USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 521 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 69 ASN : amide:sc= -0.18 X(o=-0.16,f=-0.5) USER MOD Set 1.2: A 79 THR OG1 : rot 50:sc= 0.0196 USER MOD Set 2.1: A 61 SER OG : rot -135:sc= 0.331 USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc=-0.00788 (180deg=-0.16) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.719 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 149:sc= -1.96 (180deg=-4.44!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -4.79! C(o=-4.8!,f=-6.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -119:sc= -1.89 (180deg=-6.07!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -4.47! C(o=-4.5!,f=-4.3!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.376 7.807 0.845 1.00 0.00 N ATOM 60 CA GLY A 7 -0.326 7.242 1.672 1.00 0.00 C ATOM 61 C GLY A 7 -0.870 6.555 2.909 1.00 0.00 C ATOM 62 O GLY A 7 -1.510 7.189 3.748 1.00 0.00 O ATOM 0 HA2 GLY A 7 0.249 6.526 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.362 8.033 1.972 1.00 0.00 H new ATOM 66 N ILE A 8 -0.616 5.256 3.023 1.00 0.00 N ATOM 67 CA ILE A 8 -1.085 4.483 4.166 1.00 0.00 C ATOM 68 C ILE A 8 0.081 3.846 4.915 1.00 0.00 C ATOM 69 O ILE A 8 1.047 3.387 4.305 1.00 0.00 O ATOM 70 CB ILE A 8 -2.069 3.380 3.735 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.459 2.532 2.617 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.387 3.991 3.285 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.017 1.127 2.551 1.00 0.00 C ATOM 0 H ILE A 8 -0.088 4.716 2.337 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.601 5.179 4.827 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.265 2.734 4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.630 3.028 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.380 2.479 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.072 3.198 2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.826 4.556 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.210 4.658 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.539 0.584 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.822 0.614 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.092 1.170 2.377 1.00 0.00 H new ATOM 85 N PHE A 9 -0.018 3.818 6.240 1.00 0.00 N ATOM 86 CA PHE A 9 1.028 3.236 7.072 1.00 0.00 C ATOM 87 C PHE A 9 0.676 1.805 7.466 1.00 0.00 C ATOM 88 O PHE A 9 -0.457 1.518 7.854 1.00 0.00 O ATOM 89 CB PHE A 9 1.243 4.085 8.327 1.00 0.00 C ATOM 90 CG PHE A 9 2.029 3.384 9.398 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.412 3.339 9.343 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.384 2.769 10.459 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.139 2.695 10.327 1.00 0.00 C ATOM 94 CE2 PHE A 9 2.105 2.124 11.446 1.00 0.00 C ATOM 95 CZ PHE A 9 3.484 2.086 11.379 1.00 0.00 C ATOM 0 H PHE A 9 -0.812 4.192 6.760 1.00 0.00 H new ATOM 0 HA PHE A 9 1.951 3.218 6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.760 5.004 8.050 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.273 4.375 8.730 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.929 3.813 8.522 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.306 2.794 10.515 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.217 2.668 10.273 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.591 1.650 12.269 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.049 1.581 12.148 1.00 0.00 H new ATOM 105 N ILE A 10 1.654 0.911 7.363 1.00 0.00 N ATOM 106 CA ILE A 10 1.447 -0.490 7.710 1.00 0.00 C ATOM 107 C ILE A 10 2.528 -0.985 8.665 1.00 0.00 C ATOM 108 O ILE A 10 3.711 -0.701 8.481 1.00 0.00 O ATOM 109 CB ILE A 10 1.437 -1.384 6.456 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.401 -0.877 5.450 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.151 -2.828 6.837 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.748 -1.195 4.013 1.00 0.00 C ATOM 0 H ILE A 10 2.597 1.132 7.042 1.00 0.00 H new ATOM 0 HA ILE A 10 0.476 -0.554 8.200 1.00 0.00 H new ATOM 0 HB ILE A 10 2.421 -1.341 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.568 -1.316 5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.298 0.203 5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.147 -3.447 5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.922 -3.184 7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.178 -2.890 7.324 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.030 -0.806 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.702 -0.733 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.822 -2.275 3.887 1.00 0.00 H new ATOM 124 N GLY A 11 2.113 -1.730 9.685 1.00 0.00 N ATOM 125 CA GLY A 11 3.058 -2.255 10.653 1.00 0.00 C ATOM 126 C GLY A 11 2.865 -3.737 10.906 1.00 0.00 C ATOM 127 O GLY A 11 1.820 -4.299 10.581 1.00 0.00 O ATOM 0 H GLY A 11 1.139 -1.979 9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.073 -2.079 10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.951 -1.712 11.592 1.00 0.00 H new ATOM 131 N ASN A 12 3.877 -4.373 11.487 1.00 0.00 N ATOM 132 CA ASN A 12 3.815 -5.800 11.782 1.00 0.00 C ATOM 133 C ASN A 12 3.904 -6.624 10.501 1.00 0.00 C ATOM 134 O ASN A 12 3.053 -7.475 10.237 1.00 0.00 O ATOM 135 CB ASN A 12 2.521 -6.132 12.527 1.00 0.00 C ATOM 136 CG ASN A 12 2.665 -7.347 13.424 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.736 -7.224 14.647 1.00 0.00 O ATOM 138 ND2 ASN A 12 2.710 -8.528 12.818 1.00 0.00 N ATOM 0 H ASN A 12 4.750 -3.923 11.763 1.00 0.00 H new ATOM 0 HA ASN A 12 4.665 -6.053 12.415 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.221 -5.274 13.128 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.724 -6.310 11.805 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.807 -9.381 13.369 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.648 -8.582 11.801 1.00 0.00 H new ATOM 145 N LEU A 13 4.939 -6.367 9.709 1.00 0.00 N ATOM 146 CA LEU A 13 5.141 -7.086 8.456 1.00 0.00 C ATOM 147 C LEU A 13 6.228 -8.145 8.604 1.00 0.00 C ATOM 148 O LEU A 13 7.350 -7.845 9.010 1.00 0.00 O ATOM 149 CB LEU A 13 5.514 -6.108 7.339 1.00 0.00 C ATOM 150 CG LEU A 13 4.358 -5.320 6.723 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.879 -4.101 5.980 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.545 -6.207 5.791 1.00 0.00 C ATOM 0 H LEU A 13 5.651 -5.666 9.912 1.00 0.00 H new ATOM 0 HA LEU A 13 4.207 -7.585 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.242 -5.399 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.010 -6.666 6.545 1.00 0.00 H new ATOM 0 HG LEU A 13 3.707 -4.979 7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.042 -3.553 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.417 -3.455 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.552 -4.420 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.726 -5.630 5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.186 -6.578 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.140 -7.049 6.352 1.00 0.00 H new ATOM 164 N ASP A 14 5.887 -9.385 8.270 1.00 0.00 N ATOM 165 CA ASP A 14 6.835 -10.490 8.362 1.00 0.00 C ATOM 166 C ASP A 14 8.151 -10.136 7.676 1.00 0.00 C ATOM 167 O ASP A 14 8.177 -9.524 6.608 1.00 0.00 O ATOM 168 CB ASP A 14 6.242 -11.753 7.736 1.00 0.00 C ATOM 169 CG ASP A 14 7.009 -13.003 8.118 1.00 0.00 C ATOM 170 OD1 ASP A 14 8.141 -13.179 7.622 1.00 0.00 O ATOM 171 OD2 ASP A 14 6.477 -13.806 8.913 1.00 0.00 O ATOM 0 H ASP A 14 4.961 -9.650 7.933 1.00 0.00 H new ATOM 0 HA ASP A 14 7.035 -10.677 9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.203 -11.857 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.238 -11.650 6.651 1.00 0.00 H new ATOM 176 N PRO A 15 9.270 -10.528 8.302 1.00 0.00 N ATOM 177 CA PRO A 15 10.610 -10.263 7.770 1.00 0.00 C ATOM 178 C PRO A 15 10.908 -11.079 6.517 1.00 0.00 C ATOM 179 O PRO A 15 11.995 -10.985 5.948 1.00 0.00 O ATOM 180 CB PRO A 15 11.536 -10.682 8.914 1.00 0.00 C ATOM 181 CG PRO A 15 10.752 -11.686 9.687 1.00 0.00 C ATOM 182 CD PRO A 15 9.314 -11.261 9.578 1.00 0.00 C ATOM 0 HA PRO A 15 10.729 -9.223 7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.464 -11.110 8.536 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.809 -9.829 9.535 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.895 -12.688 9.282 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.073 -11.714 10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.641 -12.118 9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.017 -10.629 10.415 1.00 0.00 H new ATOM 190 N GLU A 16 9.935 -11.879 6.092 1.00 0.00 N ATOM 191 CA GLU A 16 10.095 -12.712 4.906 1.00 0.00 C ATOM 192 C GLU A 16 9.444 -12.059 3.691 1.00 0.00 C ATOM 193 O GLU A 16 9.665 -12.479 2.554 1.00 0.00 O ATOM 194 CB GLU A 16 9.488 -14.097 5.142 1.00 0.00 C ATOM 195 CG GLU A 16 10.166 -14.877 6.255 1.00 0.00 C ATOM 196 CD GLU A 16 11.342 -15.697 5.761 1.00 0.00 C ATOM 197 OE1 GLU A 16 11.282 -16.191 4.616 1.00 0.00 O ATOM 198 OE2 GLU A 16 12.323 -15.843 6.520 1.00 0.00 O ATOM 0 H GLU A 16 9.028 -11.968 6.551 1.00 0.00 H new ATOM 0 HA GLU A 16 11.162 -12.820 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.430 -13.985 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.547 -14.673 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.509 -14.183 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.438 -15.539 6.725 1.00 0.00 H new ATOM 205 N ILE A 17 8.639 -11.031 3.939 1.00 0.00 N ATOM 206 CA ILE A 17 7.956 -10.320 2.866 1.00 0.00 C ATOM 207 C ILE A 17 8.893 -9.334 2.175 1.00 0.00 C ATOM 208 O ILE A 17 9.930 -8.961 2.723 1.00 0.00 O ATOM 209 CB ILE A 17 6.724 -9.559 3.390 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.778 -10.516 4.117 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.005 -8.863 2.244 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.805 -9.817 5.041 1.00 0.00 C ATOM 0 H ILE A 17 8.444 -10.672 4.874 1.00 0.00 H new ATOM 0 HA ILE A 17 7.630 -11.072 2.147 1.00 0.00 H new ATOM 0 HB ILE A 17 7.057 -8.800 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.218 -11.090 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.368 -11.228 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.136 -8.329 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.682 -8.156 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.680 -9.605 1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.165 -10.557 5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.358 -9.265 5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.190 -9.125 4.466 1.00 0.00 H new ATOM 224 N ASP A 18 8.519 -8.916 0.971 1.00 0.00 N ATOM 225 CA ASP A 18 9.325 -7.970 0.207 1.00 0.00 C ATOM 226 C ASP A 18 8.437 -6.981 -0.541 1.00 0.00 C ATOM 227 O ASP A 18 7.263 -7.253 -0.793 1.00 0.00 O ATOM 228 CB ASP A 18 10.224 -8.716 -0.781 1.00 0.00 C ATOM 229 CG ASP A 18 11.503 -7.961 -1.083 1.00 0.00 C ATOM 230 OD1 ASP A 18 11.559 -6.748 -0.791 1.00 0.00 O ATOM 231 OD2 ASP A 18 12.449 -8.583 -1.610 1.00 0.00 O ATOM 0 H ASP A 18 7.664 -9.217 0.503 1.00 0.00 H new ATOM 0 HA ASP A 18 9.949 -7.414 0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.472 -9.696 -0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.678 -8.885 -1.709 1.00 0.00 H new ATOM 236 N GLU A 19 9.005 -5.832 -0.893 1.00 0.00 N ATOM 237 CA GLU A 19 8.264 -4.801 -1.610 1.00 0.00 C ATOM 238 C GLU A 19 7.405 -5.416 -2.711 1.00 0.00 C ATOM 239 O GLU A 19 6.223 -5.098 -2.844 1.00 0.00 O ATOM 240 CB GLU A 19 9.226 -3.775 -2.211 1.00 0.00 C ATOM 241 CG GLU A 19 10.108 -3.090 -1.180 1.00 0.00 C ATOM 242 CD GLU A 19 11.298 -2.388 -1.805 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.082 -1.476 -2.631 1.00 0.00 O ATOM 244 OE2 GLU A 19 12.444 -2.749 -1.468 1.00 0.00 O ATOM 0 H GLU A 19 9.976 -5.592 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 19 7.608 -4.299 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.859 -4.271 -2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.650 -3.019 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.514 -2.365 -0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.463 -3.829 -0.462 1.00 0.00 H new ATOM 251 N LYS A 20 8.009 -6.299 -3.500 1.00 0.00 N ATOM 252 CA LYS A 20 7.301 -6.960 -4.591 1.00 0.00 C ATOM 253 C LYS A 20 5.958 -7.505 -4.117 1.00 0.00 C ATOM 254 O LYS A 20 4.913 -7.190 -4.687 1.00 0.00 O ATOM 255 CB LYS A 20 8.152 -8.096 -5.162 1.00 0.00 C ATOM 256 CG LYS A 20 9.134 -7.644 -6.229 1.00 0.00 C ATOM 257 CD LYS A 20 8.493 -7.631 -7.607 1.00 0.00 C ATOM 258 CE LYS A 20 9.541 -7.643 -8.709 1.00 0.00 C ATOM 259 NZ LYS A 20 10.208 -8.970 -8.826 1.00 0.00 N ATOM 0 H LYS A 20 8.987 -6.573 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 20 7.118 -6.223 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.704 -8.569 -4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.493 -8.855 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.501 -6.646 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.998 -8.309 -6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.841 -8.498 -7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.866 -6.745 -7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.072 -7.387 -9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.289 -6.877 -8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.720 -9.023 -9.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.878 -9.092 -8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.492 -9.723 -8.790 1.00 0.00 H new ATOM 273 N LEU A 21 5.993 -8.322 -3.070 1.00 0.00 N ATOM 274 CA LEU A 21 4.777 -8.910 -2.518 1.00 0.00 C ATOM 275 C LEU A 21 3.843 -7.829 -1.985 1.00 0.00 C ATOM 276 O LEU A 21 2.699 -7.709 -2.426 1.00 0.00 O ATOM 277 CB LEU A 21 5.126 -9.895 -1.400 1.00 0.00 C ATOM 278 CG LEU A 21 4.049 -10.923 -1.052 1.00 0.00 C ATOM 279 CD1 LEU A 21 3.902 -11.942 -2.171 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.378 -11.615 0.263 1.00 0.00 C ATOM 0 H LEU A 21 6.849 -8.592 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 21 4.265 -9.444 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.032 -10.430 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.360 -9.325 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 21 3.099 -10.401 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.131 -12.665 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.620 -11.433 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.850 -12.460 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.601 -12.343 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.338 -12.124 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.431 -10.874 1.061 1.00 0.00 H new ATOM 292 N LEU A 22 4.337 -7.042 -1.035 1.00 0.00 N ATOM 293 CA LEU A 22 3.547 -5.968 -0.443 1.00 0.00 C ATOM 294 C LEU A 22 2.742 -5.233 -1.510 1.00 0.00 C ATOM 295 O LEU A 22 1.714 -4.623 -1.215 1.00 0.00 O ATOM 296 CB LEU A 22 4.459 -4.984 0.292 1.00 0.00 C ATOM 297 CG LEU A 22 4.820 -5.350 1.732 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.887 -4.410 2.270 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.583 -5.319 2.617 1.00 0.00 C ATOM 0 H LEU A 22 5.281 -7.128 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 22 2.851 -6.411 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.382 -4.881 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.976 -4.007 0.297 1.00 0.00 H new ATOM 0 HG LEU A 22 5.221 -6.364 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.131 -4.686 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.782 -4.483 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.514 -3.386 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.859 -5.582 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.152 -4.318 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.850 -6.035 2.244 1.00 0.00 H new ATOM 311 N TYR A 23 3.214 -5.298 -2.750 1.00 0.00 N ATOM 312 CA TYR A 23 2.537 -4.639 -3.860 1.00 0.00 C ATOM 313 C TYR A 23 1.367 -5.479 -4.362 1.00 0.00 C ATOM 314 O TYR A 23 0.225 -5.019 -4.391 1.00 0.00 O ATOM 315 CB TYR A 23 3.521 -4.381 -5.003 1.00 0.00 C ATOM 316 CG TYR A 23 2.915 -3.627 -6.165 1.00 0.00 C ATOM 317 CD1 TYR A 23 1.937 -4.208 -6.962 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.321 -2.332 -6.466 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.380 -3.523 -8.025 1.00 0.00 C ATOM 320 CE2 TYR A 23 2.769 -1.639 -7.526 1.00 0.00 C ATOM 321 CZ TYR A 23 1.800 -2.239 -8.303 1.00 0.00 C ATOM 322 OH TYR A 23 1.249 -1.552 -9.360 1.00 0.00 O ATOM 0 H TYR A 23 4.062 -5.800 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 23 2.148 -3.686 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.371 -3.817 -4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.907 -5.335 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.606 -5.213 -6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.081 -1.860 -5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.620 -3.990 -8.634 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.094 -0.633 -7.745 1.00 0.00 H new ATOM 0 HH TYR A 23 1.654 -0.661 -9.418 1.00 0.00 H new ATOM 332 N ASP A 24 1.659 -6.714 -4.754 1.00 0.00 N ATOM 333 CA ASP A 24 0.632 -7.621 -5.253 1.00 0.00 C ATOM 334 C ASP A 24 -0.415 -7.900 -4.179 1.00 0.00 C ATOM 335 O ASP A 24 -1.617 -7.859 -4.443 1.00 0.00 O ATOM 336 CB ASP A 24 1.264 -8.934 -5.719 1.00 0.00 C ATOM 337 CG ASP A 24 2.432 -9.355 -4.849 1.00 0.00 C ATOM 338 OD1 ASP A 24 2.194 -9.781 -3.700 1.00 0.00 O ATOM 339 OD2 ASP A 24 3.585 -9.260 -5.319 1.00 0.00 O ATOM 0 H ASP A 24 2.599 -7.110 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 24 0.140 -7.142 -6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.509 -9.720 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.603 -8.825 -6.749 1.00 0.00 H new ATOM 344 N THR A 25 0.049 -8.184 -2.966 1.00 0.00 N ATOM 345 CA THR A 25 -0.846 -8.471 -1.853 1.00 0.00 C ATOM 346 C THR A 25 -1.937 -7.412 -1.737 1.00 0.00 C ATOM 347 O THR A 25 -3.098 -7.728 -1.474 1.00 0.00 O ATOM 348 CB THR A 25 -0.079 -8.548 -0.519 1.00 0.00 C ATOM 349 OG1 THR A 25 1.059 -9.407 -0.658 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.978 -9.065 0.594 1.00 0.00 C ATOM 0 H THR A 25 1.041 -8.221 -2.730 1.00 0.00 H new ATOM 0 HA THR A 25 -1.303 -9.439 -2.058 1.00 0.00 H new ATOM 0 HB THR A 25 0.254 -7.543 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.543 -9.450 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.414 -9.110 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.828 -8.394 0.717 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.337 -10.062 0.338 1.00 0.00 H new ATOM 358 N PHE A 26 -1.558 -6.154 -1.937 1.00 0.00 N ATOM 359 CA PHE A 26 -2.505 -5.048 -1.855 1.00 0.00 C ATOM 360 C PHE A 26 -3.028 -4.676 -3.239 1.00 0.00 C ATOM 361 O PHE A 26 -4.058 -4.016 -3.368 1.00 0.00 O ATOM 362 CB PHE A 26 -1.845 -3.831 -1.203 1.00 0.00 C ATOM 363 CG PHE A 26 -1.556 -4.018 0.259 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.630 -4.957 0.682 1.00 0.00 C ATOM 365 CD2 PHE A 26 -2.212 -3.253 1.211 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.362 -5.130 2.027 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.948 -3.422 2.557 1.00 0.00 C ATOM 368 CZ PHE A 26 -1.023 -4.362 2.966 1.00 0.00 C ATOM 0 H PHE A 26 -0.602 -5.875 -2.157 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.347 -5.368 -1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.913 -3.610 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.494 -2.964 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.111 -5.561 -0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.937 -2.517 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.363 -5.865 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.465 -2.819 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.817 -4.497 4.018 1.00 0.00 H new ATOM 378 N SER A 27 -2.309 -5.106 -4.272 1.00 0.00 N ATOM 379 CA SER A 27 -2.698 -4.815 -5.647 1.00 0.00 C ATOM 380 C SER A 27 -4.100 -5.339 -5.938 1.00 0.00 C ATOM 381 O SER A 27 -4.752 -4.906 -6.887 1.00 0.00 O ATOM 382 CB SER A 27 -1.696 -5.434 -6.624 1.00 0.00 C ATOM 383 OG SER A 27 -2.021 -5.106 -7.964 1.00 0.00 O ATOM 0 H SER A 27 -1.455 -5.656 -4.182 1.00 0.00 H new ATOM 0 HA SER A 27 -2.700 -3.733 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.692 -5.079 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.687 -6.517 -6.503 1.00 0.00 H new ATOM 0 HG SER A 27 -1.365 -5.512 -8.568 1.00 0.00 H new ATOM 389 N ALA A 28 -4.558 -6.275 -5.113 1.00 0.00 N ATOM 390 CA ALA A 28 -5.884 -6.858 -5.279 1.00 0.00 C ATOM 391 C ALA A 28 -6.974 -5.849 -4.938 1.00 0.00 C ATOM 392 O ALA A 28 -7.930 -5.672 -5.694 1.00 0.00 O ATOM 393 CB ALA A 28 -6.025 -8.103 -4.416 1.00 0.00 C ATOM 0 H ALA A 28 -4.030 -6.646 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.001 -7.140 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.020 -8.528 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.275 -8.837 -4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.882 -7.838 -3.369 1.00 0.00 H new ATOM 399 N PHE A 29 -6.826 -5.188 -3.794 1.00 0.00 N ATOM 400 CA PHE A 29 -7.800 -4.197 -3.352 1.00 0.00 C ATOM 401 C PHE A 29 -7.843 -3.011 -4.312 1.00 0.00 C ATOM 402 O PHE A 29 -8.897 -2.669 -4.846 1.00 0.00 O ATOM 403 CB PHE A 29 -7.461 -3.712 -1.941 1.00 0.00 C ATOM 404 CG PHE A 29 -7.324 -4.826 -0.942 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.436 -5.540 -0.524 1.00 0.00 C ATOM 406 CD2 PHE A 29 -6.084 -5.159 -0.421 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.312 -6.564 0.396 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.954 -6.182 0.499 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.070 -6.887 0.907 1.00 0.00 C ATOM 0 H PHE A 29 -6.041 -5.321 -3.157 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.782 -4.669 -3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.529 -3.147 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.238 -3.026 -1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.410 -5.294 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.208 -4.612 -0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.186 -7.112 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.982 -6.430 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.971 -7.689 1.624 1.00 0.00 H new ATOM 419 N GLY A 30 -6.689 -2.387 -4.525 1.00 0.00 N ATOM 420 CA GLY A 30 -6.616 -1.246 -5.419 1.00 0.00 C ATOM 421 C GLY A 30 -5.287 -1.160 -6.143 1.00 0.00 C ATOM 422 O GLY A 30 -4.441 -2.045 -6.010 1.00 0.00 O ATOM 0 H GLY A 30 -5.803 -2.651 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.421 -1.310 -6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.775 -0.331 -4.849 1.00 0.00 H new ATOM 426 N VAL A 31 -5.102 -0.092 -6.912 1.00 0.00 N ATOM 427 CA VAL A 31 -3.866 0.106 -7.661 1.00 0.00 C ATOM 428 C VAL A 31 -2.868 0.938 -6.863 1.00 0.00 C ATOM 429 O VAL A 31 -3.237 1.924 -6.225 1.00 0.00 O ATOM 430 CB VAL A 31 -4.132 0.798 -9.010 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.831 1.001 -9.772 1.00 0.00 C ATOM 432 CG2 VAL A 31 -5.123 -0.009 -9.836 1.00 0.00 C ATOM 0 H VAL A 31 -5.792 0.650 -7.033 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.445 -0.883 -7.846 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.568 1.778 -8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.039 1.491 -10.723 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.157 1.623 -9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.363 0.034 -9.957 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.300 0.495 -10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.717 -1.003 -10.022 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.063 -0.097 -9.292 1.00 0.00 H new ATOM 442 N ILE A 32 -1.603 0.534 -6.905 1.00 0.00 N ATOM 443 CA ILE A 32 -0.551 1.244 -6.187 1.00 0.00 C ATOM 444 C ILE A 32 0.078 2.324 -7.061 1.00 0.00 C ATOM 445 O ILE A 32 0.294 2.123 -8.257 1.00 0.00 O ATOM 446 CB ILE A 32 0.551 0.282 -5.707 1.00 0.00 C ATOM 447 CG1 ILE A 32 -0.025 -0.738 -4.722 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.691 1.059 -5.067 1.00 0.00 C ATOM 449 CD1 ILE A 32 0.841 -1.966 -4.548 1.00 0.00 C ATOM 0 H ILE A 32 -1.282 -0.281 -7.428 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.019 1.709 -5.319 1.00 0.00 H new ATOM 0 HB ILE A 32 0.944 -0.256 -6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.160 -0.258 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.013 -1.046 -5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.462 0.365 -4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.115 1.749 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.314 1.621 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.371 -2.645 -3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.956 -2.469 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.821 -1.670 -4.174 1.00 0.00 H new ATOM 461 N LEU A 33 0.372 3.470 -6.456 1.00 0.00 N ATOM 462 CA LEU A 33 0.979 4.583 -7.178 1.00 0.00 C ATOM 463 C LEU A 33 2.394 4.233 -7.627 1.00 0.00 C ATOM 464 O LEU A 33 2.773 4.490 -8.770 1.00 0.00 O ATOM 465 CB LEU A 33 1.005 5.833 -6.298 1.00 0.00 C ATOM 466 CG LEU A 33 -0.289 6.646 -6.246 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.128 7.850 -5.332 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.698 7.086 -7.644 1.00 0.00 C ATOM 0 H LEU A 33 0.200 3.653 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 33 0.376 4.782 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.262 5.532 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.805 6.484 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.077 6.012 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.059 8.416 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.117 7.512 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.674 8.486 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.621 7.663 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.090 7.702 -8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.857 6.208 -8.270 1.00 0.00 H new ATOM 480 N GLN A 34 3.168 3.644 -6.722 1.00 0.00 N ATOM 481 CA GLN A 34 4.541 3.258 -7.027 1.00 0.00 C ATOM 482 C GLN A 34 5.056 2.237 -6.018 1.00 0.00 C ATOM 483 O GLN A 34 4.480 2.064 -4.943 1.00 0.00 O ATOM 484 CB GLN A 34 5.450 4.489 -7.033 1.00 0.00 C ATOM 485 CG GLN A 34 5.554 5.175 -5.681 1.00 0.00 C ATOM 486 CD GLN A 34 6.430 6.412 -5.720 1.00 0.00 C ATOM 487 OE1 GLN A 34 6.137 7.372 -6.433 1.00 0.00 O ATOM 488 NE2 GLN A 34 7.513 6.395 -4.951 1.00 0.00 N ATOM 0 H GLN A 34 2.869 3.424 -5.772 1.00 0.00 H new ATOM 0 HA GLN A 34 4.552 2.802 -8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.447 4.192 -7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.075 5.204 -7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.556 5.452 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.956 4.472 -4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.717 5.578 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.140 7.199 -4.936 1.00 0.00 H new ATOM 497 N THR A 35 6.144 1.560 -6.372 1.00 0.00 N ATOM 498 CA THR A 35 6.736 0.554 -5.499 1.00 0.00 C ATOM 499 C THR A 35 6.694 0.998 -4.041 1.00 0.00 C ATOM 500 O THR A 35 6.992 2.145 -3.708 1.00 0.00 O ATOM 501 CB THR A 35 8.195 0.257 -5.892 1.00 0.00 C ATOM 502 OG1 THR A 35 8.250 -0.240 -7.233 1.00 0.00 O ATOM 503 CG2 THR A 35 8.815 -0.758 -4.944 1.00 0.00 C ATOM 0 H THR A 35 6.633 1.690 -7.258 1.00 0.00 H new ATOM 0 HA THR A 35 6.144 -0.354 -5.617 1.00 0.00 H new ATOM 0 HB THR A 35 8.762 1.186 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.181 -0.425 -7.475 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.846 -0.952 -5.242 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.799 -0.364 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.246 -1.687 -4.982 1.00 0.00 H new ATOM 511 N PRO A 36 6.317 0.069 -3.149 1.00 0.00 N ATOM 512 CA PRO A 36 6.228 0.342 -1.712 1.00 0.00 C ATOM 513 C PRO A 36 7.599 0.539 -1.074 1.00 0.00 C ATOM 514 O PRO A 36 8.608 0.050 -1.583 1.00 0.00 O ATOM 515 CB PRO A 36 5.554 -0.913 -1.153 1.00 0.00 C ATOM 516 CG PRO A 36 5.884 -1.988 -2.131 1.00 0.00 C ATOM 517 CD PRO A 36 5.947 -1.318 -3.476 1.00 0.00 C ATOM 0 HA PRO A 36 5.683 1.263 -1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.929 -1.154 -0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.476 -0.777 -1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.835 -2.461 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.126 -2.772 -2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.685 -1.789 -4.125 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.990 -1.367 -3.995 1.00 0.00 H new ATOM 525 N LYS A 37 7.629 1.257 0.044 1.00 0.00 N ATOM 526 CA LYS A 37 8.876 1.517 0.753 1.00 0.00 C ATOM 527 C LYS A 37 8.915 0.764 2.079 1.00 0.00 C ATOM 528 O LYS A 37 7.922 0.716 2.806 1.00 0.00 O ATOM 529 CB LYS A 37 9.042 3.018 1.002 1.00 0.00 C ATOM 530 CG LYS A 37 9.566 3.780 -0.203 1.00 0.00 C ATOM 531 CD LYS A 37 10.354 5.010 0.215 1.00 0.00 C ATOM 532 CE LYS A 37 11.416 5.368 -0.813 1.00 0.00 C ATOM 533 NZ LYS A 37 12.396 6.353 -0.279 1.00 0.00 N ATOM 0 H LYS A 37 6.803 1.669 0.478 1.00 0.00 H new ATOM 0 HA LYS A 37 9.699 1.165 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.080 3.438 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.724 3.166 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.201 3.126 -0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.731 4.080 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.674 5.852 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.827 4.830 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.941 4.464 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.937 5.778 -1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.103 6.571 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.899 7.225 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.872 5.952 0.554 1.00 0.00 H new ATOM 547 N ILE A 38 10.067 0.178 2.388 1.00 0.00 N ATOM 548 CA ILE A 38 10.235 -0.570 3.628 1.00 0.00 C ATOM 549 C ILE A 38 11.446 -0.073 4.410 1.00 0.00 C ATOM 550 O ILE A 38 12.576 -0.130 3.926 1.00 0.00 O ATOM 551 CB ILE A 38 10.395 -2.078 3.359 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.200 -2.605 2.562 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.541 -2.837 4.669 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.435 -3.969 1.952 1.00 0.00 C ATOM 0 H ILE A 38 10.898 0.207 1.797 1.00 0.00 H new ATOM 0 HA ILE A 38 9.333 -0.409 4.218 1.00 0.00 H new ATOM 0 HB ILE A 38 11.298 -2.233 2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.330 -2.654 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.962 -1.897 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.653 -3.901 4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.420 -2.476 5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.654 -2.678 5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.547 -4.280 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.285 -3.922 1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.643 -4.690 2.742 1.00 0.00 H new ATOM 566 N MET A 39 11.202 0.411 5.624 1.00 0.00 N ATOM 567 CA MET A 39 12.274 0.915 6.475 1.00 0.00 C ATOM 568 C MET A 39 13.091 -0.234 7.057 1.00 0.00 C ATOM 569 O MET A 39 12.536 -1.234 7.513 1.00 0.00 O ATOM 570 CB MET A 39 11.697 1.770 7.605 1.00 0.00 C ATOM 571 CG MET A 39 11.020 3.041 7.120 1.00 0.00 C ATOM 572 SD MET A 39 9.303 2.773 6.637 1.00 0.00 S ATOM 573 CE MET A 39 9.053 4.138 5.505 1.00 0.00 C ATOM 0 H MET A 39 10.272 0.465 6.040 1.00 0.00 H new ATOM 0 HA MET A 39 12.932 1.531 5.862 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.976 1.176 8.167 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.498 2.035 8.294 1.00 0.00 H new ATOM 0 HG2 MET A 39 11.058 3.792 7.909 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.574 3.442 6.271 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.333 3.849 4.740 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.674 5.000 6.053 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.000 4.397 5.032 1.00 0.00 H new ATOM 691 N LYS A 48 12.778 -3.099 9.774 1.00 0.00 N ATOM 692 CA LYS A 48 12.315 -2.323 10.918 1.00 0.00 C ATOM 693 C LYS A 48 11.049 -2.932 11.512 1.00 0.00 C ATOM 694 O LYS A 48 10.965 -3.158 12.718 1.00 0.00 O ATOM 695 CB LYS A 48 12.051 -0.874 10.504 1.00 0.00 C ATOM 696 CG LYS A 48 13.291 0.004 10.537 1.00 0.00 C ATOM 697 CD LYS A 48 13.669 0.382 11.959 1.00 0.00 C ATOM 698 CE LYS A 48 14.516 1.644 11.994 1.00 0.00 C ATOM 699 NZ LYS A 48 14.749 2.118 13.386 1.00 0.00 N ATOM 0 HA LYS A 48 13.096 -2.341 11.678 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.635 -0.863 9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.297 -0.448 11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.122 -0.521 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.113 0.908 9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.765 0.533 12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.218 -0.439 12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.474 1.452 11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.022 2.429 11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.330 2.980 13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.836 2.326 13.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.243 1.379 13.926 1.00 0.00 H new ATOM 713 N GLY A 49 10.067 -3.196 10.656 1.00 0.00 N ATOM 714 CA GLY A 49 8.819 -3.777 11.115 1.00 0.00 C ATOM 715 C GLY A 49 7.606 -3.110 10.497 1.00 0.00 C ATOM 716 O GLY A 49 6.533 -3.709 10.417 1.00 0.00 O ATOM 0 H GLY A 49 10.113 -3.018 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.807 -4.840 10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.761 -3.695 12.200 1.00 0.00 H new ATOM 720 N TYR A 50 7.775 -1.867 10.062 1.00 0.00 N ATOM 721 CA TYR A 50 6.684 -1.116 9.452 1.00 0.00 C ATOM 722 C TYR A 50 7.078 -0.609 8.068 1.00 0.00 C ATOM 723 O TYR A 50 8.245 -0.313 7.812 1.00 0.00 O ATOM 724 CB TYR A 50 6.287 0.062 10.344 1.00 0.00 C ATOM 725 CG TYR A 50 7.465 0.861 10.852 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.120 1.770 10.029 1.00 0.00 C ATOM 727 CD2 TYR A 50 7.925 0.708 12.154 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.198 2.502 10.489 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.001 1.437 12.623 1.00 0.00 C ATOM 730 CZ TYR A 50 9.634 2.333 11.786 1.00 0.00 C ATOM 731 OH TYR A 50 10.707 3.060 12.248 1.00 0.00 O ATOM 0 H TYR A 50 8.657 -1.358 10.120 1.00 0.00 H new ATOM 0 HA TYR A 50 5.831 -1.786 9.344 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.625 0.723 9.785 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.719 -0.313 11.195 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.781 1.906 9.013 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.433 0.007 12.811 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.696 3.203 9.836 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.345 1.306 13.639 1.00 0.00 H new ATOM 0 HH TYR A 50 10.885 2.823 13.182 1.00 0.00 H new ATOM 741 N ALA A 51 6.095 -0.513 7.179 1.00 0.00 N ATOM 742 CA ALA A 51 6.337 -0.040 5.821 1.00 0.00 C ATOM 743 C ALA A 51 5.311 1.012 5.415 1.00 0.00 C ATOM 744 O ALA A 51 4.325 1.235 6.118 1.00 0.00 O ATOM 745 CB ALA A 51 6.315 -1.207 4.844 1.00 0.00 C ATOM 0 H ALA A 51 5.124 -0.756 7.374 1.00 0.00 H new ATOM 0 HA ALA A 51 7.323 0.423 5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.497 -0.840 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.091 -1.923 5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.341 -1.695 4.882 1.00 0.00 H new ATOM 751 N PHE A 52 5.549 1.656 4.278 1.00 0.00 N ATOM 752 CA PHE A 52 4.646 2.687 3.779 1.00 0.00 C ATOM 753 C PHE A 52 4.270 2.423 2.324 1.00 0.00 C ATOM 754 O PHE A 52 5.129 2.124 1.494 1.00 0.00 O ATOM 755 CB PHE A 52 5.293 4.067 3.908 1.00 0.00 C ATOM 756 CG PHE A 52 5.342 4.577 5.320 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.092 3.919 6.282 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.639 5.713 5.686 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.139 4.385 7.582 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.682 6.184 6.984 1.00 0.00 C ATOM 761 CZ PHE A 52 5.434 5.520 7.933 1.00 0.00 C ATOM 0 H PHE A 52 6.360 1.482 3.684 1.00 0.00 H new ATOM 0 HA PHE A 52 3.738 2.662 4.381 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.307 4.022 3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.741 4.777 3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.646 3.032 6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.050 6.237 4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.726 3.863 8.323 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.128 7.070 7.256 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.471 5.887 8.948 1.00 0.00 H new ATOM 771 N ILE A 53 2.980 2.535 2.023 1.00 0.00 N ATOM 772 CA ILE A 53 2.490 2.309 0.669 1.00 0.00 C ATOM 773 C ILE A 53 1.510 3.399 0.250 1.00 0.00 C ATOM 774 O ILE A 53 0.629 3.784 1.018 1.00 0.00 O ATOM 775 CB ILE A 53 1.801 0.937 0.541 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.694 -0.162 1.119 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.467 0.646 -0.914 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.134 -1.555 0.934 1.00 0.00 C ATOM 0 H ILE A 53 2.256 2.781 2.698 1.00 0.00 H new ATOM 0 HA ILE A 53 3.359 2.333 0.011 1.00 0.00 H new ATOM 0 HB ILE A 53 0.871 0.959 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.675 -0.108 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.842 0.023 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.981 -0.327 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.797 1.417 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.384 0.639 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.819 -2.283 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.166 -1.627 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.012 -1.760 -0.130 1.00 0.00 H new ATOM 790 N ASN A 54 1.668 3.891 -0.974 1.00 0.00 N ATOM 791 CA ASN A 54 0.795 4.937 -1.496 1.00 0.00 C ATOM 792 C ASN A 54 -0.150 4.378 -2.556 1.00 0.00 C ATOM 793 O ASN A 54 0.278 3.696 -3.487 1.00 0.00 O ATOM 794 CB ASN A 54 1.628 6.076 -2.089 1.00 0.00 C ATOM 795 CG ASN A 54 0.867 7.387 -2.128 1.00 0.00 C ATOM 796 OD1 ASN A 54 -0.196 7.520 -1.521 1.00 0.00 O ATOM 797 ND2 ASN A 54 1.410 8.364 -2.845 1.00 0.00 N ATOM 0 H ASN A 54 2.392 3.583 -1.623 1.00 0.00 H new ATOM 0 HA ASN A 54 0.198 5.324 -0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.536 6.203 -1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.938 5.808 -3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.944 9.269 -2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.293 8.209 -3.332 1.00 0.00 H new ATOM 804 N PHE A 55 -1.437 4.672 -2.407 1.00 0.00 N ATOM 805 CA PHE A 55 -2.443 4.199 -3.350 1.00 0.00 C ATOM 806 C PHE A 55 -2.762 5.271 -4.388 1.00 0.00 C ATOM 807 O PHE A 55 -2.482 6.452 -4.183 1.00 0.00 O ATOM 808 CB PHE A 55 -3.719 3.796 -2.608 1.00 0.00 C ATOM 809 CG PHE A 55 -3.740 2.354 -2.190 1.00 0.00 C ATOM 810 CD1 PHE A 55 -4.058 1.359 -3.101 1.00 0.00 C ATOM 811 CD2 PHE A 55 -3.440 1.992 -0.886 1.00 0.00 C ATOM 812 CE1 PHE A 55 -4.078 0.031 -2.720 1.00 0.00 C ATOM 813 CE2 PHE A 55 -3.458 0.665 -0.500 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.778 -0.316 -1.417 1.00 0.00 C ATOM 0 H PHE A 55 -1.808 5.236 -1.642 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.040 3.327 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.829 4.424 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.579 3.993 -3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.293 1.625 -4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.190 2.755 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.328 -0.734 -3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.222 0.396 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.794 -1.353 -1.116 1.00 0.00 H new ATOM 824 N ALA A 56 -3.349 4.850 -5.504 1.00 0.00 N ATOM 825 CA ALA A 56 -3.708 5.773 -6.574 1.00 0.00 C ATOM 826 C ALA A 56 -4.838 6.701 -6.142 1.00 0.00 C ATOM 827 O ALA A 56 -4.792 7.906 -6.388 1.00 0.00 O ATOM 828 CB ALA A 56 -4.103 5.002 -7.825 1.00 0.00 C ATOM 0 H ALA A 56 -3.586 3.876 -5.690 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.836 6.387 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.369 5.703 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.265 4.386 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.958 4.363 -7.604 1.00 0.00 H new ATOM 834 N SER A 57 -5.852 6.131 -5.498 1.00 0.00 N ATOM 835 CA SER A 57 -6.997 6.908 -5.037 1.00 0.00 C ATOM 836 C SER A 57 -7.298 6.612 -3.571 1.00 0.00 C ATOM 837 O SER A 57 -6.874 5.589 -3.032 1.00 0.00 O ATOM 838 CB SER A 57 -8.226 6.601 -5.894 1.00 0.00 C ATOM 839 OG SER A 57 -8.877 5.423 -5.450 1.00 0.00 O ATOM 0 H SER A 57 -5.904 5.135 -5.284 1.00 0.00 H new ATOM 0 HA SER A 57 -6.751 7.965 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.920 7.441 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.927 6.484 -6.936 1.00 0.00 H new ATOM 0 HG SER A 57 -9.660 5.250 -6.013 1.00 0.00 H new ATOM 845 N PHE A 58 -8.034 7.514 -2.931 1.00 0.00 N ATOM 846 CA PHE A 58 -8.393 7.352 -1.527 1.00 0.00 C ATOM 847 C PHE A 58 -9.309 6.147 -1.335 1.00 0.00 C ATOM 848 O PHE A 58 -9.138 5.366 -0.399 1.00 0.00 O ATOM 849 CB PHE A 58 -9.078 8.616 -1.004 1.00 0.00 C ATOM 850 CG PHE A 58 -8.124 9.742 -0.723 1.00 0.00 C ATOM 851 CD1 PHE A 58 -7.303 10.238 -1.723 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.049 10.305 0.541 1.00 0.00 C ATOM 853 CE1 PHE A 58 -6.425 11.274 -1.467 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.172 11.341 0.803 1.00 0.00 C ATOM 855 CZ PHE A 58 -6.360 11.827 -0.203 1.00 0.00 C ATOM 0 H PHE A 58 -8.394 8.365 -3.362 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.477 7.183 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.815 8.949 -1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.621 8.374 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.350 9.810 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.683 9.930 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.790 11.651 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.122 11.770 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.676 12.638 -0.002 1.00 0.00 H new ATOM 865 N ASP A 59 -10.282 6.004 -2.228 1.00 0.00 N ATOM 866 CA ASP A 59 -11.226 4.894 -2.159 1.00 0.00 C ATOM 867 C ASP A 59 -10.493 3.566 -1.997 1.00 0.00 C ATOM 868 O ASP A 59 -10.925 2.695 -1.243 1.00 0.00 O ATOM 869 CB ASP A 59 -12.098 4.859 -3.414 1.00 0.00 C ATOM 870 CG ASP A 59 -12.814 6.173 -3.658 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.819 6.439 -2.966 1.00 0.00 O ATOM 872 OD2 ASP A 59 -12.371 6.936 -4.543 1.00 0.00 O ATOM 0 H ASP A 59 -10.438 6.642 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.863 5.046 -1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.477 4.621 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.833 4.060 -3.320 1.00 0.00 H new ATOM 877 N ALA A 60 -9.381 3.419 -2.710 1.00 0.00 N ATOM 878 CA ALA A 60 -8.588 2.198 -2.645 1.00 0.00 C ATOM 879 C ALA A 60 -8.019 1.987 -1.246 1.00 0.00 C ATOM 880 O ALA A 60 -7.921 0.857 -0.769 1.00 0.00 O ATOM 881 CB ALA A 60 -7.466 2.242 -3.672 1.00 0.00 C ATOM 0 H ALA A 60 -9.009 4.131 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.242 1.357 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.882 1.324 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.891 2.337 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.820 3.097 -3.469 1.00 0.00 H new ATOM 887 N SER A 61 -7.644 3.083 -0.593 1.00 0.00 N ATOM 888 CA SER A 61 -7.080 3.017 0.750 1.00 0.00 C ATOM 889 C SER A 61 -8.147 2.628 1.769 1.00 0.00 C ATOM 890 O SER A 61 -7.841 2.070 2.822 1.00 0.00 O ATOM 891 CB SER A 61 -6.461 4.363 1.132 1.00 0.00 C ATOM 892 OG SER A 61 -6.184 4.421 2.521 1.00 0.00 O ATOM 0 H SER A 61 -7.721 4.027 -0.972 1.00 0.00 H new ATOM 0 HA SER A 61 -6.303 2.253 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.541 4.517 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.141 5.170 0.860 1.00 0.00 H new ATOM 0 HG SER A 61 -6.487 5.281 2.879 1.00 0.00 H new ATOM 898 N ASP A 62 -9.401 2.926 1.446 1.00 0.00 N ATOM 899 CA ASP A 62 -10.515 2.607 2.331 1.00 0.00 C ATOM 900 C ASP A 62 -10.737 1.099 2.403 1.00 0.00 C ATOM 901 O ASP A 62 -10.974 0.547 3.477 1.00 0.00 O ATOM 902 CB ASP A 62 -11.790 3.301 1.852 1.00 0.00 C ATOM 903 CG ASP A 62 -12.836 3.410 2.944 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.573 4.102 3.949 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.917 2.803 2.794 1.00 0.00 O ATOM 0 H ASP A 62 -9.671 3.388 0.578 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.268 2.968 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.543 4.299 1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.206 2.749 1.009 1.00 0.00 H new ATOM 910 N ALA A 63 -10.660 0.440 1.252 1.00 0.00 N ATOM 911 CA ALA A 63 -10.852 -1.004 1.184 1.00 0.00 C ATOM 912 C ALA A 63 -9.886 -1.730 2.113 1.00 0.00 C ATOM 913 O ALA A 63 -10.283 -2.623 2.862 1.00 0.00 O ATOM 914 CB ALA A 63 -10.680 -1.492 -0.247 1.00 0.00 C ATOM 0 H ALA A 63 -10.466 0.883 0.354 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.867 -1.227 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.826 -2.572 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.414 -1.005 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.676 -1.250 -0.596 1.00 0.00 H new ATOM 920 N ALA A 64 -8.616 -1.342 2.059 1.00 0.00 N ATOM 921 CA ALA A 64 -7.594 -1.956 2.898 1.00 0.00 C ATOM 922 C ALA A 64 -7.857 -1.682 4.374 1.00 0.00 C ATOM 923 O ALA A 64 -8.055 -2.608 5.162 1.00 0.00 O ATOM 924 CB ALA A 64 -6.214 -1.451 2.502 1.00 0.00 C ATOM 0 H ALA A 64 -8.270 -0.606 1.443 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.632 -3.034 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.460 -1.917 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.019 -1.705 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.173 -0.369 2.626 1.00 0.00 H new ATOM 930 N ILE A 65 -7.857 -0.405 4.743 1.00 0.00 N ATOM 931 CA ILE A 65 -8.096 -0.010 6.125 1.00 0.00 C ATOM 932 C ILE A 65 -9.296 -0.748 6.708 1.00 0.00 C ATOM 933 O ILE A 65 -9.435 -0.862 7.926 1.00 0.00 O ATOM 934 CB ILE A 65 -8.333 1.507 6.244 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.043 2.272 5.941 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.847 1.856 7.633 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.273 3.718 5.558 1.00 0.00 C ATOM 0 H ILE A 65 -7.694 0.373 4.104 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.201 -0.275 6.688 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.088 1.800 5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.394 2.235 6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.514 1.770 5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.010 2.932 7.701 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.787 1.335 7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.113 1.552 8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.315 4.198 5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.896 3.763 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.774 4.236 6.376 1.00 0.00 H new ATOM 949 N GLU A 66 -10.161 -1.247 5.830 1.00 0.00 N ATOM 950 CA GLU A 66 -11.349 -1.975 6.259 1.00 0.00 C ATOM 951 C GLU A 66 -11.054 -3.465 6.398 1.00 0.00 C ATOM 952 O GLU A 66 -11.413 -4.089 7.396 1.00 0.00 O ATOM 953 CB GLU A 66 -12.492 -1.761 5.264 1.00 0.00 C ATOM 954 CG GLU A 66 -13.867 -2.042 5.846 1.00 0.00 C ATOM 955 CD GLU A 66 -14.930 -2.207 4.778 1.00 0.00 C ATOM 956 OE1 GLU A 66 -14.775 -3.099 3.918 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.918 -1.444 4.803 1.00 0.00 O ATOM 0 H GLU A 66 -10.061 -1.160 4.819 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.648 -1.589 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.462 -0.732 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.335 -2.405 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.823 -2.947 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.149 -1.226 6.511 1.00 0.00 H new ATOM 964 N ALA A 67 -10.397 -4.029 5.390 1.00 0.00 N ATOM 965 CA ALA A 67 -10.051 -5.445 5.400 1.00 0.00 C ATOM 966 C ALA A 67 -8.599 -5.653 5.815 1.00 0.00 C ATOM 967 O ALA A 67 -8.318 -6.317 6.813 1.00 0.00 O ATOM 968 CB ALA A 67 -10.304 -6.060 4.031 1.00 0.00 C ATOM 0 H ALA A 67 -10.094 -3.527 4.556 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.686 -5.943 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.041 -7.118 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.358 -5.953 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.694 -5.550 3.285 1.00 0.00 H new ATOM 974 N MET A 68 -7.680 -5.082 5.044 1.00 0.00 N ATOM 975 CA MET A 68 -6.256 -5.205 5.334 1.00 0.00 C ATOM 976 C MET A 68 -5.963 -4.837 6.785 1.00 0.00 C ATOM 977 O MET A 68 -4.990 -5.311 7.370 1.00 0.00 O ATOM 978 CB MET A 68 -5.444 -4.311 4.395 1.00 0.00 C ATOM 979 CG MET A 68 -5.093 -4.976 3.074 1.00 0.00 C ATOM 980 SD MET A 68 -3.603 -5.985 3.178 1.00 0.00 S ATOM 981 CE MET A 68 -4.309 -7.631 3.198 1.00 0.00 C ATOM 0 H MET A 68 -7.895 -4.530 4.214 1.00 0.00 H new ATOM 0 HA MET A 68 -5.967 -6.244 5.176 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.009 -3.401 4.195 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.524 -4.012 4.897 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.927 -5.599 2.753 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.955 -4.210 2.311 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.038 -8.132 4.127 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.394 -7.562 3.126 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.925 -8.202 2.353 1.00 0.00 H new ATOM 991 N ASN A 69 -6.811 -3.990 7.359 1.00 0.00 N ATOM 992 CA ASN A 69 -6.641 -3.559 8.742 1.00 0.00 C ATOM 993 C ASN A 69 -6.840 -4.726 9.704 1.00 0.00 C ATOM 994 O ASN A 69 -7.887 -4.850 10.338 1.00 0.00 O ATOM 995 CB ASN A 69 -7.627 -2.437 9.073 1.00 0.00 C ATOM 996 CG ASN A 69 -7.556 -2.015 10.528 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.473 -1.924 11.107 1.00 0.00 O ATOM 998 ND2 ASN A 69 -8.713 -1.755 11.125 1.00 0.00 N ATOM 0 H ASN A 69 -7.622 -3.589 6.888 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.623 -3.186 8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.420 -1.576 8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.640 -2.767 8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.729 -1.466 12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.586 -1.844 10.605 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.826 -5.580 9.808 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.909 -6.726 10.695 1.00 0.00 C ATOM 1007 C GLY A 70 -5.714 -8.040 9.964 1.00 0.00 C ATOM 1008 O GLY A 70 -5.567 -9.089 10.591 1.00 0.00 O ATOM 0 H GLY A 70 -4.949 -5.499 9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.154 -6.633 11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.880 -6.729 11.189 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.714 -7.983 8.637 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.538 -9.178 7.821 1.00 0.00 C ATOM 1014 C GLN A 71 -4.351 -10.001 8.310 1.00 0.00 C ATOM 1015 O GLN A 71 -3.248 -9.481 8.474 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.339 -8.796 6.354 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.637 -8.694 5.569 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.177 -10.049 5.157 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -6.518 -10.801 4.439 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -8.384 -10.368 5.611 1.00 0.00 N ATOM 0 H GLN A 71 -5.834 -7.122 8.104 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.439 -9.784 7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.818 -7.840 6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.694 -9.536 5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.383 -8.178 6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.472 -8.087 4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.895 -9.714 6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.800 -11.267 5.367 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.586 -11.288 8.542 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.536 -12.183 9.016 1.00 0.00 C ATOM 1031 C TYR A 72 -2.529 -12.475 7.908 1.00 0.00 C ATOM 1032 O TYR A 72 -2.770 -13.313 7.038 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.143 -13.491 9.526 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.362 -14.120 10.657 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.437 -13.609 11.947 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.550 -15.225 10.436 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.724 -14.180 12.984 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.835 -15.804 11.467 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.925 -15.278 12.739 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.214 -15.850 13.768 1.00 0.00 O ATOM 0 H TYR A 72 -5.493 -11.735 8.410 1.00 0.00 H new ATOM 0 HA TYR A 72 -3.015 -11.688 9.836 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.163 -13.302 9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.205 -14.200 8.700 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.063 -12.751 12.143 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.476 -15.639 9.441 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.792 -13.769 13.981 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.209 -16.664 11.278 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.703 -16.614 13.428 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.398 -11.778 7.947 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.351 -11.962 6.947 1.00 0.00 C ATOM 1052 C LEU A 73 0.621 -13.058 7.372 1.00 0.00 C ATOM 1053 O LEU A 73 0.532 -13.585 8.482 1.00 0.00 O ATOM 1054 CB LEU A 73 0.405 -10.651 6.725 1.00 0.00 C ATOM 1055 CG LEU A 73 1.183 -10.539 5.414 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.347 -11.051 4.251 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.614 -9.100 5.170 1.00 0.00 C ATOM 0 H LEU A 73 -1.183 -11.081 8.660 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.824 -12.264 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.310 -9.830 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.102 -10.513 7.551 1.00 0.00 H new ATOM 0 HG LEU A 73 2.078 -11.157 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.918 -10.963 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.089 -12.096 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.566 -10.461 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.166 -9.040 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.733 -8.461 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.252 -8.767 5.989 1.00 0.00 H new ATOM 1069 N CYS A 74 1.549 -13.395 6.484 1.00 0.00 N ATOM 1070 CA CYS A 74 2.540 -14.427 6.767 1.00 0.00 C ATOM 1071 C CYS A 74 2.868 -14.471 8.256 1.00 0.00 C ATOM 1072 O CYS A 74 3.768 -13.776 8.723 1.00 0.00 O ATOM 1073 CB CYS A 74 3.813 -14.177 5.958 1.00 0.00 C ATOM 1074 SG CYS A 74 3.778 -14.874 4.290 1.00 0.00 S ATOM 0 H CYS A 74 1.636 -12.969 5.562 1.00 0.00 H new ATOM 0 HA CYS A 74 2.119 -15.390 6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.980 -13.102 5.887 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.662 -14.597 6.498 1.00 0.00 H new ATOM 0 HG CYS A 74 4.897 -14.608 3.685 1.00 0.00 H new ATOM 1080 N ASN A 75 2.131 -15.294 8.995 1.00 0.00 N ATOM 1081 CA ASN A 75 2.342 -15.427 10.432 1.00 0.00 C ATOM 1082 C ASN A 75 2.652 -14.073 11.064 1.00 0.00 C ATOM 1083 O ASN A 75 3.612 -13.936 11.823 1.00 0.00 O ATOM 1084 CB ASN A 75 3.484 -16.406 10.712 1.00 0.00 C ATOM 1085 CG ASN A 75 4.827 -15.877 10.244 1.00 0.00 C ATOM 1086 OD1 ASN A 75 5.155 -15.945 9.059 1.00 0.00 O ATOM 1087 ND2 ASN A 75 5.611 -15.347 11.176 1.00 0.00 N ATOM 0 H ASN A 75 1.383 -15.879 8.623 1.00 0.00 H new ATOM 0 HA ASN A 75 1.424 -15.813 10.875 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.530 -16.610 11.782 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.277 -17.354 10.215 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.526 -14.975 10.922 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.298 -15.312 12.146 1.00 0.00 H new ATOM 1094 N ARG A 76 1.832 -13.077 10.746 1.00 0.00 N ATOM 1095 CA ARG A 76 2.018 -11.734 11.282 1.00 0.00 C ATOM 1096 C ARG A 76 0.820 -10.847 10.955 1.00 0.00 C ATOM 1097 O ARG A 76 0.606 -10.450 9.809 1.00 0.00 O ATOM 1098 CB ARG A 76 3.297 -11.110 10.721 1.00 0.00 C ATOM 1099 CG ARG A 76 4.561 -11.575 11.425 1.00 0.00 C ATOM 1100 CD ARG A 76 5.629 -10.492 11.424 1.00 0.00 C ATOM 1101 NE ARG A 76 5.492 -9.587 12.562 1.00 0.00 N ATOM 1102 CZ ARG A 76 5.623 -9.971 13.827 1.00 0.00 C ATOM 1103 NH1 ARG A 76 5.894 -11.237 14.114 1.00 0.00 N ATOM 1104 NH2 ARG A 76 5.484 -9.088 14.807 1.00 0.00 N ATOM 0 H ARG A 76 1.033 -13.175 10.120 1.00 0.00 H new ATOM 0 HA ARG A 76 2.105 -11.812 12.366 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.373 -11.349 9.660 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.226 -10.025 10.799 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.325 -11.854 12.452 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.946 -12.468 10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.615 -10.956 11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.566 -9.921 10.497 1.00 0.00 H new ATOM 0 HE ARG A 76 5.284 -8.606 12.375 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.002 -11.918 13.363 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.994 -11.529 15.086 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.276 -8.113 14.590 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.585 -9.384 15.778 1.00 0.00 H new ATOM 1118 N PRO A 77 0.021 -10.528 11.983 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.168 -9.684 11.830 1.00 0.00 C ATOM 1120 C PRO A 77 -0.814 -8.232 11.527 1.00 0.00 C ATOM 1121 O PRO A 77 -0.511 -7.456 12.434 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.859 -9.794 13.191 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.764 -10.125 14.146 1.00 0.00 C ATOM 1124 CD PRO A 77 0.217 -10.965 13.376 1.00 0.00 C ATOM 0 HA PRO A 77 -1.790 -10.004 10.994 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.351 -8.860 13.462 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.626 -10.568 13.184 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.290 -9.220 14.525 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.150 -10.668 15.009 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.241 -10.795 13.710 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.015 -12.029 13.495 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.856 -7.872 10.249 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.541 -6.512 9.828 1.00 0.00 C ATOM 1134 C ILE A 78 -1.690 -5.560 10.140 1.00 0.00 C ATOM 1135 O ILE A 78 -2.770 -5.986 10.554 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.229 -6.447 8.322 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.480 -6.780 7.505 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.906 -7.399 7.974 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.265 -6.694 6.010 1.00 0.00 C ATOM 0 H ILE A 78 -1.105 -8.503 9.487 1.00 0.00 H new ATOM 0 HA ILE A 78 0.343 -6.205 10.387 1.00 0.00 H new ATOM 0 HB ILE A 78 0.085 -5.433 8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.813 -7.786 7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.282 -6.098 7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.115 -7.341 6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.799 -7.121 8.534 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.619 -8.418 8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.192 -6.942 5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.962 -5.681 5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.486 -7.396 5.714 1.00 0.00 H new ATOM 1151 N THR A 79 -1.453 -4.268 9.937 1.00 0.00 N ATOM 1152 CA THR A 79 -2.468 -3.255 10.195 1.00 0.00 C ATOM 1153 C THR A 79 -2.368 -2.109 9.195 1.00 0.00 C ATOM 1154 O THR A 79 -1.278 -1.760 8.743 1.00 0.00 O ATOM 1155 CB THR A 79 -2.346 -2.688 11.622 1.00 0.00 C ATOM 1156 OG1 THR A 79 -3.299 -1.636 11.815 1.00 0.00 O ATOM 1157 CG2 THR A 79 -0.942 -2.160 11.876 1.00 0.00 C ATOM 0 H THR A 79 -0.566 -3.898 9.594 1.00 0.00 H new ATOM 0 HA THR A 79 -3.436 -3.744 10.088 1.00 0.00 H new ATOM 0 HB THR A 79 -2.548 -3.494 12.328 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.186 -1.943 11.535 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.880 -1.765 12.890 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.222 -2.970 11.757 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.717 -1.367 11.163 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.513 -1.526 8.853 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.554 -0.417 7.907 1.00 0.00 C ATOM 1167 C VAL A 80 -4.241 0.800 8.516 1.00 0.00 C ATOM 1168 O VAL A 80 -5.402 0.733 8.920 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.287 -0.811 6.611 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.215 0.316 5.593 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.704 -2.095 6.040 1.00 0.00 C ATOM 0 H VAL A 80 -4.425 -1.803 9.217 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.520 -0.166 7.669 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.336 -0.988 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.738 0.019 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.683 1.210 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.172 0.528 5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.233 -2.359 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.647 -1.948 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.813 -2.899 6.767 1.00 0.00 H new ATOM 1181 N SER A 81 -3.516 1.912 8.580 1.00 0.00 N ATOM 1182 CA SER A 81 -4.054 3.145 9.143 1.00 0.00 C ATOM 1183 C SER A 81 -3.629 4.353 8.313 1.00 0.00 C ATOM 1184 O SER A 81 -2.572 4.345 7.681 1.00 0.00 O ATOM 1185 CB SER A 81 -3.587 3.316 10.590 1.00 0.00 C ATOM 1186 OG SER A 81 -4.535 4.048 11.348 1.00 0.00 O ATOM 0 H SER A 81 -2.554 1.985 8.249 1.00 0.00 H new ATOM 0 HA SER A 81 -5.142 3.079 9.125 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.432 2.337 11.044 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.627 3.831 10.607 1.00 0.00 H new ATOM 0 HG SER A 81 -4.215 4.142 12.269 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.459 5.389 8.320 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.172 6.604 7.567 1.00 0.00 C ATOM 1194 C TYR A 82 -2.972 7.340 8.156 1.00 0.00 C ATOM 1195 O TYR A 82 -3.077 7.985 9.199 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.394 7.524 7.557 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.376 7.214 6.450 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -6.061 7.470 5.122 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.620 6.663 6.734 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.956 7.189 4.108 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.521 6.377 5.726 1.00 0.00 C ATOM 1202 CZ TYR A 82 -8.184 6.642 4.415 1.00 0.00 C ATOM 1203 OH TYR A 82 -9.078 6.359 3.408 1.00 0.00 O ATOM 0 H TYR A 82 -5.337 5.412 8.839 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.933 6.318 6.543 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.905 7.446 8.517 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.060 8.557 7.456 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.099 7.896 4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.887 6.455 7.760 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.695 7.397 3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.483 5.948 5.963 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.894 5.977 3.793 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.833 7.237 7.480 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.613 7.894 7.934 1.00 0.00 C ATOM 1215 C ALA A 83 -0.915 9.271 8.515 1.00 0.00 C ATOM 1216 O ALA A 83 -0.414 9.630 9.580 1.00 0.00 O ATOM 1217 CB ALA A 83 0.382 8.009 6.788 1.00 0.00 C ATOM 0 H ALA A 83 -1.729 6.705 6.616 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.173 7.284 8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.288 8.501 7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.630 7.013 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.058 8.595 5.981 1.00 0.00 H new