 -0.998 1.00 0.00 C ATOM 764 C ILE A 48 -13.847 -18.472 0.514 1.00 0.00 C ATOM 765 O ILE A 48 -15.025 -18.340 0.884 1.00 0.00 O ATOM 766 CB ILE A 48 -13.401 -20.007 -1.504 1.00 0.00 C ATOM 767 CG1 ILE A 48 -13.209 -20.069 -3.055 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.636 -20.849 -1.077 1.00 0.00 C ATOM 769 CD1 ILE A 48 -12.981 -21.466 -3.621 1.00 0.00 C ATOM 0 H ILE A 48 -11.557 -18.318 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.282 -18.003 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.526 -20.446 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -14.090 -19.639 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.361 -19.441 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -14.528 -21.868 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.707 -20.865 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.540 -20.405 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -12.859 -21.405 -4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.082 -21.896 -3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -13.838 -22.098 -3.388 1.00 0.00 H new ATOM 781 N SER A 49 -12.818 -18.578 1.374 1.00 0.00 N ATOM 782 CA SER A 49 -12.977 -18.530 2.845 1.00 0.00 C ATOM 783 C SER A 49 -13.482 -17.152 3.309 1.00 0.00 C ATOM 784 O SER A 49 -14.413 -17.058 4.114 1.00 0.00 O ATOM 785 CB SER A 49 -11.634 -18.850 3.534 1.00 0.00 C ATOM 786 OG SER A 49 -11.746 -18.791 4.943 1.00 0.00 O ATOM 0 H SER A 49 -11.851 -18.699 1.072 1.00 0.00 H new ATOM 0 HA SER A 49 -13.719 -19.278 3.125 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.299 -19.844 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.875 -18.144 3.199 1.00 0.00 H new ATOM 0 HG SER A 49 -10.879 -19.000 5.349 1.00 0.00 H new ATOM 792 N SER A 50 -12.857 -16.097 2.770 1.00 0.00 N ATOM 793 CA SER A 50 -13.187 -14.695 3.099 1.00 0.00 C ATOM 794 C SER A 50 -14.438 -14.221 2.313 1.00 0.00 C ATOM 795 O SER A 50 -14.914 -13.090 2.503 1.00 0.00 O ATOM 796 CB SER A 50 -11.961 -13.805 2.775 1.00 0.00 C ATOM 797 OG SER A 50 -12.147 -12.458 3.177 1.00 0.00 O ATOM 0 H SER A 50 -12.103 -16.188 2.089 1.00 0.00 H new ATOM 0 HA SER A 50 -13.423 -14.617 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.080 -14.211 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.766 -13.837 1.703 1.00 0.00 H new ATOM 0 HG SER A 50 -11.373 -12.163 3.700 1.00 0.00 H new ATOM 803 N GLY A 51 -14.940 -15.099 1.416 1.00 0.00 N ATOM 804 CA GLY A 51 -16.131 -14.838 0.621 1.00 0.00 C ATOM 805 C GLY A 51 -15.823 -13.921 -0.554 1.00 0.00 C ATOM 806 O GLY A 51 -15.471 -14.396 -1.636 1.00 0.00 O ATOM 0 H GLY A 51 -14.518 -16.009 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.538 -15.780 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.897 -14.383 1.249 1.00 0.00 H new ATOM 810 N ALA A 52 -15.905 -12.601 -0.318 1.00 0.00 N ATOM 811 CA ALA A 52 -15.673 -11.576 -1.351 1.00 0.00 C ATOM 812 C ALA A 52 -14.939 -10.353 -0.762 1.00 0.00 C ATOM 813 O ALA A 52 -14.842 -9.307 -1.418 1.00 0.00 O ATOM 814 CB ALA A 52 -17.015 -11.179 -1.994 1.00 0.00 C ATOM 0 H ALA A 52 -16.135 -12.213 0.597 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.028 -11.990 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.842 -10.421 -2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.473 -12.056 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.680 -10.779 -1.229 1.00 0.00 H new ATOM 820 N GLU A 53 -14.427 -10.483 0.484 1.00 0.00 N ATOM 821 CA GLU A 53 -13.579 -9.448 1.115 1.00 0.00 C ATOM 822 C GLU A 53 -12.164 -9.530 0.519 1.00 0.00 C ATOM 823 O GLU A 53 -11.609 -8.518 0.072 1.00 0.00 O ATOM 824 CB GLU A 53 -13.557 -9.618 2.653 1.00 0.00 C ATOM 825 CG GLU A 53 -12.672 -8.603 3.404 1.00 0.00 C ATOM 826 CD GLU A 53 -12.741 -8.772 4.930 1.00 0.00 C ATOM 827 OE1 GLU A 53 -12.139 -9.734 5.449 1.00 0.00 O ATOM 828 OE2 GLU A 53 -13.434 -7.982 5.615 1.00 0.00 O ATOM 0 H GLU A 53 -14.588 -11.299 1.074 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.992 -8.461 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.577 -9.536 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.211 -10.624 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.639 -8.716 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.982 -7.592 3.140 1.00 0.00 H new ATOM 835 N LEU A 54 -11.587 -10.749 0.533 1.00 0.00 N ATOM 836 CA LEU A 54 -10.396 -11.075 -0.265 1.00 0.00 C ATOM 837 C LEU A 54 -10.840 -11.642 -1.618 1.00 0.00 C ATOM 838 O LEU A 54 -11.996 -12.073 -1.787 1.00 0.00 O ATOM 839 CB LEU A 54 -9.458 -12.084 0.465 1.00 0.00 C ATOM 840 CG LEU A 54 -8.820 -11.595 1.806 1.00 0.00 C ATOM 841 CD1 LEU A 54 -7.827 -12.645 2.367 1.00 0.00 C ATOM 842 CD2 LEU A 54 -8.156 -10.207 1.641 1.00 0.00 C ATOM 0 H LEU A 54 -11.933 -11.527 1.094 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.823 -10.160 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.025 -12.992 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.653 -12.357 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.622 -11.482 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.398 -12.279 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.354 -13.581 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.030 -12.815 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.722 -9.896 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.372 -10.266 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.906 -9.480 1.329 1.00 0.00 H new ATOM 854 N ALA A 55 -9.906 -11.660 -2.564 1.00 0.00 N ATOM 855 CA ALA A 55 -10.152 -12.087 -3.944 1.00 0.00 C ATOM 856 C ALA A 55 -9.036 -13.024 -4.411 1.00 0.00 C ATOM 857 O ALA A 55 -7.959 -13.078 -3.808 1.00 0.00 O ATOM 858 CB ALA A 55 -10.266 -10.854 -4.857 1.00 0.00 C ATOM 0 H ALA A 55 -8.941 -11.375 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.092 -12.636 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.449 -11.176 -5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.092 -10.227 -4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.338 -10.284 -4.816 1.00 0.00 H new ATOM 864 N ILE A 56 -9.322 -13.794 -5.469 1.00 0.00 N ATOM 865 CA ILE A 56 -8.317 -14.647 -6.118 1.00 0.00 C ATOM 866 C ILE A 56 -7.282 -13.735 -6.812 1.00 0.00 C ATOM 867 O ILE A 56 -7.625 -13.006 -7.745 1.00 0.00 O ATOM 868 CB ILE A 56 -8.988 -15.632 -7.154 1.00 0.00 C ATOM 869 CG1 ILE A 56 -10.049 -16.537 -6.442 1.00 0.00 C ATOM 870 CG2 ILE A 56 -7.931 -16.489 -7.898 1.00 0.00 C ATOM 871 CD1 ILE A 56 -10.802 -17.501 -7.360 1.00 0.00 C ATOM 0 H ILE A 56 -10.247 -13.844 -5.896 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.822 -15.265 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.498 -15.029 -7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.548 -17.116 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.774 -15.895 -5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.432 -17.154 -8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.248 -15.835 -8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.369 -17.082 -7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.513 -18.082 -6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.338 -16.934 -8.121 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.093 -18.174 -7.841 1.00 0.00 H new ATOM 883 N GLY A 57 -6.038 -13.758 -6.316 1.00 0.00 N ATOM 884 CA GLY A 57 -4.980 -12.850 -6.779 1.00 0.00 C ATOM 885 C GLY A 57 -4.492 -11.890 -5.702 1.00 0.00 C ATOM 886 O GLY A 57 -3.531 -11.138 -5.934 1.00 0.00 O ATOM 0 H GLY A 57 -5.737 -14.403 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.137 -13.440 -7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.351 -12.275 -7.627 1.00 0.00 H new ATOM 890 N THR A 58 -5.163 -11.898 -4.530 1.00 0.00 N ATOM 891 CA THR A 58 -4.706 -11.162 -3.329 1.00 0.00 C ATOM 892 C THR A 58 -3.267 -11.585 -2.958 1.00 0.00 C ATOM 893 O THR A 58 -2.941 -12.757 -2.962 1.00 0.00 O ATOM 894 CB THR A 58 -5.694 -11.400 -2.128 1.00 0.00 C ATOM 895 OG1 THR A 58 -6.960 -10.795 -2.432 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.177 -10.859 -0.776 1.00 0.00 C ATOM 0 H THR A 58 -6.033 -12.412 -4.389 1.00 0.00 H new ATOM 0 HA THR A 58 -4.700 -10.095 -3.552 1.00 0.00 H new ATOM 0 HB THR A 58 -5.788 -12.480 -2.011 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.394 -10.510 -1.601 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.913 -11.061 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.237 -11.350 -0.523 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.015 -9.784 -0.852 1.00 0.00 H new ATOM 904 N VAL A 59 -2.399 -10.608 -2.724 1.00 0.00 N ATOM 905 CA VAL A 59 -0.991 -10.845 -2.392 1.00 0.00 C ATOM 906 C VAL A 59 -0.797 -10.812 -0.867 1.00 0.00 C ATOM 907 O VAL A 59 -1.013 -9.774 -0.237 1.00 0.00 O ATOM 908 CB VAL A 59 -0.084 -9.768 -3.092 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.424 -10.001 -2.797 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.379 -9.729 -4.621 1.00 0.00 C ATOM 0 H VAL A 59 -2.650 -9.620 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.699 -11.830 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.330 -8.792 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.015 -9.235 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.597 -9.947 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.718 -10.985 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.255 -8.980 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.173 -10.707 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.426 -9.473 -4.783 1.00 0.00 H new ATOM 920 N ARG A 60 -0.439 -11.964 -0.279 1.00 0.00 N ATOM 921 CA ARG A 60 -0.073 -12.049 1.149 1.00 0.00 C ATOM 922 C ARG A 60 1.426 -11.776 1.303 1.00 0.00 C ATOM 923 O ARG A 60 2.233 -12.161 0.450 1.00 0.00 O ATOM 924 CB ARG A 60 -0.426 -13.430 1.742 1.00 0.00 C ATOM 925 CG ARG A 60 -1.921 -13.755 1.700 1.00 0.00 C ATOM 926 CD ARG A 60 -2.236 -15.159 2.222 1.00 0.00 C ATOM 927 NE ARG A 60 -1.916 -15.315 3.652 1.00 0.00 N ATOM 928 CZ ARG A 60 -1.828 -16.479 4.286 1.00 0.00 C ATOM 929 NH1 ARG A 60 -1.855 -17.625 3.623 1.00 0.00 N ATOM 930 NH2 ARG A 60 -1.665 -16.491 5.584 1.00 0.00 N ATOM 0 H ARG A 60 -0.394 -12.856 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.644 -11.300 1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.119 -14.200 1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.084 -13.470 2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.465 -13.021 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.280 -13.664 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.293 -15.373 2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.673 -15.892 1.645 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.750 -14.467 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.945 -17.624 2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.786 -18.508 4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.607 -15.612 6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.596 -17.379 6.081 1.00 0.00 H new ATOM 944 N ILE A 61 1.770 -11.094 2.385 1.00 0.00 N ATOM 945 CA ILE A 61 3.126 -10.598 2.650 1.00 0.00 C ATOM 946 C ILE A 61 3.427 -10.799 4.137 1.00 0.00 C ATOM 947 O ILE A 61 2.849 -10.146 5.007 1.00 0.00 O ATOM 948 CB ILE A 61 3.269 -9.084 2.230 1.00 0.00 C ATOM 949 CG1 ILE A 61 3.001 -8.918 0.690 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.654 -8.517 2.635 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.787 -7.506 0.219 1.00 0.00 C ATOM 0 H ILE A 61 1.106 -10.861 3.123 1.00 0.00 H new ATOM 0 HA ILE A 61 3.849 -11.155 2.054 1.00 0.00 H new ATOM 0 HB ILE A 61 2.518 -8.504 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.845 -9.341 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.123 -9.508 0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.722 -7.472 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.775 -8.590 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.440 -9.089 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.611 -7.504 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.923 -7.079 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.672 -6.910 0.443 1.00 0.00 H new ATOM 963 N TRP A 62 4.309 -11.756 4.400 1.00 0.00 N ATOM 964 CA TRP A 62 4.665 -12.195 5.749 1.00 0.00 C ATOM 965 C TRP A 62 5.978 -11.538 6.174 1.00 0.00 C ATOM 966 O TRP A 62 7.011 -11.791 5.574 1.00 0.00 O ATOM 967 CB TRP A 62 4.786 -13.747 5.775 1.00 0.00 C ATOM 968 CG TRP A 62 3.462 -14.481 5.725 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.366 -14.206 4.945 1.00 0.00 C ATOM 970 CD2 TRP A 62 3.113 -15.626 6.501 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.361 -15.091 5.221 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.800 -15.977 6.170 1.00 0.00 C ATOM 973 CE3 TRP A 62 3.792 -16.375 7.457 1.00 0.00 C ATOM 974 CZ2 TRP A 62 1.155 -17.051 6.765 1.00 0.00 C ATOM 975 CZ3 TRP A 62 3.156 -17.440 8.045 1.00 0.00 C ATOM 976 CH2 TRP A 62 1.848 -17.770 7.694 1.00 0.00 C ATOM 0 H TRP A 62 4.809 -12.261 3.668 1.00 0.00 H new ATOM 0 HA TRP A 62 3.888 -11.896 6.452 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.396 -14.065 4.930 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.317 -14.042 6.680 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.306 -13.408 4.220 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.436 -15.092 4.791 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.805 -16.122 7.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.140 -17.309 6.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.675 -18.028 8.787 1.00 0.00 H new ATOM 0 HH2 TRP A 62 1.372 -18.615 8.169 1.00 0.00 H new ATOM 987 N ILE A 63 5.930 -10.713 7.226 1.00 0.00 N ATOM 988 CA ILE A 63 7.114 -10.026 7.787 1.00 0.00 C ATOM 989 C ILE A 63 7.149 -10.281 9.290 1.00 0.00 C ATOM 990 O ILE A 63 6.144 -10.692 9.864 1.00 0.00 O ATOM 991 CB ILE A 63 7.098 -8.472 7.509 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.847 -7.782 8.136 1.00 0.00 C ATOM 993 CG2 ILE A 63 7.181 -8.181 5.996 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.870 -6.255 8.104 1.00 0.00 C ATOM 0 H ILE A 63 5.064 -10.497 7.721 1.00 0.00 H new ATOM 0 HA ILE A 63 8.004 -10.425 7.301 1.00 0.00 H new ATOM 0 HB ILE A 63 7.980 -8.049 7.990 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.957 -8.128 7.610 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.752 -8.108 9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.168 -7.104 5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.105 -8.598 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.329 -8.635 5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.960 -5.868 8.562 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.737 -5.893 8.657 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.930 -5.914 7.071 1.00 0.00 H new ATOM 1006 N ARG A 64 8.316 -10.106 9.925 1.00 0.00 N ATOM 1007 CA ARG A 64 8.407 -10.019 11.403 1.00 0.00 C ATOM 1008 C ARG A 64 7.518 -8.870 11.945 1.00 0.00 C ATOM 1009 O ARG A 64 7.199 -7.928 11.207 1.00 0.00 O ATOM 1010 CB ARG A 64 9.881 -9.828 11.839 1.00 0.00 C ATOM 1011 CG ARG A 64 10.820 -10.966 11.384 1.00 0.00 C ATOM 1012 CD ARG A 64 12.276 -10.776 11.844 1.00 0.00 C ATOM 1013 NE ARG A 64 12.914 -9.559 11.294 1.00 0.00 N ATOM 1014 CZ ARG A 64 14.231 -9.294 11.358 1.00 0.00 C ATOM 1015 NH1 ARG A 64 15.081 -10.181 11.863 1.00 0.00 N ATOM 1016 NH2 ARG A 64 14.694 -8.150 10.895 1.00 0.00 N ATOM 0 H ARG A 64 9.213 -10.021 9.446 1.00 0.00 H new ATOM 0 HA ARG A 64 8.039 -10.954 11.827 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.249 -8.884 11.437 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.921 -9.749 12.925 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.445 -11.913 11.771 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.796 -11.034 10.296 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.302 -10.730 12.933 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.859 -11.648 11.548 1.00 0.00 H new ATOM 0 HE ARG A 64 12.314 -8.874 10.835 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.738 -11.077 12.209 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.077 -9.966 11.905 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.054 -7.468 10.489 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.692 -7.947 10.943 1.00 0.00 H new ATOM 1030 N TYR A 65 7.139 -8.961 13.236 1.00 0.00 N ATOM 1031 CA TYR A 65 6.147 -8.054 13.858 1.00 0.00 C ATOM 1032 C TYR A 65 6.579 -6.580 13.736 1.00 0.00 C ATOM 1033 O TYR A 65 7.570 -6.167 14.342 1.00 0.00 O ATOM 1034 CB TYR A 65 5.914 -8.433 15.344 1.00 0.00 C ATOM 1035 CG TYR A 65 4.763 -7.641 16.013 1.00 0.00 C ATOM 1036 CD1 TYR A 65 4.984 -6.411 16.654 1.00 0.00 C ATOM 1037 CD2 TYR A 65 3.448 -8.111 15.967 1.00 0.00 C ATOM 1038 CE1 TYR A 65 3.945 -5.691 17.210 1.00 0.00 C ATOM 1039 CE2 TYR A 65 2.411 -7.394 16.530 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.660 -6.190 17.147 1.00 0.00 C ATOM 1041 OH TYR A 65 1.619 -5.477 17.702 1.00 0.00 O ATOM 0 H TYR A 65 7.510 -9.663 13.877 1.00 0.00 H new ATOM 0 HA TYR A 65 5.207 -8.171 13.319 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.696 -9.499 15.408 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.834 -8.262 15.903 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.989 -6.020 16.713 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.239 -9.053 15.482 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.137 -4.743 17.691 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.403 -7.779 16.486 1.00 0.00 H new ATOM 0 HH TYR A 65 0.780 -5.967 17.571 1.00 0.00 H new ATOM 1051 N ARG A 66 5.824 -5.813 12.937 1.00 0.00 N ATOM 1052 CA ARG A 66 6.049 -4.380 12.745 1.00 0.00 C ATOM 1053 C ARG A 66 4.689 -3.647 12.715 1.00 0.00 C ATOM 1054 O ARG A 66 3.960 -3.702 11.721 1.00 0.00 O ATOM 1055 CB ARG A 66 6.874 -4.119 11.448 1.00 0.00 C ATOM 1056 CG ARG A 66 7.221 -2.633 11.202 1.00 0.00 C ATOM 1057 CD ARG A 66 8.133 -2.417 9.984 1.00 0.00 C ATOM 1058 NE ARG A 66 8.372 -0.977 9.729 1.00 0.00 N ATOM 1059 CZ ARG A 66 9.566 -0.360 9.765 1.00 0.00 C ATOM 1060 NH1 ARG A 66 10.684 -1.034 10.007 1.00 0.00 N ATOM 1061 NH2 ARG A 66 9.630 0.946 9.550 1.00 0.00 N ATOM 0 H ARG A 66 5.034 -6.176 12.403 1.00 0.00 H new ATOM 0 HA ARG A 66 6.633 -3.989 13.578 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.800 -4.692 11.499 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.313 -4.495 10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.298 -2.070 11.061 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.709 -2.229 12.089 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.086 -2.921 10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.679 -2.872 9.104 1.00 0.00 H new ATOM 0 HE ARG A 66 7.559 -0.403 9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.648 -2.040 10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.579 -0.546 10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.778 1.474 9.359 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.531 1.423 9.575 1.00 0.00 H new ATOM 1075 N LYS A 67 4.360 -2.967 13.838 1.00 0.00 N ATOM 1076 CA LYS A 67 3.101 -2.191 14.016 1.00 0.00 C ATOM 1077 C LYS A 67 3.183 -0.787 13.352 1.00 0.00 C ATOM 1078 O LYS A 67 2.296 0.057 13.537 1.00 0.00 O ATOM 1079 CB LYS A 67 2.777 -2.063 15.531 1.00 0.00 C ATOM 1080 CG LYS A 67 3.849 -1.314 16.364 1.00 0.00 C ATOM 1081 CD LYS A 67 3.440 -1.138 17.842 1.00 0.00 C ATOM 1082 CE LYS A 67 4.501 -0.373 18.656 1.00 0.00 C ATOM 1083 NZ LYS A 67 4.751 1.001 18.127 1.00 0.00 N ATOM 0 H LYS A 67 4.966 -2.939 14.658 1.00 0.00 H new ATOM 0 HA LYS A 67 2.297 -2.732 13.517 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.824 -1.546 15.642 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.647 -3.062 15.946 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.790 -1.862 16.315 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.027 -0.334 15.922 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.491 -0.603 17.893 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.278 -2.118 18.291 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.177 -0.305 19.695 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.434 -0.936 18.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.354 1.525 18.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.228 0.937 17.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.845 1.500 18.014 1.00 0.00 H new ATOM 1097 N ASP A 68 4.234 -0.573 12.547 1.00 0.00 N ATOM 1098 CA ASP A 68 4.502 0.703 11.854 1.00 0.00 C ATOM 1099 C ASP A 68 3.800 0.713 10.483 1.00 0.00 C ATOM 1100 O ASP A 68 3.459 1.781 9.959 1.00 0.00 O ATOM 1101 CB ASP A 68 6.045 0.861 11.683 1.00 0.00 C ATOM 1102 CG ASP A 68 6.481 1.987 10.726 1.00 0.00 C ATOM 1103 OD1 ASP A 68 6.489 3.162 11.135 1.00 0.00 O ATOM 1104 OD2 ASP A 68 6.813 1.688 9.551 1.00 0.00 O ATOM 0 H ASP A 68 4.934 -1.290 12.354 1.00 0.00 H new ATOM 0 HA ASP A 68 4.114 1.537 12.439 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.487 1.045 12.662 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.454 -0.082 11.321 1.00 0.00 H new ATOM 1109 N ILE A 69 3.546 -0.493 9.939 1.00 0.00 N ATOM 1110 CA ILE A 69 2.878 -0.668 8.636 1.00 0.00 C ATOM 1111 C ILE A 69 1.412 -0.252 8.768 1.00 0.00 C ATOM 1112 O ILE A 69 0.742 -0.665 9.718 1.00 0.00 O ATOM 1113 CB ILE A 69 2.947 -2.159 8.127 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.390 -2.738 8.277 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.443 -2.263 6.659 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.475 -1.914 7.619 1.00 0.00 C ATOM 0 H ILE A 69 3.798 -1.372 10.391 1.00 0.00 H new ATOM 0 HA ILE A 69 3.397 -0.044 7.908 1.00 0.00 H new ATOM 0 HB ILE A 69 2.287 -2.762 8.750 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.619 -2.834 9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.409 -3.743 7.854 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.499 -3.300 6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.410 -1.920 6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.066 -1.642 6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.441 -2.393 7.776 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.276 -1.838 6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.490 -0.916 8.057 1.00 0.00 H new ATOM 1128 N ASN A 70 0.929 0.572 7.837 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.456 1.067 7.848 1.00 0.00 C ATOM 1130 C ASN A 70 -1.161 0.639 6.556 1.00 0.00 C ATOM 1131 O ASN A 70 -0.505 0.305 5.573 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.476 2.613 8.006 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.852 3.148 8.410 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -2.657 3.533 7.566 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -2.147 3.124 9.706 1.00 0.00 N ATOM 0 H ASN A 70 1.483 0.917 7.053 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.988 0.637 8.697 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.258 2.907 8.756 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.173 3.074 7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.066 3.431 10.026 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.455 2.798 10.381 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.500 0.662 6.572 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.329 0.270 5.420 1.00 0.00 C ATOM 1144 C ALA A 71 -3.206 1.278 4.252 1.00 0.00 C ATOM 1145 O ALA A 71 -3.417 0.921 3.086 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.791 0.105 5.871 1.00 0.00 C ATOM 0 H ALA A 71 -3.042 0.953 7.385 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.966 -0.686 5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.404 -0.185 5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.850 -0.666 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.156 1.049 6.276 1.00 0.00 H new ATOM 1152 N THR A 72 -2.841 2.530 4.590 1.00 0.00 N ATOM 1153 CA THR A 72 -2.646 3.614 3.608 1.00 0.00 C ATOM 1154 C THR A 72 -1.266 3.536 2.942 1.00 0.00 C ATOM 1155 O THR A 72 -0.989 4.299 2.018 1.00 0.00 O ATOM 1156 CB THR A 72 -2.831 5.023 4.269 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.888 5.196 5.341 1.00 0.00 O ATOM 1158 CG2 THR A 72 -4.252 5.217 4.813 1.00 0.00 C ATOM 0 H THR A 72 -2.673 2.818 5.554 1.00 0.00 H new ATOM 0 HA THR A 72 -3.409 3.481 2.841 1.00 0.00 H new ATOM 0 HB THR A 72 -2.656 5.769 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.166 4.657 6.111 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.338 6.206 5.263 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.969 5.126 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.460 4.457 5.566 1.00 0.00 H new ATOM 1166 N SER A 73 -0.394 2.638 3.431 1.00 0.00 N ATOM 1167 CA SER A 73 0.905 2.378 2.808 1.00 0.00 C ATOM 1168 C SER A 73 0.715 1.468 1.573 1.00 0.00 C ATOM 1169 O SER A 73 -0.317 0.789 1.431 1.00 0.00 O ATOM 1170 CB SER A 73 1.867 1.738 3.845 1.00 0.00 C ATOM 1171 OG SER A 73 1.943 2.523 5.029 1.00 0.00 O ATOM 0 H SER A 73 -0.573 2.078 4.264 1.00 0.00 H new ATOM 0 HA SER A 73 1.350 3.315 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.523 0.734 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.861 1.636 3.409 1.00 0.00 H new ATOM 0 HG SER A 73 2.554 2.097 5.666 1.00 0.00 H new ATOM 1177 N ARG A 74 1.684 1.508 0.659 1.00 0.00 N ATOM 1178 CA ARG A 74 1.767 0.581 -0.487 1.00 0.00 C ATOM 1179 C ARG A 74 3.034 -0.252 -0.359 1.00 0.00 C ATOM 1180 O ARG A 74 4.033 0.208 0.195 1.00 0.00 O ATOM 1181 CB ARG A 74 1.760 1.360 -1.828 1.00 0.00 C ATOM 1182 CG ARG A 74 0.389 1.943 -2.204 1.00 0.00 C ATOM 1183 CD ARG A 74 0.473 2.957 -3.352 1.00 0.00 C ATOM 1184 NE ARG A 74 1.146 2.445 -4.563 1.00 0.00 N ATOM 1185 CZ ARG A 74 1.862 3.202 -5.411 1.00 0.00 C ATOM 1186 NH1 ARG A 74 2.036 4.497 -5.182 1.00 0.00 N ATOM 1187 NH2 ARG A 74 2.397 2.662 -6.485 1.00 0.00 N ATOM 0 H ARG A 74 2.444 2.188 0.687 1.00 0.00 H new ATOM 0 HA ARG A 74 0.897 -0.076 -0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.485 2.172 -1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.091 0.694 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.281 1.132 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.049 2.425 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.536 3.274 -3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.003 3.842 -3.002 1.00 0.00 H new ATOM 0 HE ARG A 74 1.061 1.450 -4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.624 4.928 -4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.582 5.061 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.268 1.668 -6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.940 3.237 -7.128 1.00 0.00 H new ATOM 1201 N ILE A 75 2.983 -1.487 -0.859 1.00 0.00 N ATOM 1202 CA ILE A 75 4.113 -2.409 -0.806 1.00 0.00 C ATOM 1203 C ILE A 75 4.647 -2.665 -2.219 1.00 0.00 C ATOM 1204 O ILE A 75 3.943 -3.215 -3.056 1.00 0.00 O ATOM 1205 CB ILE A 75 3.713 -3.774 -0.151 1.00 0.00 C ATOM 1206 CG1 ILE A 75 3.090 -3.581 1.270 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.938 -4.702 -0.106 1.00 0.00 C ATOM 1208 CD1 ILE A 75 4.006 -2.957 2.300 1.00 0.00 C ATOM 0 H ILE A 75 2.155 -1.875 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 75 4.886 -1.947 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 75 2.941 -4.237 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.199 -2.960 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.763 -4.553 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.658 -5.652 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.298 -4.878 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.727 -4.235 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.478 -2.867 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.887 -3.586 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.314 -1.968 1.961 1.00 0.00 H new ATOM 1220 N LYS A 76 5.897 -2.280 -2.468 1.00 0.00 N ATOM 1221 CA LYS A 76 6.592 -2.591 -3.722 1.00 0.00 C ATOM 1222 C LYS A 76 7.601 -3.703 -3.459 1.00 0.00 C ATOM 1223 O LYS A 76 8.436 -3.581 -2.562 1.00 0.00 O ATOM 1224 CB LYS A 76 7.295 -1.335 -4.266 1.00 0.00 C ATOM 1225 CG LYS A 76 8.147 -1.575 -5.538 1.00 0.00 C ATOM 1226 CD LYS A 76 8.741 -0.265 -6.109 1.00 0.00 C ATOM 1227 CE LYS A 76 9.448 0.568 -5.034 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.115 1.777 -5.573 1.00 0.00 N ATOM 0 H LYS A 76 6.460 -1.743 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 76 5.874 -2.924 -4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.541 -0.579 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.937 -0.927 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.957 -2.266 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.531 -2.053 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.448 -0.505 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.944 0.327 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.720 0.869 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.189 -0.054 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.168 2.504 -4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.076 1.533 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.570 2.144 -6.379 1.00 0.00 H new ATOM 1242 N VAL A 77 7.520 -4.791 -4.231 1.00 0.00 N ATOM 1243 CA VAL A 77 8.418 -5.945 -4.063 1.00 0.00 C ATOM 1244 C VAL A 77 9.792 -5.642 -4.695 1.00 0.00 C ATOM 1245 O VAL A 77 9.946 -5.622 -5.922 1.00 0.00 O ATOM 1246 CB VAL A 77 7.784 -7.256 -4.655 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.740 -8.465 -4.563 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.461 -7.571 -3.940 1.00 0.00 C ATOM 0 H VAL A 77 6.839 -4.900 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 77 8.563 -6.118 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 77 7.595 -7.075 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.255 -9.345 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.652 -8.251 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.989 -8.653 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.030 -8.481 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.648 -7.713 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.766 -6.743 -4.079 1.00 0.00 H new ATOM 1258 N SER A 78 10.757 -5.349 -3.814 1.00 0.00 N ATOM 1259 CA SER A 78 12.153 -5.063 -4.187 1.00 0.00 C ATOM 1260 C SER A 78 12.862 -6.316 -4.749 1.00 0.00 C ATOM 1261 O SER A 78 13.833 -6.202 -5.500 1.00 0.00 O ATOM 1262 CB SER A 78 12.918 -4.505 -2.970 1.00 0.00 C ATOM 1263 OG SER A 78 14.234 -4.095 -3.310 1.00 0.00 O ATOM 0 H SER A 78 10.591 -5.303 -2.809 1.00 0.00 H new ATOM 0 HA SER A 78 12.145 -4.313 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.371 -3.659 -2.555 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.965 -5.267 -2.192 1.00 0.00 H new ATOM 0 HG SER A 78 14.508 -3.357 -2.726 1.00 0.00 H new ATOM 1269 N THR A 79 12.334 -7.494 -4.381 1.00 0.00 N ATOM 1270 CA THR A 79 12.838 -8.796 -4.838 1.00 0.00 C ATOM 1271 C THR A 79 11.878 -9.912 -4.397 1.00 0.00 C ATOM 1272 O THR A 79 11.390 -9.903 -3.259 1.00 0.00 O ATOM 1273 CB THR A 79 14.307 -9.085 -4.348 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.785 -10.308 -4.918 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.428 -9.146 -2.816 1.00 0.00 C ATOM 0 H THR A 79 11.536 -7.569 -3.750 1.00 0.00 H new ATOM 0 HA THR A 79 12.880 -8.768 -5.927 1.00 0.00 H new ATOM 0 HB THR A 79 14.919 -8.249 -4.686 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.699 -10.478 -4.609 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.463 -9.348 -2.541 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.118 -8.193 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.789 -9.941 -2.432 1.00 0.00 H new ATOM 1283 N GLY A 80 11.580 -10.840 -5.325 1.00 0.00 N ATOM 1284 CA GLY A 80 10.635 -11.930 -5.082 1.00 0.00 C ATOM 1285 C GLY A 80 9.929 -12.399 -6.350 1.00 0.00 C ATOM 1286 O GLY A 80 10.428 -12.145 -7.455 1.00 0.00 O ATOM 0 H GLY A 80 11.989 -10.850 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.166 -12.771 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.889 -11.603 -4.357 1.00 0.00 H new ATOM 1290 N PRO A 81 8.742 -13.084 -6.233 1.00 0.00 N ATOM 1291 CA PRO A 81 7.966 -13.576 -7.408 1.00 0.00 C ATOM 1292 C PRO A 81 7.291 -12.423 -8.188 1.00 0.00 C ATOM 1293 O PRO A 81 6.869 -12.593 -9.334 1.00 0.00 O ATOM 1294 CB PRO A 81 6.911 -14.513 -6.763 1.00 0.00 C ATOM 1295 CG PRO A 81 6.697 -13.937 -5.396 1.00 0.00 C ATOM 1296 CD PRO A 81 8.054 -13.425 -4.951 1.00 0.00 C ATOM 0 HA PRO A 81 8.595 -14.073 -8.146 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.986 -14.527 -7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.270 -15.541 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.963 -13.131 -5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.318 -14.692 -4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.960 -12.554 -4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.603 -14.182 -4.391 1.00 0.00 H new ATOM 1304 N LEU A 82 7.191 -11.254 -7.527 1.00 0.00 N ATOM 1305 CA LEU A 82 6.598 -10.029 -8.088 1.00 0.00 C ATOM 1306 C LEU A 82 7.641 -8.895 -8.061 1.00 0.00 C ATOM 1307 O LEU A 82 7.297 -7.735 -7.832 1.00 0.00 O ATOM 1308 CB LEU A 82 5.333 -9.653 -7.255 1.00 0.00 C ATOM 1309 CG LEU A 82 4.170 -10.696 -7.260 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.046 -10.280 -6.283 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.626 -10.922 -8.694 1.00 0.00 C ATOM 0 H LEU A 82 7.527 -11.134 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 82 6.299 -10.190 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.640 -9.486 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.945 -8.705 -7.629 1.00 0.00 H new ATOM 0 HG LEU A 82 4.571 -11.648 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.250 -11.024 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.449 -10.212 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.646 -9.311 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.818 -11.653 -8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.250 -9.980 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.428 -11.292 -9.333 1.00 0.00 H new ATOM 1323 N ALA A 83 8.919 -9.255 -8.313 1.00 0.00 N ATOM 1324 CA ALA A 83 10.069 -8.317 -8.250 1.00 0.00 C ATOM 1325 C ALA A 83 9.929 -7.173 -9.285 1.00 0.00 C ATOM 1326 O ALA A 83 10.217 -7.358 -10.470 1.00 0.00 O ATOM 1327 CB ALA A 83 11.386 -9.083 -8.462 1.00 0.00 C ATOM 0 H ALA A 83 9.186 -10.206 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 83 10.079 -7.861 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.223 -8.387 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.497 -9.838 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.372 -9.567 -9.438 1.00 0.00 H new ATOM 1333 N GLY A 84 9.447 -6.007 -8.811 1.00 0.00 N ATOM 1334 CA GLY A 84 9.227 -4.820 -9.658 1.00 0.00 C ATOM 1335 C GLY A 84 7.787 -4.305 -9.596 1.00 0.00 C ATOM 1336 O GLY A 84 7.517 -3.147 -9.936 1.00 0.00 O ATOM 0 H GLY A 84 9.200 -5.863 -7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.906 -4.026 -9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.476 -5.065 -10.690 1.00 0.00 H new ATOM 1340 N ARG A 85 6.868 -5.181 -9.169 1.00 0.00 N ATOM 1341 CA ARG A 85 5.434 -4.866 -9.026 1.00 0.00 C ATOM 1342 C ARG A 85 5.170 -4.105 -7.718 1.00 0.00 C ATOM 1343 O ARG A 85 5.731 -4.458 -6.672 1.00 0.00 O ATOM 1344 CB ARG A 85 4.605 -6.179 -9.044 1.00 0.00 C ATOM 1345 CG ARG A 85 4.708 -7.021 -10.348 1.00 0.00 C ATOM 1346 CD ARG A 85 3.844 -6.489 -11.521 1.00 0.00 C ATOM 1347 NE ARG A 85 4.260 -5.161 -12.030 1.00 0.00 N ATOM 1348 CZ ARG A 85 3.540 -4.025 -11.930 1.00 0.00 C ATOM 1349 NH1 ARG A 85 2.437 -3.976 -11.202 1.00 0.00 N ATOM 1350 NH2 ARG A 85 3.960 -2.922 -12.514 1.00 0.00 N ATOM 0 H ARG A 85 7.098 -6.140 -8.909 1.00 0.00 H new ATOM 0 HA ARG A 85 5.135 -4.233 -9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.923 -6.800 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.558 -5.929 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.750 -7.052 -10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.411 -8.046 -10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.882 -7.207 -12.340 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.805 -6.431 -11.195 1.00 0.00 H new ATOM 0 HE ARG A 85 5.166 -5.101 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.117 -4.807 -10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.906 -3.107 -11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.832 -2.925 -13.044 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.414 -2.064 -12.437 1.00 0.00 H new ATOM 1364 N VAL A 86 4.327 -3.063 -7.782 1.00 0.00 N ATOM 1365 CA VAL A 86 3.866 -2.337 -6.586 1.00 0.00 C ATOM 1366 C VAL A 86 2.418 -2.754 -6.272 1.00 0.00 C ATOM 1367 O VAL A 86 1.480 -2.413 -7.002 1.00 0.00 O ATOM 1368 CB VAL A 86 3.935 -0.776 -6.726 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.716 -0.097 -5.346 1.00 0.00 C ATOM 1370 CG2 VAL A 86 5.248 -0.308 -7.401 1.00 0.00 C ATOM 0 H VAL A 86 3.947 -2.701 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 86 4.544 -2.606 -5.776 1.00 0.00 H new ATOM 0 HB VAL A 86 3.126 -0.464 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.767 0.986 -5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.737 -0.375 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.490 -0.425 -4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.251 0.779 -7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.100 -0.633 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.319 -0.741 -8.399 1.00 0.00 H new ATOM 1380 N LEU A 87 2.291 -3.540 -5.216 1.00 0.00 N ATOM 1381 CA LEU A 87 1.003 -3.956 -4.642 1.00 0.00 C ATOM 1382 C LEU A 87 0.504 -2.855 -3.674 1.00 0.00 C ATOM 1383 O LEU A 87 1.291 -2.039 -3.179 1.00 0.00 O ATOM 1384 CB LEU A 87 1.116 -5.334 -3.914 1.00 0.00 C ATOM 1385 CG LEU A 87 1.819 -6.514 -4.679 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.281 -6.702 -6.111 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.349 -6.380 -4.682 1.00 0.00 C ATOM 0 H LEU A 87 3.094 -3.921 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 87 0.282 -4.085 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.652 -5.175 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.109 -5.658 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 87 1.567 -7.415 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.803 -7.530 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.214 -6.919 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.445 -5.789 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.787 -7.219 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.632 -5.447 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.716 -6.378 -3.656 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.813 -2.809 -3.434 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.445 -1.841 -2.511 1.00 0.00 C ATOM 1401 C ASN A 88 -2.105 -2.622 -1.371 1.00 0.00 C ATOM 1402 O ASN A 88 -2.678 -3.685 -1.621 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.506 -0.986 -3.263 1.00 0.00 C ATOM 1404 CG ASN A 88 -2.014 -0.299 -4.554 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.724 -0.012 -4.670 1.00 0.00 O flip ATOM 1406 ND2 ASN A 88 -2.802 -0.036 -5.462 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.479 -3.444 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.690 -1.164 -2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.352 -1.626 -3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.877 -0.219 -2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.791 -0.262 -5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.466 0.408 -6.317 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.082 -2.080 -0.138 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.560 -2.815 1.057 1.00 0.00 C ATOM 1415 C ILE A 89 -4.086 -2.695 1.152 1.00 0.00 C ATOM 1416 O ILE A 89 -4.629 -1.582 1.180 1.00 0.00 O ATOM 1417 CB ILE A 89 -1.892 -2.278 2.382 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.340 -2.384 2.286 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -2.429 -3.014 3.645 1.00 0.00 C ATOM 1420 CD1 ILE A 89 0.410 -1.793 3.471 1.00 0.00 C ATOM 0 H ILE A 89 -1.740 -1.140 0.060 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.275 -3.861 0.948 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.163 -1.228 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.066 -3.434 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.010 -1.881 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.942 -2.613 4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.506 -2.865 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.215 -4.080 3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.483 -1.911 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.171 -0.733 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.114 -2.310 4.384 1.00 0.00 H new ATOM 1432 N ILE A 90 -4.762 -3.851 1.184 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.230 -3.934 1.255 1.00 0.00 C ATOM 1434 C ILE A 90 -6.664 -4.343 2.669 1.00 0.00 C ATOM 1435 O ILE A 90 -6.030 -5.192 3.309 1.00 0.00 O ATOM 1436 CB ILE A 90 -6.827 -4.917 0.172 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.145 -6.321 0.232 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.709 -4.296 -1.238 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.745 -7.380 -0.684 1.00 0.00 C ATOM 0 H ILE A 90 -4.304 -4.762 1.161 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.630 -2.945 1.032 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.883 -5.066 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.090 -6.205 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.191 -6.685 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.124 -4.984 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.260 -3.356 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.660 -4.109 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.199 -8.316 -0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.792 -7.535 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.674 -7.048 -1.720 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.739 -3.701 3.151 1.00 0.00 N ATOM 1452 CA GLY A 91 -8.248 -3.929 4.499 1.00 0.00 C ATOM 1453 C GLY A 91 -7.372 -3.263 5.559 1.00 0.00 C ATOM 1454 O GLY A 91 -7.345 -2.035 5.656 1.00 0.00 O ATOM 0 H GLY A 91 -8.272 -3.015 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.265 -3.543 4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.299 -5.001 4.691 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.628 -4.079 6.328 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.745 -3.601 7.407 1.00 0.00 C ATOM 1460 C GLN A 92 -4.595 -4.611 7.631 1.00 0.00 C ATOM 1461 O GLN A 92 -4.839 -5.817 7.562 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.562 -3.406 8.722 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.188 -4.695 9.299 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.992 -4.472 10.582 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -7.440 -4.510 11.676 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -9.295 -4.252 10.458 1.00 0.00 N ATOM 0 H GLN A 92 -6.623 -5.093 6.218 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.318 -2.641 7.119 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.908 -2.968 9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.358 -2.686 8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.839 -5.140 8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.394 -5.415 9.499 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.722 -4.227 9.532 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.869 -4.108 11.289 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.326 -4.151 7.900 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.212 -5.064 8.266 1.00 0.00 C ATOM 1477 C PRO A 93 -2.477 -5.748 9.629 1.00 0.00 C ATOM 1478 O PRO A 93 -2.331 -5.129 10.695 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.970 -4.132 8.304 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.533 -2.768 8.558 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.867 -2.735 7.839 1.00 0.00 C ATOM 0 HA PRO A 93 -2.083 -5.888 7.564 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.276 -4.428 9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.420 -4.166 7.364 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.659 -2.589 9.626 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.866 -1.993 8.181 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.571 -2.063 8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.761 -2.391 6.810 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.903 -7.017 9.563 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.377 -7.791 10.726 1.00 0.00 C ATOM 1491 C LEU A 94 -2.158 -8.396 11.476 1.00 0.00 C ATOM 1492 O LEU A 94 -1.443 -9.212 10.897 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.385 -8.897 10.225 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.303 -9.623 11.281 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.551 -10.669 12.118 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.033 -8.605 12.182 1.00 0.00 C ATOM 0 H LEU A 94 -2.930 -7.544 8.690 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.906 -7.150 11.432 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.037 -8.437 9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.805 -9.663 9.710 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.051 -10.172 10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.239 -11.132 12.825 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.138 -11.434 11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.741 -10.185 12.664 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.658 -9.137 12.899 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.300 -8.001 12.717 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.658 -7.957 11.567 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.893 -8.006 12.769 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.786 -8.584 13.567 1.00 0.00 C ATOM 1510 C PRO A 95 -1.057 -10.054 13.958 1.00 0.00 C ATOM 1511 O PRO A 95 -2.188 -10.406 14.322 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.719 -7.653 14.811 1.00 0.00 C ATOM 1513 CG PRO A 95 -2.105 -7.101 14.955 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.640 -6.974 13.541 1.00 0.00 C ATOM 0 HA PRO A 95 0.154 -8.624 13.017 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.419 -8.205 15.702 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.011 -6.856 14.669 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.731 -7.763 15.553 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.092 -6.134 15.458 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.715 -7.152 13.505 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.468 -5.975 13.139 1.00 0.00 H new ATOM 1522 N ASP A 96 -0.018 -10.913 13.831 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.057 -12.311 14.315 1.00 0.00 C ATOM 1524 C ASP A 96 -0.463 -12.364 15.802 1.00 0.00 C ATOM 1525 O ASP A 96 0.005 -11.541 16.594 1.00 0.00 O ATOM 1526 CB ASP A 96 1.332 -12.959 14.121 1.00 0.00 C ATOM 1527 CG ASP A 96 1.472 -14.365 14.732 1.00 0.00 C ATOM 1528 OD1 ASP A 96 0.943 -15.334 14.154 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.108 -14.498 15.797 1.00 0.00 O ATOM 0 H ASP A 96 0.866 -10.657 13.392 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.801 -12.863 13.740 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.546 -13.018 13.054 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.087 -12.308 14.562 1.00 0.00 H new ATOM 1534 N ALA A 97 -1.310 -13.350 16.155 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.893 -13.498 17.505 1.00 0.00 C ATOM 1536 C ALA A 97 -0.811 -13.676 18.593 1.00 0.00 C ATOM 1537 O ALA A 97 -0.926 -13.124 19.690 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.880 -14.678 17.513 1.00 0.00 C ATOM 0 H ALA A 97 -1.613 -14.075 15.504 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.426 -12.578 17.745 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.309 -14.786 18.509 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.677 -14.491 16.793 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.354 -15.594 17.243 1.00 0.00 H new ATOM 1544 N ALA A 98 0.259 -14.419 18.262 1.00 0.00 N ATOM 1545 CA ALA A 98 1.392 -14.669 19.186 1.00 0.00 C ATOM 1546 C ALA A 98 2.441 -13.532 19.110 1.00 0.00 C ATOM 1547 O ALA A 98 3.439 -13.560 19.848 1.00 0.00 O ATOM 1548 CB ALA A 98 2.042 -16.035 18.879 1.00 0.00 C ATOM 0 H ALA A 98 0.368 -14.864 17.351 1.00 0.00 H new ATOM 0 HA ALA A 98 1.001 -14.690 20.203 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.872 -16.205 19.565 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.302 -16.826 19.002 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.412 -16.040 17.854 1.00 0.00 H new ATOM 1554 N ARG A 99 2.208 -12.556 18.189 1.00 0.00 N ATOM 1555 CA ARG A 99 3.055 -11.346 18.013 1.00 0.00 C ATOM 1556 C ARG A 99 4.471 -11.701 17.493 1.00 0.00 C ATOM 1557 O ARG A 99 5.406 -10.903 17.622 1.00 0.00 O ATOM 1558 CB ARG A 99 3.097 -10.473 19.330 1.00 0.00 C ATOM 1559 CG ARG A 99 1.942 -9.440 19.493 1.00 0.00 C ATOM 1560 CD ARG A 99 0.531 -10.049 19.459 1.00 0.00 C ATOM 1561 NE ARG A 99 -0.511 -9.003 19.528 1.00 0.00 N ATOM 1562 CZ ARG A 99 -1.556 -8.865 18.698 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -1.785 -9.731 17.722 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -2.377 -7.848 18.871 1.00 0.00 N ATOM 0 H ARG A 99 1.419 -12.589 17.543 1.00 0.00 H new ATOM 0 HA ARG A 99 2.590 -10.732 17.241 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.084 -11.144 20.189 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.046 -9.937 19.359 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.074 -8.913 20.438 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.022 -8.697 18.700 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.406 -10.629 18.545 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.411 -10.739 20.294 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.427 -8.319 20.280 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.160 -10.526 17.588 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.587 -9.603 17.105 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.212 -7.182 19.626 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.177 -7.727 18.250 1.00 0.00 H new ATOM 1578 N THR A 100 4.599 -12.877 16.851 1.00 0.00 N ATOM 1579 CA THR A 100 5.881 -13.365 16.301 1.00 0.00 C ATOM 1580 C THR A 100 6.123 -12.806 14.885 1.00 0.00 C ATOM 1581 O THR A 100 7.240 -12.897 14.358 1.00 0.00 O ATOM 1582 CB THR A 100 5.908 -14.927 16.254 1.00 0.00 C ATOM 1583 OG1 THR A 100 4.886 -15.409 15.371 1.00 0.00 O ATOM 1584 CG2 THR A 100 5.700 -15.542 17.646 1.00 0.00 C ATOM 0 H THR A 100 3.819 -13.516 16.698 1.00 0.00 H new ATOM 0 HA THR A 100 6.674 -13.014 16.961 1.00 0.00 H new ATOM 0 HB THR A 100 6.891 -15.226 15.890 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.007 -15.132 15.705 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.725 -16.629 17.571 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.493 -15.206 18.314 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.734 -15.228 18.042 1.00 0.00 H new ATOM 1592 N ARG A 101 5.067 -12.228 14.277 1.00 0.00 N ATOM 1593 CA ARG A 101 5.115 -11.730 12.896 1.00 0.00 C ATOM 1594 C ARG A 101 3.933 -10.771 12.617 1.00 0.00 C ATOM 1595 O ARG A 101 3.187 -10.393 13.534 1.00 0.00 O ATOM 1596 CB ARG A 101 5.126 -12.922 11.886 1.00 0.00 C ATOM 1597 CG ARG A 101 3.809 -13.711 11.819 1.00 0.00 C ATOM 1598 CD ARG A 101 3.831 -14.845 10.799 1.00 0.00 C ATOM 1599 NE ARG A 101 4.737 -15.956 11.189 1.00 0.00 N ATOM 1600 CZ ARG A 101 5.818 -16.378 10.503 1.00 0.00 C ATOM 1601 NH1 ARG A 101 6.233 -15.736 9.410 1.00 0.00 N ATOM 1602 NH2 ARG A 101 6.498 -17.431 10.940 1.00 0.00 N ATOM 0 H ARG A 101 4.163 -12.096 14.731 1.00 0.00 H new ATOM 0 HA ARG A 101 6.038 -11.166 12.763 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.356 -12.538 10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.931 -13.605 12.158 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.591 -14.123 12.804 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.997 -13.027 11.573 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.820 -15.234 10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.143 -14.451 9.832 1.00 0.00 H new ATOM 0 HE ARG A 101 4.521 -16.445 12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 101 5.730 -14.912 9.081 1.00 0.00 H new ATOM 0 HH12 ARG A 101 7.053 -16.069 8.903 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.201 -17.914 11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.317 -17.758 10.428 1.00 0.00 H new ATOM 1616 N LEU A 102 3.781 -10.383 11.344 1.00 0.00 N ATOM 1617 CA LEU A 102 2.745 -9.455 10.887 1.00 0.00 C ATOM 1618 C LEU A 102 2.217 -9.964 9.525 1.00 0.00 C ATOM 1619 O LEU A 102 3.005 -10.189 8.591 1.00 0.00 O ATOM 1620 CB LEU A 102 3.331 -7.993 10.763 1.00 0.00 C ATOM 1621 CG LEU A 102 2.439 -6.804 11.253 1.00 0.00 C ATOM 1622 CD1 LEU A 102 1.036 -6.812 10.618 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.369 -6.771 12.793 1.00 0.00 C ATOM 0 H LEU A 102 4.386 -10.712 10.592 1.00 0.00 H new ATOM 0 HA LEU A 102 1.926 -9.413 11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.268 -7.960 11.319 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.576 -7.818 9.715 1.00 0.00 H new ATOM 0 HG LEU A 102 2.917 -5.885 10.915 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.462 -5.965 10.994 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.127 -6.736 9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.525 -7.740 10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.744 -5.937 13.111 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.941 -7.705 13.158 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.373 -6.648 13.200 1.00 0.00 H new ATOM 1635 N GLU A 103 0.895 -10.172 9.438 1.00 0.00 N ATOM 1636 CA GLU A 103 0.208 -10.567 8.199 1.00 0.00 C ATOM 1637 C GLU A 103 -0.177 -9.296 7.426 1.00 0.00 C ATOM 1638 O GLU A 103 -1.184 -8.643 7.751 1.00 0.00 O ATOM 1639 CB GLU A 103 -1.070 -11.396 8.538 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.899 -11.879 7.320 1.00 0.00 C ATOM 1641 CD GLU A 103 -1.216 -12.998 6.512 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -1.001 -14.091 7.088 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -0.913 -12.805 5.312 1.00 0.00 O ATOM 0 H GLU A 103 0.266 -10.070 10.234 1.00 0.00 H new ATOM 0 HA GLU A 103 0.867 -11.185 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.772 -12.268 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.714 -10.792 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.868 -12.235 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.089 -11.031 6.662 1.00 0.00 H new ATOM 1650 N ILE A 104 0.664 -8.888 6.469 1.00 0.00 N ATOM 1651 CA ILE A 104 0.338 -7.791 5.543 1.00 0.00 C ATOM 1652 C ILE A 104 -0.420 -8.392 4.359 1.00 0.00 C ATOM 1653 O ILE A 104 0.099 -9.270 3.676 1.00 0.00 O ATOM 1654 CB ILE A 104 1.628 -7.053 5.002 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.636 -6.737 6.150 1.00 0.00 C ATOM 1656 CG2 ILE A 104 1.259 -5.769 4.210 1.00 0.00 C ATOM 1657 CD1 ILE A 104 2.096 -5.872 7.262 1.00 0.00 C ATOM 0 H ILE A 104 1.583 -9.303 6.313 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.257 -7.052 6.079 1.00 0.00 H new ATOM 0 HB ILE A 104 2.123 -7.737 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.980 -7.678 6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.508 -6.245 5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.169 -5.287 3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.631 -6.034 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.717 -5.083 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.874 -5.712 8.009 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.780 -4.911 6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.243 -6.367 7.727 1.00 0.00 H new ATOM 1669 N LEU A 105 -1.649 -7.932 4.133 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.460 -8.353 2.983 1.00 0.00 C ATOM 1671 C LEU A 105 -2.555 -7.183 2.006 1.00 0.00 C ATOM 1672 O LEU A 105 -2.693 -6.017 2.393 1.00 0.00 O ATOM 1673 CB LEU A 105 -3.873 -8.895 3.383 1.00 0.00 C ATOM 1674 CG LEU A 105 -4.702 -8.047 4.405 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.205 -8.381 4.334 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.177 -8.240 5.843 1.00 0.00 C ATOM 0 H LEU A 105 -2.114 -7.257 4.740 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.966 -9.199 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.464 -9.000 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.746 -9.895 3.798 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.577 -7.000 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.747 -7.773 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.577 -8.171 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.354 -9.436 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.772 -7.639 6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.253 -9.291 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.135 -7.926 5.895 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.514 -7.543 0.742 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.372 -6.624 -0.381 1.00 0.00 C ATOM 1690 C CYS A 106 -3.058 -7.228 -1.597 1.00 0.00 C ATOM 1691 O CYS A 106 -3.546 -8.349 -1.555 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.871 -6.335 -0.672 1.00 0.00 C ATOM 1693 SG CYS A 106 0.014 -5.513 0.677 1.00 0.00 S ATOM 0 H CYS A 106 -2.581 -8.518 0.451 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.843 -5.672 -0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.370 -7.277 -0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.801 -5.715 -1.566 1.00 0.00 H new ATOM 0 HG CYS A 106 -0.806 -5.287 1.660 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.142 -6.451 -2.657 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.515 -6.935 -3.985 1.00 0.00 C ATOM 1701 C ARG A 107 -2.699 -6.147 -4.997 1.00 0.00 C ATOM 1702 O ARG A 107 -2.210 -5.056 -4.682 1.00 0.00 O ATOM 1703 CB ARG A 107 -5.040 -6.769 -4.267 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.502 -5.314 -4.529 1.00 0.00 C ATOM 1705 CD ARG A 107 -6.998 -5.226 -4.869 1.00 0.00 C ATOM 1706 NE ARG A 107 -7.431 -3.866 -5.230 1.00 0.00 N ATOM 1707 CZ ARG A 107 -8.695 -3.516 -5.517 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -9.701 -4.385 -5.399 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -8.945 -2.277 -5.896 1.00 0.00 N ATOM 0 H ARG A 107 -2.952 -5.449 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.307 -8.003 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.303 -7.379 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.597 -7.164 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.296 -4.706 -3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.920 -4.893 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.216 -5.902 -5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.579 -5.571 -4.014 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.719 -3.137 -5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.518 -5.338 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.653 -4.096 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.184 -1.602 -5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.900 -1.994 -6.118 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.544 -6.700 -6.194 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.959 -5.976 -7.320 1.00 0.00 C ATOM 1725 C GLU A 108 -2.754 -4.691 -7.626 1.00 0.00 C ATOM 1726 O GLU A 108 -3.977 -4.728 -7.799 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.853 -6.901 -8.560 1.00 0.00 C ATOM 1728 CG GLU A 108 -1.221 -6.233 -9.793 1.00 0.00 C ATOM 1729 CD GLU A 108 0.171 -5.614 -9.537 1.00 0.00 C ATOM 1730 OE1 GLU A 108 1.176 -6.347 -9.551 1.00 0.00 O ATOM 1731 OE2 GLU A 108 0.267 -4.381 -9.349 1.00 0.00 O ATOM 0 H GLU A 108 -2.818 -7.658 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.949 -5.668 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.264 -7.779 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.850 -7.253 -8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.136 -6.973 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.892 -5.453 -10.153 1.00 0.00 H new ATOM 1738 N GLY A 109 -2.029 -3.561 -7.678 1.00 0.00 N ATOM 1739 CA GLY A 109 -2.612 -2.242 -7.902 1.00 0.00 C ATOM 1740 C GLY A 109 -2.722 -1.918 -9.383 1.00 0.00 C ATOM 1741 O GLY A 109 -2.164 -0.915 -9.848 1.00 0.00 O ATOM 0 H GLY A 109 -1.016 -3.545 -7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.601 -2.200 -7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.001 -1.486 -7.409 1.00 0.00 H new ATOM 1745 N ALA A 110 -3.391 -2.820 -10.128 1.00 0.00 N ATOM 1746 CA ALA A 110 -3.601 -2.704 -11.581 1.00 0.00 C ATOM 1747 C ALA A 110 -4.255 -1.353 -11.957 1.00 0.00 C ATOM 1748 O ALA A 110 -5.475 -1.183 -11.851 1.00 0.00 O ATOM 1749 CB ALA A 110 -4.444 -3.894 -12.060 1.00 0.00 C ATOM 0 H ALA A 110 -3.806 -3.662 -9.729 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.634 -2.726 -12.084 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.605 -3.817 -13.135 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.921 -4.824 -11.837 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.406 -3.888 -11.548 1.00 0.00 H new ATOM 1755 N GLU A 111 -3.400 -0.388 -12.345 1.00 0.00 N ATOM 1756 CA GLU A 111 -3.801 1.007 -12.616 1.00 0.00 C ATOM 1757 C GLU A 111 -4.130 1.232 -14.108 1.00 0.00 C ATOM 1758 O GLU A 111 -4.499 2.346 -14.497 1.00 0.00 O ATOM 1759 CB GLU A 111 -2.666 1.966 -12.142 1.00 0.00 C ATOM 1760 CG GLU A 111 -1.350 1.877 -12.957 1.00 0.00 C ATOM 1761 CD GLU A 111 -0.187 2.698 -12.362 1.00 0.00 C ATOM 1762 OE1 GLU A 111 -0.227 3.948 -12.436 1.00 0.00 O ATOM 1763 OE2 GLU A 111 0.760 2.100 -11.800 1.00 0.00 O ATOM 0 H GLU A 111 -2.403 -0.555 -12.481 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.714 1.221 -12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.035 2.991 -12.186 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.443 1.752 -11.097 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.046 0.832 -13.025 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.540 2.220 -13.974 1.00 0.00 H new ATOM 1770 N LYS A 112 -3.972 0.175 -14.931 1.00 0.00 N ATOM 1771 CA LYS A 112 -4.265 0.226 -16.374 1.00 0.00 C ATOM 1772 C LYS A 112 -5.785 0.431 -16.593 1.00 0.00 C ATOM 1773 O LYS A 112 -6.197 1.534 -17.012 1.00 0.00 O ATOM 1774 CB LYS A 112 -3.756 -1.066 -17.079 1.00 0.00 C ATOM 1775 CG LYS A 112 -4.028 -1.127 -18.606 1.00 0.00 C ATOM 1776 CD LYS A 112 -3.494 -2.425 -19.267 1.00 0.00 C ATOM 1777 CE LYS A 112 -1.954 -2.498 -19.312 1.00 0.00 C ATOM 1778 NZ LYS A 112 -1.377 -1.454 -20.199 1.00 0.00 N ATOM 1779 OXT LYS A 112 -6.562 -0.488 -16.272 1.00 0.00 O ATOM 0 H LYS A 112 -3.638 -0.735 -14.613 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.739 1.071 -16.819 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.683 -1.155 -16.912 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.225 -1.929 -16.606 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.101 -1.052 -18.781 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.565 -0.265 -19.086 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.876 -3.287 -18.720 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -3.884 -2.494 -20.283 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.555 -2.380 -18.305 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.647 -3.483 -19.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.356 -1.619 -20.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.838 -1.496 -21.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.532 -0.516 -19.778 1.00 0.00 H new TER 1793 LYS A 112