USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 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 174 HIS : no HE2:sc= -1.29! C(o=-1.1!,f=-3!) USER MOD Set 1.2: A 186 LYS NZ :NH3+ -120:sc= 0.176 (180deg=0) USER MOD Set 2.1: A 122 HIS : no HD1:sc= 0.288 K(o=0.2,f=-2.9!) USER MOD Set 2.2: A 123 ASN :FLIP amide:sc= -0.0846 F(o=-0.56,f=0.2) USER MOD Single : A 113 ASN : amide:sc= -0.28 K(o=-0.28,f=-0.97!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot 177:sc= -2.33! USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 165:sc= 0.816 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.584) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl -111:sc= -6.79! (180deg=-8!) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 161:sc= -0.0443 (180deg=-0.353) USER MOD Single : A 151 GLN : amide:sc=-0.00728 K(o=-0.0073,f=-0.71) USER MOD Single : A 160 THR OG1 : rot 180:sc=-0.00237 USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 166 SER OG : rot 167:sc= -0.485 USER MOD Single : A 169 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.58) USER MOD Single : A 172 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 173 MET CE :methyl -150:sc= -0.29 (180deg=-1.17) USER MOD Single : A 176 HIS : no HD1:sc= -3.13 X(o=-3.1,f=-3.1) USER MOD Single : A 179 MET CE :methyl 178:sc= -1.94 (180deg=-1.95) USER MOD Single : A 181 LYS NZ :NH3+ -135:sc= -1.45! (180deg=-3.92!) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 110 N ASN A 113 -5.333 -6.973 10.502 1.00 0.00 N ATOM 111 CA ASN A 113 -4.758 -8.160 9.880 1.00 0.00 C ATOM 112 C ASN A 113 -5.851 -9.059 9.311 1.00 0.00 C ATOM 113 O ASN A 113 -6.015 -10.203 9.737 1.00 0.00 O ATOM 114 CB ASN A 113 -3.920 -8.938 10.897 1.00 0.00 C ATOM 115 CG ASN A 113 -3.276 -8.033 11.929 1.00 0.00 C ATOM 116 OD1 ASN A 113 -2.883 -6.907 11.625 1.00 0.00 O ATOM 117 ND2 ASN A 113 -3.166 -8.523 13.159 1.00 0.00 N ATOM 0 HA ASN A 113 -4.116 -7.836 9.061 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -4.552 -9.668 11.402 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -3.144 -9.497 10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.742 -7.960 13.896 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -3.506 -9.462 13.366 1.00 0.00 H new ATOM 124 N LYS A 114 -6.596 -8.535 8.344 1.00 0.00 N ATOM 125 CA LYS A 114 -7.673 -9.289 7.713 1.00 0.00 C ATOM 126 C LYS A 114 -7.398 -9.490 6.226 1.00 0.00 C ATOM 127 O LYS A 114 -6.773 -8.647 5.582 1.00 0.00 O ATOM 128 CB LYS A 114 -9.009 -8.567 7.903 1.00 0.00 C ATOM 129 CG LYS A 114 -10.219 -9.445 7.636 1.00 0.00 C ATOM 130 CD LYS A 114 -11.420 -8.623 7.201 1.00 0.00 C ATOM 131 CE LYS A 114 -12.220 -8.130 8.397 1.00 0.00 C ATOM 132 NZ LYS A 114 -12.961 -6.875 8.090 1.00 0.00 N ATOM 0 H LYS A 114 -6.474 -7.590 7.980 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.725 -10.268 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.065 -8.187 8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.043 -7.704 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.977 -10.174 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -10.468 -10.006 8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.084 -7.771 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -12.060 -9.225 6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.925 -8.902 8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.548 -7.958 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.493 -6.572 8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.287 -6.131 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.621 -7.045 7.305 1.00 0.00 H new ATOM 146 N ILE A 115 -7.870 -10.609 5.687 1.00 0.00 N ATOM 147 CA ILE A 115 -7.677 -10.917 4.276 1.00 0.00 C ATOM 148 C ILE A 115 -8.996 -11.291 3.609 1.00 0.00 C ATOM 149 O ILE A 115 -9.931 -11.745 4.270 1.00 0.00 O ATOM 150 CB ILE A 115 -6.673 -12.070 4.084 1.00 0.00 C ATOM 151 CG1 ILE A 115 -7.283 -13.391 4.556 1.00 0.00 C ATOM 152 CG2 ILE A 115 -5.382 -11.778 4.835 1.00 0.00 C ATOM 153 CD1 ILE A 115 -6.521 -14.610 4.087 1.00 0.00 C ATOM 0 H ILE A 115 -8.389 -11.317 6.206 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.279 -10.017 3.808 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.442 -12.158 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.323 -13.395 5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -8.311 -13.455 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.683 -12.601 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.941 -10.856 4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -5.597 -11.667 5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -7.010 -15.510 4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.503 -14.631 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.500 -14.569 4.466 1.00 0.00 H new ATOM 165 N PHE A 116 -9.065 -11.100 2.296 1.00 0.00 N ATOM 166 CA PHE A 116 -10.270 -11.418 1.539 1.00 0.00 C ATOM 167 C PHE A 116 -10.086 -12.706 0.741 1.00 0.00 C ATOM 168 O PHE A 116 -9.442 -12.713 -0.308 1.00 0.00 O ATOM 169 CB PHE A 116 -10.623 -10.266 0.596 1.00 0.00 C ATOM 170 CG PHE A 116 -11.503 -10.678 -0.550 1.00 0.00 C ATOM 171 CD1 PHE A 116 -10.950 -11.112 -1.744 1.00 0.00 C ATOM 172 CD2 PHE A 116 -12.883 -10.631 -0.433 1.00 0.00 C ATOM 173 CE1 PHE A 116 -11.756 -11.492 -2.800 1.00 0.00 C ATOM 174 CE2 PHE A 116 -13.694 -11.010 -1.486 1.00 0.00 C ATOM 175 CZ PHE A 116 -13.131 -11.440 -2.671 1.00 0.00 C ATOM 0 H PHE A 116 -8.300 -10.726 1.734 1.00 0.00 H new ATOM 0 HA PHE A 116 -11.087 -11.563 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -11.123 -9.482 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.703 -9.835 0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.876 -11.154 -1.851 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -13.330 -10.295 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -11.312 -11.829 -3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -14.768 -10.970 -1.382 1.00 0.00 H new ATOM 0 HZ PHE A 116 -13.764 -11.735 -3.495 1.00 0.00 H new ATOM 185 N VAL A 117 -10.657 -13.794 1.246 1.00 0.00 N ATOM 186 CA VAL A 117 -10.558 -15.088 0.582 1.00 0.00 C ATOM 187 C VAL A 117 -11.751 -15.326 -0.338 1.00 0.00 C ATOM 188 O VAL A 117 -12.902 -15.246 0.087 1.00 0.00 O ATOM 189 CB VAL A 117 -10.474 -16.239 1.602 1.00 0.00 C ATOM 190 CG1 VAL A 117 -10.498 -17.584 0.894 1.00 0.00 C ATOM 191 CG2 VAL A 117 -9.224 -16.100 2.459 1.00 0.00 C ATOM 0 H VAL A 117 -11.193 -13.805 2.113 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.643 -15.070 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.344 -16.186 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.438 -18.384 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.425 -17.681 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.649 -17.652 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.180 -16.921 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.341 -16.127 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.255 -15.152 2.996 1.00 0.00 H new ATOM 201 N GLY A 118 -11.466 -15.620 -1.604 1.00 0.00 N ATOM 202 CA GLY A 118 -12.525 -15.865 -2.565 1.00 0.00 C ATOM 203 C GLY A 118 -12.339 -17.171 -3.312 1.00 0.00 C ATOM 204 O GLY A 118 -11.400 -17.919 -3.044 1.00 0.00 O ATOM 0 H GLY A 118 -10.521 -15.693 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.484 -15.879 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.560 -15.043 -3.280 1.00 0.00 H new ATOM 208 N GLY A 119 -13.237 -17.446 -4.253 1.00 0.00 N ATOM 209 CA GLY A 119 -13.150 -18.672 -5.025 1.00 0.00 C ATOM 210 C GLY A 119 -13.241 -19.912 -4.158 1.00 0.00 C ATOM 211 O GLY A 119 -13.024 -21.027 -4.633 1.00 0.00 O ATOM 0 H GLY A 119 -14.023 -16.842 -4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -13.951 -18.690 -5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -12.209 -18.685 -5.575 1.00 0.00 H new ATOM 215 N ILE A 120 -13.561 -19.718 -2.883 1.00 0.00 N ATOM 216 CA ILE A 120 -13.678 -20.829 -1.948 1.00 0.00 C ATOM 217 C ILE A 120 -14.728 -21.832 -2.415 1.00 0.00 C ATOM 218 O ILE A 120 -15.809 -21.467 -2.878 1.00 0.00 O ATOM 219 CB ILE A 120 -14.046 -20.340 -0.534 1.00 0.00 C ATOM 220 CG1 ILE A 120 -13.014 -19.324 -0.039 1.00 0.00 C ATOM 221 CG2 ILE A 120 -14.142 -21.516 0.425 1.00 0.00 C ATOM 222 CD1 ILE A 120 -13.489 -18.510 1.144 1.00 0.00 C ATOM 0 H ILE A 120 -13.744 -18.802 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 120 -12.703 -21.315 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 120 -15.019 -19.851 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -12.100 -19.851 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -12.760 -18.649 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -14.403 -21.154 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -14.910 -22.207 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -13.182 -22.031 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -12.708 -17.811 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -14.386 -17.956 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -13.716 -19.176 1.976 1.00 0.00 H new ATOM 234 N PRO A 121 -14.405 -23.128 -2.290 1.00 0.00 N ATOM 235 CA PRO A 121 -15.308 -24.211 -2.692 1.00 0.00 C ATOM 236 C PRO A 121 -16.522 -24.324 -1.776 1.00 0.00 C ATOM 237 O PRO A 121 -16.577 -23.690 -0.721 1.00 0.00 O ATOM 238 CB PRO A 121 -14.434 -25.462 -2.578 1.00 0.00 C ATOM 239 CG PRO A 121 -13.393 -25.107 -1.572 1.00 0.00 C ATOM 240 CD PRO A 121 -13.135 -23.636 -1.746 1.00 0.00 C ATOM 0 HA PRO A 121 -15.719 -24.050 -3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -15.018 -26.325 -2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -13.986 -25.720 -3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -13.736 -25.326 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -12.483 -25.685 -1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -12.884 -23.158 -0.799 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -12.304 -23.452 -2.427 1.00 0.00 H new ATOM 248 N HIS A 122 -17.493 -25.134 -2.184 1.00 0.00 N ATOM 249 CA HIS A 122 -18.706 -25.331 -1.399 1.00 0.00 C ATOM 250 C HIS A 122 -18.506 -26.424 -0.354 1.00 0.00 C ATOM 251 O HIS A 122 -19.468 -26.935 0.216 1.00 0.00 O ATOM 252 CB HIS A 122 -19.878 -25.691 -2.313 1.00 0.00 C ATOM 253 CG HIS A 122 -19.747 -27.040 -2.951 1.00 0.00 C ATOM 254 ND1 HIS A 122 -18.590 -27.473 -3.565 1.00 0.00 N ATOM 255 CD2 HIS A 122 -20.635 -28.054 -3.067 1.00 0.00 C ATOM 256 CE1 HIS A 122 -18.773 -28.695 -4.032 1.00 0.00 C ATOM 257 NE2 HIS A 122 -20.006 -29.071 -3.743 1.00 0.00 N ATOM 0 H HIS A 122 -17.464 -25.665 -3.054 1.00 0.00 H new ATOM 0 HA HIS A 122 -18.931 -24.397 -0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -20.802 -25.659 -1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -19.965 -24.936 -3.094 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -21.650 -28.062 -2.697 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -18.039 -29.286 -4.560 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -20.423 -29.970 -3.983 1.00 0.00 H new ATOM 265 N ASN A 123 -17.248 -26.778 -0.109 1.00 0.00 N ATOM 266 CA ASN A 123 -16.922 -27.812 0.867 1.00 0.00 C ATOM 267 C ASN A 123 -15.965 -27.276 1.928 1.00 0.00 C ATOM 268 O ASN A 123 -15.942 -27.762 3.059 1.00 0.00 O ATOM 269 CB ASN A 123 -16.300 -29.023 0.168 1.00 0.00 C ATOM 270 CG ASN A 123 -17.298 -29.765 -0.700 1.00 0.00 C ATOM 271 OD1 ASN A 123 -16.929 -30.003 -1.953 1.00 0.00 O flip ATOM 272 ND2 ASN A 123 -18.387 -30.120 -0.248 1.00 0.00 N flip ATOM 0 H ASN A 123 -16.439 -26.365 -0.572 1.00 0.00 H new ATOM 0 HA ASN A 123 -17.846 -28.118 1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -15.462 -28.694 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -15.897 -29.704 0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -18.628 -29.915 0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -19.048 -30.619 -0.843 1.00 0.00 H new ATOM 279 N CYS A 124 -15.178 -26.273 1.554 1.00 0.00 N ATOM 280 CA CYS A 124 -14.219 -25.671 2.473 1.00 0.00 C ATOM 281 C CYS A 124 -14.931 -24.833 3.530 1.00 0.00 C ATOM 282 O CYS A 124 -15.618 -23.863 3.209 1.00 0.00 O ATOM 283 CB CYS A 124 -13.220 -24.805 1.705 1.00 0.00 C ATOM 284 SG CYS A 124 -12.125 -23.827 2.762 1.00 0.00 S ATOM 0 H CYS A 124 -15.185 -25.860 0.621 1.00 0.00 H new ATOM 0 HA CYS A 124 -13.681 -26.475 2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -12.613 -25.448 1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -13.770 -24.131 1.047 1.00 0.00 H new ATOM 0 HG CYS A 124 -11.274 -23.179 2.023 1.00 0.00 H new ATOM 290 N GLY A 125 -14.764 -25.214 4.793 1.00 0.00 N ATOM 291 CA GLY A 125 -15.398 -24.488 5.877 1.00 0.00 C ATOM 292 C GLY A 125 -14.392 -23.894 6.844 1.00 0.00 C ATOM 293 O GLY A 125 -13.186 -23.960 6.611 1.00 0.00 O ATOM 0 H GLY A 125 -14.201 -26.013 5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -16.015 -23.690 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -16.065 -25.159 6.418 1.00 0.00 H new ATOM 297 N GLU A 126 -14.890 -23.312 7.930 1.00 0.00 N ATOM 298 CA GLU A 126 -14.025 -22.702 8.934 1.00 0.00 C ATOM 299 C GLU A 126 -12.799 -23.572 9.196 1.00 0.00 C ATOM 300 O GLU A 126 -11.667 -23.166 8.934 1.00 0.00 O ATOM 301 CB GLU A 126 -14.796 -22.481 10.237 1.00 0.00 C ATOM 302 CG GLU A 126 -14.030 -21.667 11.266 1.00 0.00 C ATOM 303 CD GLU A 126 -14.808 -21.473 12.553 1.00 0.00 C ATOM 304 OE1 GLU A 126 -15.993 -21.085 12.476 1.00 0.00 O ATOM 305 OE2 GLU A 126 -14.234 -21.709 13.636 1.00 0.00 O ATOM 0 H GLU A 126 -15.887 -23.250 8.137 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.690 -21.738 8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -15.735 -21.976 10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -15.050 -23.449 10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -13.086 -22.165 11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -13.785 -20.693 10.844 1.00 0.00 H new ATOM 312 N THR A 127 -13.034 -24.772 9.718 1.00 0.00 N ATOM 313 CA THR A 127 -11.950 -25.700 10.019 1.00 0.00 C ATOM 314 C THR A 127 -10.909 -25.708 8.905 1.00 0.00 C ATOM 315 O THR A 127 -9.723 -25.491 9.151 1.00 0.00 O ATOM 316 CB THR A 127 -12.478 -27.132 10.224 1.00 0.00 C ATOM 317 OG1 THR A 127 -13.290 -27.191 11.402 1.00 0.00 O ATOM 318 CG2 THR A 127 -11.327 -28.120 10.345 1.00 0.00 C ATOM 0 H THR A 127 -13.965 -25.124 9.941 1.00 0.00 H new ATOM 0 HA THR A 127 -11.486 -25.356 10.944 1.00 0.00 H new ATOM 0 HB THR A 127 -13.079 -27.402 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 127 -13.623 -28.104 11.524 1.00 0.00 H new ATOM 0 HG21 THR A 127 -11.724 -29.125 10.489 1.00 0.00 H new ATOM 0 HG22 THR A 127 -10.728 -28.094 9.435 1.00 0.00 H new ATOM 0 HG23 THR A 127 -10.704 -27.850 11.198 1.00 0.00 H new ATOM 326 N GLU A 128 -11.361 -25.960 7.681 1.00 0.00 N ATOM 327 CA GLU A 128 -10.466 -25.996 6.530 1.00 0.00 C ATOM 328 C GLU A 128 -9.661 -24.704 6.425 1.00 0.00 C ATOM 329 O GLU A 128 -8.439 -24.706 6.584 1.00 0.00 O ATOM 330 CB GLU A 128 -11.264 -26.218 5.243 1.00 0.00 C ATOM 331 CG GLU A 128 -11.828 -27.623 5.111 1.00 0.00 C ATOM 332 CD GLU A 128 -10.766 -28.695 5.261 1.00 0.00 C ATOM 333 OE1 GLU A 128 -9.574 -28.382 5.060 1.00 0.00 O ATOM 334 OE2 GLU A 128 -11.127 -29.847 5.580 1.00 0.00 O ATOM 0 H GLU A 128 -12.340 -26.142 7.461 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.772 -26.825 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.084 -25.501 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.622 -26.012 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.599 -27.773 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.309 -27.727 4.139 1.00 0.00 H new ATOM 341 N LEU A 129 -10.353 -23.603 6.157 1.00 0.00 N ATOM 342 CA LEU A 129 -9.704 -22.303 6.030 1.00 0.00 C ATOM 343 C LEU A 129 -8.523 -22.188 6.989 1.00 0.00 C ATOM 344 O LEU A 129 -7.383 -22.000 6.566 1.00 0.00 O ATOM 345 CB LEU A 129 -10.707 -21.181 6.302 1.00 0.00 C ATOM 346 CG LEU A 129 -11.902 -21.104 5.351 1.00 0.00 C ATOM 347 CD1 LEU A 129 -12.984 -20.203 5.925 1.00 0.00 C ATOM 348 CD2 LEU A 129 -11.463 -20.607 3.981 1.00 0.00 C ATOM 0 H LEU A 129 -11.364 -23.584 6.023 1.00 0.00 H new ATOM 0 HA LEU A 129 -9.331 -22.209 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -11.084 -21.296 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -10.176 -20.230 6.265 1.00 0.00 H new ATOM 0 HG LEU A 129 -12.315 -22.106 5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -13.826 -20.160 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -13.319 -20.602 6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -12.583 -19.200 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -12.327 -20.559 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -11.024 -19.614 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -10.724 -21.292 3.565 1.00 0.00 H new ATOM 360 N ARG A 130 -8.805 -22.305 8.283 1.00 0.00 N ATOM 361 CA ARG A 130 -7.767 -22.215 9.302 1.00 0.00 C ATOM 362 C ARG A 130 -6.699 -23.284 9.086 1.00 0.00 C ATOM 363 O ARG A 130 -5.517 -22.973 8.944 1.00 0.00 O ATOM 364 CB ARG A 130 -8.377 -22.364 10.697 1.00 0.00 C ATOM 365 CG ARG A 130 -9.529 -21.408 10.963 1.00 0.00 C ATOM 366 CD ARG A 130 -10.322 -21.821 12.193 1.00 0.00 C ATOM 367 NE ARG A 130 -9.749 -21.278 13.421 1.00 0.00 N ATOM 368 CZ ARG A 130 -8.740 -21.843 14.074 1.00 0.00 C ATOM 369 NH1 ARG A 130 -8.195 -22.962 13.618 1.00 0.00 N ATOM 370 NH2 ARG A 130 -8.273 -21.289 15.186 1.00 0.00 N ATOM 0 H ARG A 130 -9.744 -22.462 8.650 1.00 0.00 H new ATOM 0 HA ARG A 130 -7.298 -21.235 9.221 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -8.729 -23.388 10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -7.600 -22.200 11.444 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -9.141 -20.399 11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -10.189 -21.381 10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -11.352 -21.479 12.092 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -10.352 -22.909 12.257 1.00 0.00 H new ATOM 0 HE ARG A 130 -10.145 -20.417 13.798 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -8.550 -23.391 12.764 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -7.420 -23.394 14.121 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -8.689 -20.428 15.540 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -7.498 -21.724 15.686 1.00 0.00 H new ATOM 384 N GLU A 131 -7.125 -24.543 9.062 1.00 0.00 N ATOM 385 CA GLU A 131 -6.205 -25.656 8.864 1.00 0.00 C ATOM 386 C GLU A 131 -5.250 -25.375 7.708 1.00 0.00 C ATOM 387 O GLU A 131 -4.143 -25.910 7.659 1.00 0.00 O ATOM 388 CB GLU A 131 -6.982 -26.947 8.596 1.00 0.00 C ATOM 389 CG GLU A 131 -7.448 -27.651 9.860 1.00 0.00 C ATOM 390 CD GLU A 131 -6.309 -28.308 10.615 1.00 0.00 C ATOM 391 OE1 GLU A 131 -5.488 -28.994 9.971 1.00 0.00 O ATOM 392 OE2 GLU A 131 -6.239 -28.137 11.850 1.00 0.00 O ATOM 0 H GLU A 131 -8.101 -24.817 9.177 1.00 0.00 H new ATOM 0 HA GLU A 131 -5.619 -25.775 9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -7.850 -26.717 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -6.353 -27.627 8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -7.943 -26.931 10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -8.189 -28.406 9.599 1.00 0.00 H new ATOM 399 N TYR A 132 -5.688 -24.532 6.779 1.00 0.00 N ATOM 400 CA TYR A 132 -4.875 -24.181 5.621 1.00 0.00 C ATOM 401 C TYR A 132 -4.247 -22.801 5.794 1.00 0.00 C ATOM 402 O TYR A 132 -3.254 -22.472 5.145 1.00 0.00 O ATOM 403 CB TYR A 132 -5.722 -24.212 4.348 1.00 0.00 C ATOM 404 CG TYR A 132 -4.904 -24.226 3.076 1.00 0.00 C ATOM 405 CD1 TYR A 132 -4.292 -23.070 2.608 1.00 0.00 C ATOM 406 CD2 TYR A 132 -4.743 -25.396 2.344 1.00 0.00 C ATOM 407 CE1 TYR A 132 -3.545 -23.079 1.446 1.00 0.00 C ATOM 408 CE2 TYR A 132 -3.997 -25.414 1.182 1.00 0.00 C ATOM 409 CZ TYR A 132 -3.400 -24.253 0.737 1.00 0.00 C ATOM 410 OH TYR A 132 -2.655 -24.266 -0.420 1.00 0.00 O ATOM 0 H TYR A 132 -6.602 -24.079 6.806 1.00 0.00 H new ATOM 0 HA TYR A 132 -4.075 -24.916 5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -6.361 -25.095 4.369 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -6.379 -23.342 4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -4.402 -22.149 3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.209 -26.307 2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -3.077 -22.171 1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -3.882 -26.332 0.625 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.450 -25.192 -0.667 1.00 0.00 H new ATOM 420 N PHE A 133 -4.834 -21.998 6.675 1.00 0.00 N ATOM 421 CA PHE A 133 -4.334 -20.652 6.935 1.00 0.00 C ATOM 422 C PHE A 133 -3.591 -20.596 8.266 1.00 0.00 C ATOM 423 O PHE A 133 -3.249 -19.519 8.755 1.00 0.00 O ATOM 424 CB PHE A 133 -5.489 -19.648 6.939 1.00 0.00 C ATOM 425 CG PHE A 133 -6.025 -19.345 5.569 1.00 0.00 C ATOM 426 CD1 PHE A 133 -5.165 -19.055 4.523 1.00 0.00 C ATOM 427 CD2 PHE A 133 -7.390 -19.351 5.329 1.00 0.00 C ATOM 428 CE1 PHE A 133 -5.655 -18.776 3.261 1.00 0.00 C ATOM 429 CE2 PHE A 133 -7.886 -19.073 4.069 1.00 0.00 C ATOM 430 CZ PHE A 133 -7.017 -18.784 3.034 1.00 0.00 C ATOM 0 H PHE A 133 -5.656 -22.255 7.221 1.00 0.00 H new ATOM 0 HA PHE A 133 -3.637 -20.390 6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -6.297 -20.038 7.558 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -5.152 -18.720 7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -4.099 -19.047 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -8.073 -19.575 6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -4.974 -18.552 2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -8.952 -19.082 3.894 1.00 0.00 H new ATOM 0 HZ PHE A 133 -7.403 -18.565 2.049 1.00 0.00 H new ATOM 440 N LYS A 134 -3.345 -21.765 8.849 1.00 0.00 N ATOM 441 CA LYS A 134 -2.642 -21.851 10.124 1.00 0.00 C ATOM 442 C LYS A 134 -1.139 -21.999 9.908 1.00 0.00 C ATOM 443 O LYS A 134 -0.345 -21.768 10.819 1.00 0.00 O ATOM 444 CB LYS A 134 -3.169 -23.033 10.941 1.00 0.00 C ATOM 445 CG LYS A 134 -2.834 -24.386 10.340 1.00 0.00 C ATOM 446 CD LYS A 134 -2.948 -25.498 11.370 1.00 0.00 C ATOM 447 CE LYS A 134 -2.753 -26.867 10.736 1.00 0.00 C ATOM 448 NZ LYS A 134 -2.712 -27.950 11.757 1.00 0.00 N ATOM 0 H LYS A 134 -3.622 -22.666 8.459 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.823 -20.927 10.673 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -2.756 -22.980 11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -4.251 -22.945 11.035 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.505 -24.591 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -1.822 -24.365 9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -2.204 -25.349 12.152 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -3.926 -25.453 11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -3.564 -27.061 10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -1.826 -26.873 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -2.578 -28.867 11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -1.923 -27.779 12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -3.607 -27.961 12.287 1.00 0.00 H new ATOM 462 N LYS A 135 -0.756 -22.385 8.696 1.00 0.00 N ATOM 463 CA LYS A 135 0.652 -22.561 8.358 1.00 0.00 C ATOM 464 C LYS A 135 1.336 -21.213 8.156 1.00 0.00 C ATOM 465 O LYS A 135 2.487 -21.024 8.550 1.00 0.00 O ATOM 466 CB LYS A 135 0.791 -23.410 7.093 1.00 0.00 C ATOM 467 CG LYS A 135 -0.016 -22.888 5.917 1.00 0.00 C ATOM 468 CD LYS A 135 0.404 -23.548 4.614 1.00 0.00 C ATOM 469 CE LYS A 135 -0.382 -24.824 4.357 1.00 0.00 C ATOM 470 NZ LYS A 135 0.229 -25.999 5.038 1.00 0.00 N ATOM 0 H LYS A 135 -1.401 -22.582 7.931 1.00 0.00 H new ATOM 0 HA LYS A 135 1.138 -23.074 9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 135 1.843 -23.455 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 135 0.477 -24.430 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -1.076 -23.070 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 135 0.113 -21.809 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 135 0.252 -22.853 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 135 1.469 -23.776 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -1.407 -24.695 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -0.430 -25.011 3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.413 -26.748 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.124 -25.715 5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -0.423 -26.356 5.765 1.00 0.00 H new ATOM 484 N PHE A 136 0.620 -20.277 7.540 1.00 0.00 N ATOM 485 CA PHE A 136 1.158 -18.946 7.287 1.00 0.00 C ATOM 486 C PHE A 136 1.324 -18.169 8.589 1.00 0.00 C ATOM 487 O PHE A 136 2.200 -17.313 8.707 1.00 0.00 O ATOM 488 CB PHE A 136 0.242 -18.175 6.334 1.00 0.00 C ATOM 489 CG PHE A 136 0.226 -18.730 4.938 1.00 0.00 C ATOM 490 CD1 PHE A 136 1.372 -18.718 4.160 1.00 0.00 C ATOM 491 CD2 PHE A 136 -0.936 -19.264 4.404 1.00 0.00 C ATOM 492 CE1 PHE A 136 1.360 -19.228 2.876 1.00 0.00 C ATOM 493 CE2 PHE A 136 -0.955 -19.775 3.120 1.00 0.00 C ATOM 494 CZ PHE A 136 0.195 -19.758 2.355 1.00 0.00 C ATOM 0 H PHE A 136 -0.334 -20.416 7.207 1.00 0.00 H new ATOM 0 HA PHE A 136 2.139 -19.060 6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -0.773 -18.184 6.732 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.562 -17.133 6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 136 2.286 -18.305 4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -1.838 -19.281 4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 136 2.260 -19.212 2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -1.868 -20.187 2.715 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.184 -20.158 1.352 1.00 0.00 H new ATOM 504 N GLY A 137 0.476 -18.475 9.567 1.00 0.00 N ATOM 505 CA GLY A 137 0.545 -17.797 10.848 1.00 0.00 C ATOM 506 C GLY A 137 -0.430 -18.368 11.859 1.00 0.00 C ATOM 507 O GLY A 137 -0.411 -19.566 12.143 1.00 0.00 O ATOM 0 H GLY A 137 -0.257 -19.180 9.495 1.00 0.00 H new ATOM 0 HA2 GLY A 137 1.558 -17.873 11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 137 0.337 -16.736 10.706 1.00 0.00 H new ATOM 511 N VAL A 138 -1.284 -17.509 12.406 1.00 0.00 N ATOM 512 CA VAL A 138 -2.270 -17.934 13.392 1.00 0.00 C ATOM 513 C VAL A 138 -3.618 -17.265 13.145 1.00 0.00 C ATOM 514 O VAL A 138 -3.796 -16.080 13.429 1.00 0.00 O ATOM 515 CB VAL A 138 -1.806 -17.614 14.825 1.00 0.00 C ATOM 516 CG1 VAL A 138 -2.980 -17.664 15.791 1.00 0.00 C ATOM 517 CG2 VAL A 138 -0.708 -18.575 15.256 1.00 0.00 C ATOM 0 H VAL A 138 -1.313 -16.514 12.183 1.00 0.00 H new ATOM 0 HA VAL A 138 -2.378 -19.013 13.286 1.00 0.00 H new ATOM 0 HB VAL A 138 -1.399 -16.603 14.839 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.632 -17.435 16.798 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -3.730 -16.932 15.491 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -3.421 -18.661 15.777 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -0.392 -18.335 16.271 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -1.086 -19.597 15.226 1.00 0.00 H new ATOM 0 HG23 VAL A 138 0.142 -18.483 14.580 1.00 0.00 H new ATOM 527 N VAL A 139 -4.565 -18.032 12.614 1.00 0.00 N ATOM 528 CA VAL A 139 -5.898 -17.514 12.329 1.00 0.00 C ATOM 529 C VAL A 139 -6.622 -17.126 13.614 1.00 0.00 C ATOM 530 O VAL A 139 -7.007 -17.985 14.407 1.00 0.00 O ATOM 531 CB VAL A 139 -6.749 -18.545 11.565 1.00 0.00 C ATOM 532 CG1 VAL A 139 -8.086 -17.941 11.162 1.00 0.00 C ATOM 533 CG2 VAL A 139 -5.997 -19.056 10.345 1.00 0.00 C ATOM 0 H VAL A 139 -4.434 -19.014 12.372 1.00 0.00 H new ATOM 0 HA VAL A 139 -5.768 -16.629 11.706 1.00 0.00 H new ATOM 0 HB VAL A 139 -6.944 -19.390 12.225 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -8.673 -18.684 10.623 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -8.628 -17.628 12.055 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -7.916 -17.077 10.519 1.00 0.00 H new ATOM 0 HG21 VAL A 139 -6.613 -19.784 9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -5.771 -18.222 9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -5.068 -19.529 10.662 1.00 0.00 H new ATOM 543 N THR A 140 -6.806 -15.824 13.813 1.00 0.00 N ATOM 544 CA THR A 140 -7.483 -15.321 15.001 1.00 0.00 C ATOM 545 C THR A 140 -8.991 -15.256 14.788 1.00 0.00 C ATOM 546 O THR A 140 -9.768 -15.552 15.695 1.00 0.00 O ATOM 547 CB THR A 140 -6.971 -13.921 15.390 1.00 0.00 C ATOM 548 OG1 THR A 140 -7.102 -13.026 14.280 1.00 0.00 O ATOM 549 CG2 THR A 140 -5.516 -13.981 15.830 1.00 0.00 C ATOM 0 H THR A 140 -6.495 -15.099 13.166 1.00 0.00 H new ATOM 0 HA THR A 140 -7.262 -16.018 15.809 1.00 0.00 H new ATOM 0 HB THR A 140 -7.572 -13.556 16.223 1.00 0.00 H new ATOM 0 HG1 THR A 140 -6.776 -12.138 14.536 1.00 0.00 H new ATOM 0 HG21 THR A 140 -5.176 -12.981 16.100 1.00 0.00 H new ATOM 0 HG22 THR A 140 -5.424 -14.641 16.693 1.00 0.00 H new ATOM 0 HG23 THR A 140 -4.904 -14.364 15.013 1.00 0.00 H new ATOM 557 N GLU A 141 -9.398 -14.868 13.583 1.00 0.00 N ATOM 558 CA GLU A 141 -10.815 -14.765 13.253 1.00 0.00 C ATOM 559 C GLU A 141 -11.092 -15.332 11.863 1.00 0.00 C ATOM 560 O GLU A 141 -10.252 -15.246 10.967 1.00 0.00 O ATOM 561 CB GLU A 141 -11.273 -13.307 13.322 1.00 0.00 C ATOM 562 CG GLU A 141 -12.778 -13.147 13.455 1.00 0.00 C ATOM 563 CD GLU A 141 -13.169 -11.850 14.135 1.00 0.00 C ATOM 564 OE1 GLU A 141 -12.886 -10.774 13.566 1.00 0.00 O ATOM 565 OE2 GLU A 141 -13.757 -11.909 15.235 1.00 0.00 O ATOM 0 H GLU A 141 -8.768 -14.620 12.820 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.376 -15.349 13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -10.788 -12.823 14.170 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -10.939 -12.787 12.424 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -13.232 -13.185 12.465 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -13.180 -13.986 14.023 1.00 0.00 H new ATOM 572 N VAL A 142 -12.276 -15.911 11.692 1.00 0.00 N ATOM 573 CA VAL A 142 -12.665 -16.491 10.412 1.00 0.00 C ATOM 574 C VAL A 142 -14.054 -16.022 9.995 1.00 0.00 C ATOM 575 O VAL A 142 -15.063 -16.603 10.394 1.00 0.00 O ATOM 576 CB VAL A 142 -12.650 -18.030 10.465 1.00 0.00 C ATOM 577 CG1 VAL A 142 -12.985 -18.616 9.102 1.00 0.00 C ATOM 578 CG2 VAL A 142 -11.299 -18.533 10.954 1.00 0.00 C ATOM 0 H VAL A 142 -12.982 -15.991 12.423 1.00 0.00 H new ATOM 0 HA VAL A 142 -11.935 -16.153 9.677 1.00 0.00 H new ATOM 0 HB VAL A 142 -13.412 -18.359 11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.969 -19.704 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -13.977 -18.283 8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -12.249 -18.281 8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.306 -19.623 10.985 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.517 -18.195 10.274 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -11.105 -18.143 11.953 1.00 0.00 H new ATOM 588 N VAL A 143 -14.099 -14.965 9.190 1.00 0.00 N ATOM 589 CA VAL A 143 -15.365 -14.417 8.717 1.00 0.00 C ATOM 590 C VAL A 143 -15.791 -15.070 7.408 1.00 0.00 C ATOM 591 O VAL A 143 -14.972 -15.289 6.516 1.00 0.00 O ATOM 592 CB VAL A 143 -15.275 -12.893 8.513 1.00 0.00 C ATOM 593 CG1 VAL A 143 -16.600 -12.344 8.005 1.00 0.00 C ATOM 594 CG2 VAL A 143 -14.864 -12.206 9.806 1.00 0.00 C ATOM 0 H VAL A 143 -13.273 -14.471 8.852 1.00 0.00 H new ATOM 0 HA VAL A 143 -16.109 -14.630 9.484 1.00 0.00 H new ATOM 0 HB VAL A 143 -14.512 -12.688 7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -16.518 -11.266 7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -16.848 -12.814 7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -17.385 -12.558 8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -14.805 -11.130 9.643 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -15.602 -12.416 10.580 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -13.890 -12.579 10.122 1.00 0.00 H new ATOM 604 N MET A 144 -17.079 -15.380 7.299 1.00 0.00 N ATOM 605 CA MET A 144 -17.615 -16.007 6.096 1.00 0.00 C ATOM 606 C MET A 144 -18.951 -15.382 5.707 1.00 0.00 C ATOM 607 O MET A 144 -19.760 -15.037 6.569 1.00 0.00 O ATOM 608 CB MET A 144 -17.786 -17.512 6.313 1.00 0.00 C ATOM 609 CG MET A 144 -16.479 -18.285 6.265 1.00 0.00 C ATOM 610 SD MET A 144 -16.729 -20.068 6.158 1.00 0.00 S ATOM 611 CE MET A 144 -15.910 -20.432 4.608 1.00 0.00 C ATOM 0 H MET A 144 -17.771 -15.207 8.029 1.00 0.00 H new ATOM 0 HA MET A 144 -16.907 -15.843 5.284 1.00 0.00 H new ATOM 0 HB2 MET A 144 -18.263 -17.680 7.279 1.00 0.00 H new ATOM 0 HB3 MET A 144 -18.460 -17.906 5.552 1.00 0.00 H new ATOM 0 HG2 MET A 144 -15.896 -17.952 5.407 1.00 0.00 H new ATOM 0 HG3 MET A 144 -15.894 -18.057 7.156 1.00 0.00 H new ATOM 0 HE1 MET A 144 -16.652 -20.718 3.863 1.00 0.00 H new ATOM 0 HE2 MET A 144 -15.373 -19.548 4.264 1.00 0.00 H new ATOM 0 HE3 MET A 144 -15.206 -21.251 4.752 1.00 0.00 H new ATOM 621 N ILE A 145 -19.175 -15.240 4.405 1.00 0.00 N ATOM 622 CA ILE A 145 -20.414 -14.658 3.903 1.00 0.00 C ATOM 623 C ILE A 145 -21.317 -15.726 3.295 1.00 0.00 C ATOM 624 O ILE A 145 -20.866 -16.565 2.516 1.00 0.00 O ATOM 625 CB ILE A 145 -20.137 -13.573 2.845 1.00 0.00 C ATOM 626 CG1 ILE A 145 -19.317 -12.433 3.453 1.00 0.00 C ATOM 627 CG2 ILE A 145 -21.445 -13.045 2.273 1.00 0.00 C ATOM 628 CD1 ILE A 145 -18.682 -11.528 2.421 1.00 0.00 C ATOM 0 H ILE A 145 -18.515 -15.520 3.679 1.00 0.00 H new ATOM 0 HA ILE A 145 -20.918 -14.203 4.756 1.00 0.00 H new ATOM 0 HB ILE A 145 -19.560 -14.017 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -19.962 -11.837 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -18.535 -12.855 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -21.233 -12.279 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -21.995 -13.863 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -22.045 -12.614 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -18.117 -10.743 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -18.011 -12.111 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -19.460 -11.077 1.805 1.00 0.00 H new ATOM 640 N TYR A 146 -22.595 -15.687 3.656 1.00 0.00 N ATOM 641 CA TYR A 146 -23.562 -16.652 3.147 1.00 0.00 C ATOM 642 C TYR A 146 -24.980 -16.274 3.565 1.00 0.00 C ATOM 643 O TYR A 146 -25.177 -15.445 4.455 1.00 0.00 O ATOM 644 CB TYR A 146 -23.227 -18.056 3.652 1.00 0.00 C ATOM 645 CG TYR A 146 -22.807 -18.094 5.104 1.00 0.00 C ATOM 646 CD1 TYR A 146 -23.599 -17.520 6.091 1.00 0.00 C ATOM 647 CD2 TYR A 146 -21.619 -18.701 5.489 1.00 0.00 C ATOM 648 CE1 TYR A 146 -23.220 -17.551 7.419 1.00 0.00 C ATOM 649 CE2 TYR A 146 -21.232 -18.739 6.814 1.00 0.00 C ATOM 650 CZ TYR A 146 -22.036 -18.162 7.776 1.00 0.00 C ATOM 651 OH TYR A 146 -21.653 -18.196 9.097 1.00 0.00 O ATOM 0 H TYR A 146 -22.985 -14.998 4.299 1.00 0.00 H new ATOM 0 HA TYR A 146 -23.508 -16.642 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 146 -24.097 -18.698 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 146 -22.426 -18.472 3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 146 -24.527 -17.041 5.815 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -20.986 -19.152 4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 146 -23.847 -17.099 8.173 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -20.306 -19.217 7.096 1.00 0.00 H new ATOM 0 HH TYR A 146 -20.796 -18.664 9.177 1.00 0.00 H new ATOM 661 N ASP A 147 -25.964 -16.888 2.918 1.00 0.00 N ATOM 662 CA ASP A 147 -27.364 -16.619 3.222 1.00 0.00 C ATOM 663 C ASP A 147 -27.847 -17.490 4.378 1.00 0.00 C ATOM 664 O ASP A 147 -27.930 -18.711 4.254 1.00 0.00 O ATOM 665 CB ASP A 147 -28.233 -16.862 1.987 1.00 0.00 C ATOM 666 CG ASP A 147 -29.687 -16.502 2.221 1.00 0.00 C ATOM 667 OD1 ASP A 147 -30.188 -16.754 3.337 1.00 0.00 O ATOM 668 OD2 ASP A 147 -30.323 -15.967 1.289 1.00 0.00 O ATOM 0 H ASP A 147 -25.818 -17.576 2.179 1.00 0.00 H new ATOM 0 HA ASP A 147 -27.451 -15.573 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -27.846 -16.276 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -28.164 -17.911 1.698 1.00 0.00 H new ATOM 673 N ALA A 148 -28.161 -16.853 5.501 1.00 0.00 N ATOM 674 CA ALA A 148 -28.636 -17.570 6.678 1.00 0.00 C ATOM 675 C ALA A 148 -29.460 -18.791 6.282 1.00 0.00 C ATOM 676 O ALA A 148 -29.094 -19.924 6.592 1.00 0.00 O ATOM 677 CB ALA A 148 -29.454 -16.644 7.566 1.00 0.00 C ATOM 0 H ALA A 148 -28.095 -15.842 5.621 1.00 0.00 H new ATOM 0 HA ALA A 148 -27.767 -17.917 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -29.802 -17.193 8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 148 -28.835 -15.806 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -30.312 -16.269 7.008 1.00 0.00 H new ATOM 683 N GLU A 149 -30.573 -18.551 5.597 1.00 0.00 N ATOM 684 CA GLU A 149 -31.449 -19.632 5.161 1.00 0.00 C ATOM 685 C GLU A 149 -30.638 -20.860 4.758 1.00 0.00 C ATOM 686 O GLU A 149 -30.957 -21.984 5.148 1.00 0.00 O ATOM 687 CB GLU A 149 -32.317 -19.173 3.987 1.00 0.00 C ATOM 688 CG GLU A 149 -33.388 -20.176 3.593 1.00 0.00 C ATOM 689 CD GLU A 149 -34.281 -19.669 2.478 1.00 0.00 C ATOM 690 OE1 GLU A 149 -33.843 -19.692 1.309 1.00 0.00 O ATOM 691 OE2 GLU A 149 -35.419 -19.248 2.775 1.00 0.00 O ATOM 0 H GLU A 149 -30.890 -17.618 5.332 1.00 0.00 H new ATOM 0 HA GLU A 149 -32.094 -19.902 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -32.794 -18.228 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -31.677 -18.981 3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -32.912 -21.105 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -33.999 -20.410 4.465 1.00 0.00 H new ATOM 698 N LYS A 150 -29.588 -20.638 3.975 1.00 0.00 N ATOM 699 CA LYS A 150 -28.730 -21.725 3.519 1.00 0.00 C ATOM 700 C LYS A 150 -27.756 -22.145 4.615 1.00 0.00 C ATOM 701 O LYS A 150 -27.502 -23.334 4.808 1.00 0.00 O ATOM 702 CB LYS A 150 -27.956 -21.300 2.269 1.00 0.00 C ATOM 703 CG LYS A 150 -28.778 -21.362 0.993 1.00 0.00 C ATOM 704 CD LYS A 150 -28.946 -22.791 0.507 1.00 0.00 C ATOM 705 CE LYS A 150 -29.557 -22.838 -0.885 1.00 0.00 C ATOM 706 NZ LYS A 150 -28.650 -22.248 -1.909 1.00 0.00 N ATOM 0 H LYS A 150 -29.311 -19.714 3.643 1.00 0.00 H new ATOM 0 HA LYS A 150 -29.364 -22.578 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -27.591 -20.282 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -27.081 -21.940 2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -29.758 -20.919 1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -28.294 -20.768 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -27.977 -23.289 0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -29.580 -23.341 1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -29.779 -23.872 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -30.504 -22.298 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -28.934 -22.575 -2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -28.710 -21.210 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -27.672 -22.546 -1.719 1.00 0.00 H new ATOM 720 N GLN A 151 -27.215 -21.163 5.328 1.00 0.00 N ATOM 721 CA GLN A 151 -26.270 -21.433 6.405 1.00 0.00 C ATOM 722 C GLN A 151 -25.039 -22.165 5.879 1.00 0.00 C ATOM 723 O GLN A 151 -24.608 -23.166 6.451 1.00 0.00 O ATOM 724 CB GLN A 151 -26.939 -22.261 7.504 1.00 0.00 C ATOM 725 CG GLN A 151 -27.594 -21.419 8.586 1.00 0.00 C ATOM 726 CD GLN A 151 -27.591 -22.103 9.939 1.00 0.00 C ATOM 727 OE1 GLN A 151 -27.468 -23.325 10.030 1.00 0.00 O ATOM 728 NE2 GLN A 151 -27.726 -21.316 11.001 1.00 0.00 N ATOM 0 H GLN A 151 -27.415 -20.174 5.180 1.00 0.00 H new ATOM 0 HA GLN A 151 -25.952 -20.478 6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -27.692 -22.908 7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -26.194 -22.911 7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -27.073 -20.465 8.664 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -28.621 -21.198 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -27.825 -20.308 10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -27.730 -21.720 11.938 1.00 0.00 H new ATOM 737 N ARG A 152 -24.479 -21.658 4.785 1.00 0.00 N ATOM 738 CA ARG A 152 -23.299 -22.264 4.181 1.00 0.00 C ATOM 739 C ARG A 152 -22.553 -21.255 3.313 1.00 0.00 C ATOM 740 O ARG A 152 -23.151 -20.473 2.573 1.00 0.00 O ATOM 741 CB ARG A 152 -23.697 -23.479 3.340 1.00 0.00 C ATOM 742 CG ARG A 152 -22.780 -23.725 2.154 1.00 0.00 C ATOM 743 CD ARG A 152 -22.848 -25.171 1.688 1.00 0.00 C ATOM 744 NE ARG A 152 -24.053 -25.438 0.907 1.00 0.00 N ATOM 745 CZ ARG A 152 -24.209 -26.511 0.139 1.00 0.00 C ATOM 746 NH1 ARG A 152 -23.241 -27.413 0.050 1.00 0.00 N ATOM 747 NH2 ARG A 152 -25.335 -26.684 -0.542 1.00 0.00 N ATOM 0 H ARG A 152 -24.824 -20.830 4.300 1.00 0.00 H new ATOM 0 HA ARG A 152 -22.637 -22.587 4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -23.701 -24.365 3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -24.716 -23.342 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -23.059 -23.064 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -21.754 -23.478 2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -21.968 -25.400 1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -22.823 -25.833 2.554 1.00 0.00 H new ATOM 0 HE ARG A 152 -24.817 -24.764 0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -22.374 -27.284 0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -23.363 -28.236 -0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -26.082 -25.993 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -25.453 -27.508 -1.131 1.00 0.00 H new ATOM 761 N PRO A 153 -21.215 -21.269 3.405 1.00 0.00 N ATOM 762 CA PRO A 153 -20.358 -20.361 2.636 1.00 0.00 C ATOM 763 C PRO A 153 -20.357 -20.688 1.147 1.00 0.00 C ATOM 764 O PRO A 153 -19.823 -21.715 0.728 1.00 0.00 O ATOM 765 CB PRO A 153 -18.969 -20.592 3.236 1.00 0.00 C ATOM 766 CG PRO A 153 -19.022 -21.971 3.795 1.00 0.00 C ATOM 767 CD PRO A 153 -20.435 -22.173 4.267 1.00 0.00 C ATOM 0 HA PRO A 153 -20.698 -19.327 2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 153 -18.191 -20.502 2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 153 -18.746 -19.859 4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 153 -18.754 -22.709 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 153 -18.316 -22.086 4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 153 -20.752 -23.210 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 153 -20.547 -21.919 5.321 1.00 0.00 H new ATOM 775 N ARG A 154 -20.957 -19.808 0.352 1.00 0.00 N ATOM 776 CA ARG A 154 -21.026 -20.005 -1.091 1.00 0.00 C ATOM 777 C ARG A 154 -19.642 -20.291 -1.667 1.00 0.00 C ATOM 778 O ARG A 154 -19.441 -21.288 -2.360 1.00 0.00 O ATOM 779 CB ARG A 154 -21.625 -18.770 -1.767 1.00 0.00 C ATOM 780 CG ARG A 154 -22.998 -18.391 -1.235 1.00 0.00 C ATOM 781 CD ARG A 154 -23.339 -16.944 -1.556 1.00 0.00 C ATOM 782 NE ARG A 154 -24.777 -16.744 -1.717 1.00 0.00 N ATOM 783 CZ ARG A 154 -25.358 -15.549 -1.707 1.00 0.00 C ATOM 784 NH1 ARG A 154 -24.627 -14.454 -1.547 1.00 0.00 N ATOM 785 NH2 ARG A 154 -26.672 -15.448 -1.860 1.00 0.00 N ATOM 0 H ARG A 154 -21.402 -18.952 0.683 1.00 0.00 H new ATOM 0 HA ARG A 154 -21.667 -20.865 -1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -20.947 -17.927 -1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -21.698 -18.952 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -23.752 -19.048 -1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -23.026 -18.542 -0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -22.970 -16.299 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -22.827 -16.645 -2.470 1.00 0.00 H new ATOM 0 HE ARG A 154 -25.367 -17.566 -1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -23.616 -14.528 -1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -25.076 -13.538 -1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -27.237 -16.288 -1.985 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -27.117 -14.530 -1.852 1.00 0.00 H new ATOM 799 N GLY A 155 -18.690 -19.410 -1.375 1.00 0.00 N ATOM 800 CA GLY A 155 -17.338 -19.585 -1.871 1.00 0.00 C ATOM 801 C GLY A 155 -16.520 -18.312 -1.789 1.00 0.00 C ATOM 802 O GLY A 155 -15.771 -17.986 -2.710 1.00 0.00 O ATOM 0 H GLY A 155 -18.832 -18.577 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -16.843 -20.369 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -17.375 -19.923 -2.907 1.00 0.00 H new ATOM 806 N PHE A 156 -16.664 -17.589 -0.683 1.00 0.00 N ATOM 807 CA PHE A 156 -15.934 -16.342 -0.484 1.00 0.00 C ATOM 808 C PHE A 156 -16.102 -15.836 0.945 1.00 0.00 C ATOM 809 O PHE A 156 -17.030 -16.230 1.650 1.00 0.00 O ATOM 810 CB PHE A 156 -16.418 -15.280 -1.474 1.00 0.00 C ATOM 811 CG PHE A 156 -17.906 -15.076 -1.454 1.00 0.00 C ATOM 812 CD1 PHE A 156 -18.482 -14.168 -0.580 1.00 0.00 C ATOM 813 CD2 PHE A 156 -18.728 -15.791 -2.309 1.00 0.00 C ATOM 814 CE1 PHE A 156 -19.851 -13.977 -0.559 1.00 0.00 C ATOM 815 CE2 PHE A 156 -20.097 -15.604 -2.293 1.00 0.00 C ATOM 816 CZ PHE A 156 -20.659 -14.697 -1.416 1.00 0.00 C ATOM 0 H PHE A 156 -17.279 -17.845 0.089 1.00 0.00 H new ATOM 0 HA PHE A 156 -14.876 -16.537 -0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -15.926 -14.334 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -16.112 -15.566 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -17.854 -13.603 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -18.294 -16.503 -2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -20.288 -13.266 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -20.727 -16.167 -2.966 1.00 0.00 H new ATOM 0 HZ PHE A 156 -21.729 -14.551 -1.401 1.00 0.00 H new ATOM 826 N GLY A 157 -15.195 -14.959 1.366 1.00 0.00 N ATOM 827 CA GLY A 157 -15.259 -14.413 2.709 1.00 0.00 C ATOM 828 C GLY A 157 -13.971 -13.727 3.118 1.00 0.00 C ATOM 829 O GLY A 157 -13.173 -13.330 2.268 1.00 0.00 O ATOM 0 H GLY A 157 -14.418 -14.617 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 157 -16.082 -13.700 2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 157 -15.480 -15.215 3.414 1.00 0.00 H new ATOM 833 N PHE A 158 -13.767 -13.584 4.424 1.00 0.00 N ATOM 834 CA PHE A 158 -12.567 -12.938 4.944 1.00 0.00 C ATOM 835 C PHE A 158 -12.018 -13.698 6.147 1.00 0.00 C ATOM 836 O PHE A 158 -12.728 -14.487 6.773 1.00 0.00 O ATOM 837 CB PHE A 158 -12.871 -11.490 5.336 1.00 0.00 C ATOM 838 CG PHE A 158 -13.492 -10.687 4.229 1.00 0.00 C ATOM 839 CD1 PHE A 158 -14.808 -10.902 3.853 1.00 0.00 C ATOM 840 CD2 PHE A 158 -12.760 -9.716 3.566 1.00 0.00 C ATOM 841 CE1 PHE A 158 -15.382 -10.165 2.835 1.00 0.00 C ATOM 842 CE2 PHE A 158 -13.328 -8.975 2.546 1.00 0.00 C ATOM 843 CZ PHE A 158 -14.641 -9.199 2.181 1.00 0.00 C ATOM 0 H PHE A 158 -14.417 -13.907 5.141 1.00 0.00 H new ATOM 0 HA PHE A 158 -11.812 -12.944 4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -13.541 -11.488 6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -11.947 -11.006 5.651 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -15.392 -11.655 4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -11.733 -9.535 3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -16.408 -10.344 2.551 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -12.746 -8.222 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 158 -15.088 -8.620 1.386 1.00 0.00 H new ATOM 853 N ILE A 159 -10.751 -13.456 6.465 1.00 0.00 N ATOM 854 CA ILE A 159 -10.107 -14.118 7.593 1.00 0.00 C ATOM 855 C ILE A 159 -9.059 -13.214 8.234 1.00 0.00 C ATOM 856 O ILE A 159 -8.328 -12.504 7.543 1.00 0.00 O ATOM 857 CB ILE A 159 -9.439 -15.437 7.165 1.00 0.00 C ATOM 858 CG1 ILE A 159 -10.448 -16.336 6.446 1.00 0.00 C ATOM 859 CG2 ILE A 159 -8.853 -16.151 8.375 1.00 0.00 C ATOM 860 CD1 ILE A 159 -9.944 -17.743 6.213 1.00 0.00 C ATOM 0 H ILE A 159 -10.150 -12.807 5.958 1.00 0.00 H new ATOM 0 HA ILE A 159 -10.889 -14.337 8.320 1.00 0.00 H new ATOM 0 HB ILE A 159 -8.628 -15.209 6.474 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -11.366 -16.380 7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -10.704 -15.887 5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.384 -17.082 8.056 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -8.107 -15.512 8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -9.648 -16.371 9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -10.710 -18.324 5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -9.043 -17.710 5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -9.715 -18.211 7.171 1.00 0.00 H new ATOM 872 N THR A 160 -8.989 -13.247 9.561 1.00 0.00 N ATOM 873 CA THR A 160 -8.030 -12.432 10.297 1.00 0.00 C ATOM 874 C THR A 160 -6.902 -13.287 10.862 1.00 0.00 C ATOM 875 O THR A 160 -7.120 -14.427 11.275 1.00 0.00 O ATOM 876 CB THR A 160 -8.709 -11.670 11.450 1.00 0.00 C ATOM 877 OG1 THR A 160 -9.864 -10.976 10.966 1.00 0.00 O ATOM 878 CG2 THR A 160 -7.745 -10.679 12.084 1.00 0.00 C ATOM 0 H THR A 160 -9.585 -13.830 10.148 1.00 0.00 H new ATOM 0 HA THR A 160 -7.617 -11.713 9.590 1.00 0.00 H new ATOM 0 HB THR A 160 -9.012 -12.394 12.206 1.00 0.00 H new ATOM 0 HG1 THR A 160 -10.291 -10.495 11.706 1.00 0.00 H new ATOM 0 HG21 THR A 160 -8.246 -10.152 12.896 1.00 0.00 H new ATOM 0 HG22 THR A 160 -6.880 -11.213 12.477 1.00 0.00 H new ATOM 0 HG23 THR A 160 -7.416 -9.960 11.333 1.00 0.00 H new ATOM 886 N PHE A 161 -5.696 -12.731 10.880 1.00 0.00 N ATOM 887 CA PHE A 161 -4.532 -13.443 11.395 1.00 0.00 C ATOM 888 C PHE A 161 -4.012 -12.785 12.669 1.00 0.00 C ATOM 889 O PHE A 161 -4.408 -11.671 13.010 1.00 0.00 O ATOM 890 CB PHE A 161 -3.425 -13.485 10.340 1.00 0.00 C ATOM 891 CG PHE A 161 -3.723 -14.410 9.195 1.00 0.00 C ATOM 892 CD1 PHE A 161 -4.604 -14.034 8.195 1.00 0.00 C ATOM 893 CD2 PHE A 161 -3.120 -15.655 9.118 1.00 0.00 C ATOM 894 CE1 PHE A 161 -4.881 -14.883 7.140 1.00 0.00 C ATOM 895 CE2 PHE A 161 -3.392 -16.509 8.066 1.00 0.00 C ATOM 896 CZ PHE A 161 -4.273 -16.122 7.075 1.00 0.00 C ATOM 0 H PHE A 161 -5.498 -11.789 10.544 1.00 0.00 H new ATOM 0 HA PHE A 161 -4.836 -14.462 11.632 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.266 -12.479 9.952 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -2.494 -13.795 10.814 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -5.080 -13.066 8.240 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.429 -15.962 9.889 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -5.572 -14.578 6.368 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -2.916 -17.478 8.019 1.00 0.00 H new ATOM 0 HZ PHE A 161 -4.486 -16.787 6.251 1.00 0.00 H new ATOM 906 N GLU A 162 -3.123 -13.483 13.369 1.00 0.00 N ATOM 907 CA GLU A 162 -2.550 -12.967 14.606 1.00 0.00 C ATOM 908 C GLU A 162 -1.597 -11.809 14.323 1.00 0.00 C ATOM 909 O GLU A 162 -1.611 -10.795 15.020 1.00 0.00 O ATOM 910 CB GLU A 162 -1.811 -14.078 15.354 1.00 0.00 C ATOM 911 CG GLU A 162 -1.207 -13.627 16.674 1.00 0.00 C ATOM 912 CD GLU A 162 -0.011 -14.463 17.085 1.00 0.00 C ATOM 913 OE1 GLU A 162 1.045 -14.350 16.428 1.00 0.00 O ATOM 914 OE2 GLU A 162 -0.131 -15.231 18.062 1.00 0.00 O ATOM 0 H GLU A 162 -2.784 -14.407 13.100 1.00 0.00 H new ATOM 0 HA GLU A 162 -3.366 -12.600 15.228 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -2.502 -14.899 15.542 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -1.018 -14.469 14.716 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -0.905 -12.583 16.593 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -1.967 -13.679 17.454 1.00 0.00 H new ATOM 921 N ASP A 163 -0.770 -11.969 13.295 1.00 0.00 N ATOM 922 CA ASP A 163 0.190 -10.938 12.918 1.00 0.00 C ATOM 923 C ASP A 163 -0.026 -10.496 11.474 1.00 0.00 C ATOM 924 O ASP A 163 -0.308 -11.316 10.601 1.00 0.00 O ATOM 925 CB ASP A 163 1.619 -11.451 13.099 1.00 0.00 C ATOM 926 CG ASP A 163 2.164 -11.169 14.486 1.00 0.00 C ATOM 927 OD1 ASP A 163 2.278 -9.979 14.849 1.00 0.00 O ATOM 928 OD2 ASP A 163 2.475 -12.138 15.209 1.00 0.00 O ATOM 0 H ASP A 163 -0.745 -12.803 12.708 1.00 0.00 H new ATOM 0 HA ASP A 163 0.036 -10.078 13.569 1.00 0.00 H new ATOM 0 HB2 ASP A 163 1.643 -12.525 12.914 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.266 -10.985 12.356 1.00 0.00 H new ATOM 933 N GLU A 164 0.107 -9.196 11.232 1.00 0.00 N ATOM 934 CA GLU A 164 -0.076 -8.646 9.894 1.00 0.00 C ATOM 935 C GLU A 164 0.734 -9.433 8.867 1.00 0.00 C ATOM 936 O GLU A 164 0.228 -9.788 7.803 1.00 0.00 O ATOM 937 CB GLU A 164 0.335 -7.173 9.863 1.00 0.00 C ATOM 938 CG GLU A 164 0.139 -6.514 8.508 1.00 0.00 C ATOM 939 CD GLU A 164 -1.296 -6.082 8.271 1.00 0.00 C ATOM 940 OE1 GLU A 164 -1.794 -5.235 9.042 1.00 0.00 O ATOM 941 OE2 GLU A 164 -1.919 -6.591 7.317 1.00 0.00 O ATOM 0 H GLU A 164 0.341 -8.504 11.944 1.00 0.00 H new ATOM 0 HA GLU A 164 -1.132 -8.726 9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -0.242 -6.628 10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.384 -7.091 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 164 0.793 -5.645 8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 164 0.440 -7.208 7.724 1.00 0.00 H new ATOM 948 N GLN A 165 1.994 -9.701 9.195 1.00 0.00 N ATOM 949 CA GLN A 165 2.874 -10.444 8.302 1.00 0.00 C ATOM 950 C GLN A 165 2.115 -11.563 7.597 1.00 0.00 C ATOM 951 O GLN A 165 2.157 -11.680 6.372 1.00 0.00 O ATOM 952 CB GLN A 165 4.055 -11.025 9.081 1.00 0.00 C ATOM 953 CG GLN A 165 5.318 -11.175 8.250 1.00 0.00 C ATOM 954 CD GLN A 165 6.508 -11.629 9.072 1.00 0.00 C ATOM 955 OE1 GLN A 165 7.192 -10.816 9.697 1.00 0.00 O ATOM 956 NE2 GLN A 165 6.763 -12.932 9.078 1.00 0.00 N ATOM 0 H GLN A 165 2.428 -9.414 10.073 1.00 0.00 H new ATOM 0 HA GLN A 165 3.251 -9.753 7.547 1.00 0.00 H new ATOM 0 HB2 GLN A 165 4.267 -10.383 9.936 1.00 0.00 H new ATOM 0 HB3 GLN A 165 3.773 -12.000 9.478 1.00 0.00 H new ATOM 0 HG2 GLN A 165 5.139 -11.893 7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 165 5.551 -10.222 7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 165 6.171 -13.570 8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 165 7.551 -13.295 9.614 1.00 0.00 H new ATOM 965 N SER A 166 1.422 -12.385 8.378 1.00 0.00 N ATOM 966 CA SER A 166 0.656 -13.498 7.829 1.00 0.00 C ATOM 967 C SER A 166 -0.137 -13.059 6.602 1.00 0.00 C ATOM 968 O SER A 166 0.010 -13.624 5.518 1.00 0.00 O ATOM 969 CB SER A 166 -0.292 -14.064 8.888 1.00 0.00 C ATOM 970 OG SER A 166 0.422 -14.501 10.031 1.00 0.00 O ATOM 0 H SER A 166 1.375 -12.301 9.393 1.00 0.00 H new ATOM 0 HA SER A 166 1.358 -14.276 7.527 1.00 0.00 H new ATOM 0 HB2 SER A 166 -1.016 -13.302 9.177 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.856 -14.897 8.468 1.00 0.00 H new ATOM 0 HG SER A 166 -0.205 -14.661 10.767 1.00 0.00 H new ATOM 976 N VAL A 167 -0.979 -12.046 6.781 1.00 0.00 N ATOM 977 CA VAL A 167 -1.795 -11.529 5.689 1.00 0.00 C ATOM 978 C VAL A 167 -1.023 -11.534 4.375 1.00 0.00 C ATOM 979 O VAL A 167 -1.436 -12.167 3.403 1.00 0.00 O ATOM 980 CB VAL A 167 -2.281 -10.096 5.981 1.00 0.00 C ATOM 981 CG1 VAL A 167 -2.825 -9.449 4.717 1.00 0.00 C ATOM 982 CG2 VAL A 167 -3.331 -10.104 7.081 1.00 0.00 C ATOM 0 H VAL A 167 -1.114 -11.567 7.672 1.00 0.00 H new ATOM 0 HA VAL A 167 -2.659 -12.187 5.601 1.00 0.00 H new ATOM 0 HB VAL A 167 -1.432 -9.506 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -3.163 -8.438 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -2.040 -9.409 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -3.662 -10.036 4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -3.663 -9.084 7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -4.182 -10.709 6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -2.902 -10.524 7.991 1.00 0.00 H new ATOM 992 N ASP A 168 0.100 -10.826 4.352 1.00 0.00 N ATOM 993 CA ASP A 168 0.933 -10.749 3.157 1.00 0.00 C ATOM 994 C ASP A 168 1.225 -12.143 2.609 1.00 0.00 C ATOM 995 O ASP A 168 0.852 -12.466 1.482 1.00 0.00 O ATOM 996 CB ASP A 168 2.243 -10.025 3.468 1.00 0.00 C ATOM 997 CG ASP A 168 3.096 -9.815 2.232 1.00 0.00 C ATOM 998 OD1 ASP A 168 2.971 -10.616 1.282 1.00 0.00 O ATOM 999 OD2 ASP A 168 3.886 -8.849 2.215 1.00 0.00 O ATOM 0 H ASP A 168 0.455 -10.296 5.148 1.00 0.00 H new ATOM 0 HA ASP A 168 0.388 -10.186 2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 168 2.022 -9.059 3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 168 2.807 -10.600 4.202 1.00 0.00 H new ATOM 1004 N GLN A 169 1.894 -12.962 3.414 1.00 0.00 N ATOM 1005 CA GLN A 169 2.238 -14.319 3.007 1.00 0.00 C ATOM 1006 C GLN A 169 1.132 -14.927 2.150 1.00 0.00 C ATOM 1007 O GLN A 169 1.395 -15.478 1.081 1.00 0.00 O ATOM 1008 CB GLN A 169 2.485 -15.195 4.237 1.00 0.00 C ATOM 1009 CG GLN A 169 3.677 -14.752 5.070 1.00 0.00 C ATOM 1010 CD GLN A 169 3.807 -15.532 6.363 1.00 0.00 C ATOM 1011 OE1 GLN A 169 3.489 -16.720 6.421 1.00 0.00 O ATOM 1012 NE2 GLN A 169 4.276 -14.865 7.412 1.00 0.00 N ATOM 0 H GLN A 169 2.208 -12.710 4.351 1.00 0.00 H new ATOM 0 HA GLN A 169 3.150 -14.273 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 169 1.592 -15.188 4.863 1.00 0.00 H new ATOM 0 HB3 GLN A 169 2.640 -16.224 3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 169 4.589 -14.871 4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 169 3.581 -13.690 5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 169 4.528 -13.881 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 169 4.385 -15.337 8.310 1.00 0.00 H new ATOM 1021 N ALA A 170 -0.104 -14.822 2.625 1.00 0.00 N ATOM 1022 CA ALA A 170 -1.249 -15.359 1.901 1.00 0.00 C ATOM 1023 C ALA A 170 -1.539 -14.541 0.647 1.00 0.00 C ATOM 1024 O ALA A 170 -1.544 -15.071 -0.465 1.00 0.00 O ATOM 1025 CB ALA A 170 -2.474 -15.397 2.803 1.00 0.00 C ATOM 0 H ALA A 170 -0.338 -14.370 3.509 1.00 0.00 H new ATOM 0 HA ALA A 170 -1.007 -16.376 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 170 -3.322 -15.800 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 170 -2.271 -16.030 3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 170 -2.709 -14.388 3.141 1.00 0.00 H new ATOM 1031 N VAL A 171 -1.780 -13.247 0.832 1.00 0.00 N ATOM 1032 CA VAL A 171 -2.070 -12.356 -0.285 1.00 0.00 C ATOM 1033 C VAL A 171 -1.075 -12.558 -1.422 1.00 0.00 C ATOM 1034 O VAL A 171 -1.455 -12.912 -2.537 1.00 0.00 O ATOM 1035 CB VAL A 171 -2.040 -10.880 0.153 1.00 0.00 C ATOM 1036 CG1 VAL A 171 -2.171 -9.962 -1.053 1.00 0.00 C ATOM 1037 CG2 VAL A 171 -3.139 -10.602 1.167 1.00 0.00 C ATOM 0 H VAL A 171 -1.780 -12.792 1.745 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.072 -12.603 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 171 -1.080 -10.680 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -2.148 -8.923 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -1.344 -10.144 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -3.115 -10.161 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -3.102 -9.554 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -4.109 -10.819 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -2.994 -11.234 2.043 1.00 0.00 H new ATOM 1047 N ASN A 172 0.202 -12.331 -1.131 1.00 0.00 N ATOM 1048 CA ASN A 172 1.253 -12.489 -2.129 1.00 0.00 C ATOM 1049 C ASN A 172 0.937 -13.644 -3.075 1.00 0.00 C ATOM 1050 O ASN A 172 0.794 -13.450 -4.281 1.00 0.00 O ATOM 1051 CB ASN A 172 2.602 -12.727 -1.448 1.00 0.00 C ATOM 1052 CG ASN A 172 3.767 -12.224 -2.278 1.00 0.00 C ATOM 1053 OD1 ASN A 172 3.882 -11.027 -2.544 1.00 0.00 O ATOM 1054 ND2 ASN A 172 4.637 -13.137 -2.691 1.00 0.00 N ATOM 0 H ASN A 172 0.534 -12.037 -0.212 1.00 0.00 H new ATOM 0 HA ASN A 172 1.306 -11.570 -2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 172 2.609 -12.229 -0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 172 2.727 -13.793 -1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 172 5.441 -12.858 -3.253 1.00 0.00 H new ATOM 0 HD22 ASN A 172 4.502 -14.118 -2.446 1.00 0.00 H new ATOM 1061 N MET A 173 0.829 -14.845 -2.516 1.00 0.00 N ATOM 1062 CA MET A 173 0.528 -16.031 -3.309 1.00 0.00 C ATOM 1063 C MET A 173 -0.697 -15.801 -4.189 1.00 0.00 C ATOM 1064 O MET A 173 -0.722 -16.203 -5.353 1.00 0.00 O ATOM 1065 CB MET A 173 0.294 -17.236 -2.396 1.00 0.00 C ATOM 1066 CG MET A 173 1.577 -17.851 -1.860 1.00 0.00 C ATOM 1067 SD MET A 173 2.236 -19.134 -2.941 1.00 0.00 S ATOM 1068 CE MET A 173 0.927 -20.353 -2.856 1.00 0.00 C ATOM 0 H MET A 173 0.945 -15.022 -1.518 1.00 0.00 H new ATOM 0 HA MET A 173 1.384 -16.233 -3.953 1.00 0.00 H new ATOM 0 HB2 MET A 173 -0.331 -16.930 -1.557 1.00 0.00 H new ATOM 0 HB3 MET A 173 -0.261 -17.996 -2.946 1.00 0.00 H new ATOM 0 HG2 MET A 173 2.325 -17.068 -1.733 1.00 0.00 H new ATOM 0 HG3 MET A 173 1.388 -18.274 -0.873 1.00 0.00 H new ATOM 0 HE1 MET A 173 1.349 -21.349 -2.988 1.00 0.00 H new ATOM 0 HE2 MET A 173 0.436 -20.292 -1.885 1.00 0.00 H new ATOM 0 HE3 MET A 173 0.199 -20.160 -3.644 1.00 0.00 H new ATOM 1078 N HIS A 174 -1.711 -15.151 -3.626 1.00 0.00 N ATOM 1079 CA HIS A 174 -2.939 -14.867 -4.361 1.00 0.00 C ATOM 1080 C HIS A 174 -3.550 -16.151 -4.914 1.00 0.00 C ATOM 1081 O HIS A 174 -4.264 -16.128 -5.917 1.00 0.00 O ATOM 1082 CB HIS A 174 -2.661 -13.887 -5.501 1.00 0.00 C ATOM 1083 CG HIS A 174 -3.867 -13.581 -6.335 1.00 0.00 C ATOM 1084 ND1 HIS A 174 -3.813 -13.409 -7.702 1.00 0.00 N ATOM 1085 CD2 HIS A 174 -5.164 -13.417 -5.988 1.00 0.00 C ATOM 1086 CE1 HIS A 174 -5.025 -13.151 -8.159 1.00 0.00 C ATOM 1087 NE2 HIS A 174 -5.864 -13.151 -7.139 1.00 0.00 N ATOM 0 H HIS A 174 -1.707 -14.811 -2.664 1.00 0.00 H new ATOM 0 HA HIS A 174 -3.651 -14.415 -3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -2.273 -12.958 -5.084 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -1.881 -14.299 -6.142 1.00 0.00 H new ATOM 0 HD1 HIS A 174 -2.969 -13.471 -8.271 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -5.573 -13.483 -4.991 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -5.286 -12.971 -9.191 1.00 0.00 H new ATOM 1095 N PHE A 175 -3.264 -17.268 -4.255 1.00 0.00 N ATOM 1096 CA PHE A 175 -3.784 -18.562 -4.683 1.00 0.00 C ATOM 1097 C PHE A 175 -3.474 -19.641 -3.649 1.00 0.00 C ATOM 1098 O PHE A 175 -2.452 -19.585 -2.964 1.00 0.00 O ATOM 1099 CB PHE A 175 -3.191 -18.952 -6.038 1.00 0.00 C ATOM 1100 CG PHE A 175 -3.958 -18.404 -7.208 1.00 0.00 C ATOM 1101 CD1 PHE A 175 -5.338 -18.510 -7.258 1.00 0.00 C ATOM 1102 CD2 PHE A 175 -3.298 -17.784 -8.256 1.00 0.00 C ATOM 1103 CE1 PHE A 175 -6.046 -18.008 -8.334 1.00 0.00 C ATOM 1104 CE2 PHE A 175 -4.001 -17.280 -9.335 1.00 0.00 C ATOM 1105 CZ PHE A 175 -5.377 -17.391 -9.373 1.00 0.00 C ATOM 0 H PHE A 175 -2.675 -17.304 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 175 -4.866 -18.476 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 175 -2.161 -18.598 -6.091 1.00 0.00 H new ATOM 0 HB3 PHE A 175 -3.158 -20.039 -6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 175 -5.867 -18.990 -6.448 1.00 0.00 H new ATOM 0 HD2 PHE A 175 -2.222 -17.693 -8.230 1.00 0.00 H new ATOM 0 HE1 PHE A 175 -7.122 -18.098 -8.362 1.00 0.00 H new ATOM 0 HE2 PHE A 175 -3.475 -16.800 -10.147 1.00 0.00 H new ATOM 0 HZ PHE A 175 -5.929 -16.996 -10.213 1.00 0.00 H new ATOM 1115 N HIS A 176 -4.363 -20.624 -3.543 1.00 0.00 N ATOM 1116 CA HIS A 176 -4.185 -21.717 -2.594 1.00 0.00 C ATOM 1117 C HIS A 176 -4.941 -22.961 -3.050 1.00 0.00 C ATOM 1118 O HIS A 176 -5.910 -22.869 -3.803 1.00 0.00 O ATOM 1119 CB HIS A 176 -4.663 -21.296 -1.204 1.00 0.00 C ATOM 1120 CG HIS A 176 -4.062 -20.009 -0.728 1.00 0.00 C ATOM 1121 ND1 HIS A 176 -2.948 -19.953 0.082 1.00 0.00 N ATOM 1122 CD2 HIS A 176 -4.427 -18.725 -0.953 1.00 0.00 C ATOM 1123 CE1 HIS A 176 -2.654 -18.690 0.335 1.00 0.00 C ATOM 1124 NE2 HIS A 176 -3.536 -17.925 -0.282 1.00 0.00 N ATOM 0 H HIS A 176 -5.214 -20.686 -4.103 1.00 0.00 H new ATOM 0 HA HIS A 176 -3.123 -21.956 -2.548 1.00 0.00 H new ATOM 0 HB2 HIS A 176 -5.748 -21.198 -1.216 1.00 0.00 H new ATOM 0 HB3 HIS A 176 -4.422 -22.085 -0.492 1.00 0.00 H new ATOM 0 HD2 HIS A 176 -5.264 -18.392 -1.549 1.00 0.00 H new ATOM 0 HE1 HIS A 176 -1.832 -18.342 0.943 1.00 0.00 H new ATOM 0 HE2 HIS A 176 -3.552 -16.905 -0.263 1.00 0.00 H new ATOM 1132 N ASP A 177 -4.490 -24.123 -2.590 1.00 0.00 N ATOM 1133 CA ASP A 177 -5.124 -25.386 -2.950 1.00 0.00 C ATOM 1134 C ASP A 177 -5.797 -26.021 -1.738 1.00 0.00 C ATOM 1135 O ASP A 177 -5.204 -26.855 -1.053 1.00 0.00 O ATOM 1136 CB ASP A 177 -4.092 -26.349 -3.539 1.00 0.00 C ATOM 1137 CG ASP A 177 -3.545 -25.869 -4.869 1.00 0.00 C ATOM 1138 OD1 ASP A 177 -2.822 -24.852 -4.881 1.00 0.00 O ATOM 1139 OD2 ASP A 177 -3.842 -26.511 -5.899 1.00 0.00 O ATOM 0 H ASP A 177 -3.688 -24.216 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 177 -5.887 -25.180 -3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -3.270 -26.471 -2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -4.548 -27.330 -3.670 1.00 0.00 H new ATOM 1144 N ILE A 178 -7.037 -25.621 -1.478 1.00 0.00 N ATOM 1145 CA ILE A 178 -7.790 -26.151 -0.349 1.00 0.00 C ATOM 1146 C ILE A 178 -8.708 -27.288 -0.785 1.00 0.00 C ATOM 1147 O ILE A 178 -9.511 -27.132 -1.705 1.00 0.00 O ATOM 1148 CB ILE A 178 -8.635 -25.056 0.329 1.00 0.00 C ATOM 1149 CG1 ILE A 178 -7.733 -23.933 0.846 1.00 0.00 C ATOM 1150 CG2 ILE A 178 -9.457 -25.647 1.464 1.00 0.00 C ATOM 1151 CD1 ILE A 178 -8.497 -22.765 1.430 1.00 0.00 C ATOM 0 H ILE A 178 -7.542 -24.931 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 178 -7.060 -26.530 0.366 1.00 0.00 H new ATOM 0 HB ILE A 178 -9.319 -24.637 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 178 -7.064 -24.336 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 178 -7.107 -23.575 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 178 -10.048 -24.860 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 178 -10.122 -26.415 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 178 -8.790 -26.090 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 178 -7.794 -22.007 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 178 -9.146 -22.336 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 178 -9.102 -23.109 2.269 1.00 0.00 H new ATOM 1163 N MET A 179 -8.585 -28.430 -0.118 1.00 0.00 N ATOM 1164 CA MET A 179 -9.406 -29.593 -0.435 1.00 0.00 C ATOM 1165 C MET A 179 -9.601 -29.725 -1.942 1.00 0.00 C ATOM 1166 O MET A 179 -10.720 -29.912 -2.419 1.00 0.00 O ATOM 1167 CB MET A 179 -10.765 -29.489 0.260 1.00 0.00 C ATOM 1168 CG MET A 179 -11.504 -28.195 -0.041 1.00 0.00 C ATOM 1169 SD MET A 179 -13.013 -28.015 0.930 1.00 0.00 S ATOM 1170 CE MET A 179 -13.256 -29.698 1.493 1.00 0.00 C ATOM 0 H MET A 179 -7.925 -28.575 0.646 1.00 0.00 H new ATOM 0 HA MET A 179 -8.889 -30.482 -0.074 1.00 0.00 H new ATOM 0 HB2 MET A 179 -11.385 -30.332 -0.045 1.00 0.00 H new ATOM 0 HB3 MET A 179 -10.620 -29.573 1.337 1.00 0.00 H new ATOM 0 HG2 MET A 179 -10.845 -27.350 0.159 1.00 0.00 H new ATOM 0 HG3 MET A 179 -11.753 -28.162 -1.102 1.00 0.00 H new ATOM 0 HE1 MET A 179 -14.134 -29.743 2.137 1.00 0.00 H new ATOM 0 HE2 MET A 179 -13.403 -30.352 0.633 1.00 0.00 H new ATOM 0 HE3 MET A 179 -12.379 -30.025 2.051 1.00 0.00 H new ATOM 1180 N GLY A 180 -8.505 -29.627 -2.688 1.00 0.00 N ATOM 1181 CA GLY A 180 -8.578 -29.738 -4.133 1.00 0.00 C ATOM 1182 C GLY A 180 -9.395 -28.626 -4.759 1.00 0.00 C ATOM 1183 O GLY A 180 -10.475 -28.867 -5.299 1.00 0.00 O ATOM 0 H GLY A 180 -7.567 -29.473 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 180 -7.570 -29.721 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 180 -9.016 -30.700 -4.399 1.00 0.00 H new ATOM 1187 N LYS A 181 -8.880 -27.403 -4.687 1.00 0.00 N ATOM 1188 CA LYS A 181 -9.569 -26.248 -5.250 1.00 0.00 C ATOM 1189 C LYS A 181 -8.709 -24.993 -5.137 1.00 0.00 C ATOM 1190 O LYS A 181 -8.005 -24.798 -4.146 1.00 0.00 O ATOM 1191 CB LYS A 181 -10.907 -26.029 -4.540 1.00 0.00 C ATOM 1192 CG LYS A 181 -11.715 -24.875 -5.108 1.00 0.00 C ATOM 1193 CD LYS A 181 -12.272 -25.208 -6.482 1.00 0.00 C ATOM 1194 CE LYS A 181 -13.462 -26.150 -6.388 1.00 0.00 C ATOM 1195 NZ LYS A 181 -13.036 -27.565 -6.210 1.00 0.00 N ATOM 0 H LYS A 181 -7.987 -27.186 -4.244 1.00 0.00 H new ATOM 0 HA LYS A 181 -9.754 -26.446 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 181 -11.498 -26.943 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 181 -10.721 -25.846 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 181 -12.534 -24.635 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 181 -11.086 -23.987 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 181 -12.573 -24.290 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 181 -11.492 -25.665 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 181 -14.095 -25.853 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 181 -14.066 -26.063 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 181 -13.589 -28.176 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 181 -12.025 -27.655 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 181 -13.195 -27.854 -5.224 1.00 0.00 H new ATOM 1209 N LYS A 182 -8.772 -24.144 -6.156 1.00 0.00 N ATOM 1210 CA LYS A 182 -8.002 -22.906 -6.170 1.00 0.00 C ATOM 1211 C LYS A 182 -8.745 -21.795 -5.434 1.00 0.00 C ATOM 1212 O LYS A 182 -9.681 -21.201 -5.969 1.00 0.00 O ATOM 1213 CB LYS A 182 -7.716 -22.475 -7.610 1.00 0.00 C ATOM 1214 CG LYS A 182 -6.416 -21.706 -7.768 1.00 0.00 C ATOM 1215 CD LYS A 182 -5.213 -22.566 -7.422 1.00 0.00 C ATOM 1216 CE LYS A 182 -3.948 -22.053 -8.094 1.00 0.00 C ATOM 1217 NZ LYS A 182 -3.764 -22.639 -9.450 1.00 0.00 N ATOM 0 H LYS A 182 -9.349 -24.291 -6.984 1.00 0.00 H new ATOM 0 HA LYS A 182 -7.057 -23.089 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -7.684 -23.360 -8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -8.540 -21.856 -7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -6.326 -21.349 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -6.432 -20.826 -7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -5.072 -22.579 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -5.399 -23.595 -7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -3.993 -20.967 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 182 -3.084 -22.294 -7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 -2.891 -22.265 -9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -3.696 -23.674 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -4.576 -22.388 -10.050 1.00 0.00 H new ATOM 1231 N VAL A 183 -8.320 -21.518 -4.206 1.00 0.00 N ATOM 1232 CA VAL A 183 -8.943 -20.476 -3.398 1.00 0.00 C ATOM 1233 C VAL A 183 -8.191 -19.156 -3.528 1.00 0.00 C ATOM 1234 O VAL A 183 -7.021 -19.059 -3.158 1.00 0.00 O ATOM 1235 CB VAL A 183 -9.001 -20.878 -1.912 1.00 0.00 C ATOM 1236 CG1 VAL A 183 -10.020 -20.028 -1.168 1.00 0.00 C ATOM 1237 CG2 VAL A 183 -9.325 -22.357 -1.773 1.00 0.00 C ATOM 0 H VAL A 183 -7.547 -22.001 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 183 -9.959 -20.350 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 183 -8.022 -20.701 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -10.047 -20.326 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -9.739 -18.977 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -11.006 -20.170 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 183 -9.362 -22.624 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 183 -10.291 -22.563 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 183 -8.554 -22.947 -2.269 1.00 0.00 H new ATOM 1247 N GLU A 184 -8.871 -18.143 -4.055 1.00 0.00 N ATOM 1248 CA GLU A 184 -8.266 -16.828 -4.233 1.00 0.00 C ATOM 1249 C GLU A 184 -8.105 -16.117 -2.893 1.00 0.00 C ATOM 1250 O GLU A 184 -8.738 -16.484 -1.902 1.00 0.00 O ATOM 1251 CB GLU A 184 -9.116 -15.975 -5.177 1.00 0.00 C ATOM 1252 CG GLU A 184 -8.312 -14.952 -5.962 1.00 0.00 C ATOM 1253 CD GLU A 184 -9.189 -14.033 -6.791 1.00 0.00 C ATOM 1254 OE1 GLU A 184 -10.249 -13.609 -6.286 1.00 0.00 O ATOM 1255 OE2 GLU A 184 -8.813 -13.738 -7.945 1.00 0.00 O ATOM 0 H GLU A 184 -9.840 -18.207 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 184 -7.278 -16.967 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 184 -9.636 -16.630 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 184 -9.880 -15.457 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 184 -7.717 -14.355 -5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 184 -7.613 -15.471 -6.618 1.00 0.00 H new ATOM 1262 N VAL A 185 -7.253 -15.097 -2.869 1.00 0.00 N ATOM 1263 CA VAL A 185 -7.009 -14.333 -1.652 1.00 0.00 C ATOM 1264 C VAL A 185 -6.384 -12.979 -1.969 1.00 0.00 C ATOM 1265 O VAL A 185 -5.412 -12.891 -2.719 1.00 0.00 O ATOM 1266 CB VAL A 185 -6.086 -15.098 -0.685 1.00 0.00 C ATOM 1267 CG1 VAL A 185 -5.708 -14.221 0.499 1.00 0.00 C ATOM 1268 CG2 VAL A 185 -6.753 -16.382 -0.216 1.00 0.00 C ATOM 0 H VAL A 185 -6.720 -14.781 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 185 -7.977 -14.180 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 185 -5.172 -15.363 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -5.056 -14.779 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -5.187 -13.333 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -6.610 -13.923 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -6.087 -16.910 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -7.683 -16.142 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -6.967 -17.016 -1.076 1.00 0.00 H new ATOM 1278 N LYS A 186 -6.948 -11.924 -1.391 1.00 0.00 N ATOM 1279 CA LYS A 186 -6.446 -10.572 -1.609 1.00 0.00 C ATOM 1280 C LYS A 186 -6.408 -9.788 -0.302 1.00 0.00 C ATOM 1281 O LYS A 186 -7.287 -9.936 0.547 1.00 0.00 O ATOM 1282 CB LYS A 186 -7.320 -9.840 -2.630 1.00 0.00 C ATOM 1283 CG LYS A 186 -7.494 -10.597 -3.936 1.00 0.00 C ATOM 1284 CD LYS A 186 -7.787 -9.656 -5.092 1.00 0.00 C ATOM 1285 CE LYS A 186 -7.348 -10.251 -6.420 1.00 0.00 C ATOM 1286 NZ LYS A 186 -5.905 -10.001 -6.690 1.00 0.00 N ATOM 0 H LYS A 186 -7.753 -11.979 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 186 -5.430 -10.647 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -8.301 -9.658 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -6.879 -8.865 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -6.590 -11.167 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -8.308 -11.315 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -8.855 -9.439 -5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -7.274 -8.708 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -7.536 -11.325 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -7.947 -9.825 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -5.806 -9.456 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -5.492 -9.463 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -5.408 -10.909 -6.787 1.00 0.00 H new ATOM 1300 N ARG A 187 -5.386 -8.953 -0.147 1.00 0.00 N ATOM 1301 CA ARG A 187 -5.235 -8.145 1.058 1.00 0.00 C ATOM 1302 C ARG A 187 -6.469 -7.278 1.289 1.00 0.00 C ATOM 1303 O ARG A 187 -6.762 -6.377 0.504 1.00 0.00 O ATOM 1304 CB ARG A 187 -3.990 -7.262 0.952 1.00 0.00 C ATOM 1305 CG ARG A 187 -3.348 -6.951 2.294 1.00 0.00 C ATOM 1306 CD ARG A 187 -2.161 -6.013 2.141 1.00 0.00 C ATOM 1307 NE ARG A 187 -1.011 -6.681 1.536 1.00 0.00 N ATOM 1308 CZ ARG A 187 -0.842 -6.809 0.225 1.00 0.00 C ATOM 1309 NH1 ARG A 187 -1.743 -6.318 -0.615 1.00 0.00 N ATOM 1310 NH2 ARG A 187 0.231 -7.430 -0.249 1.00 0.00 N ATOM 0 H ARG A 187 -4.650 -8.818 -0.840 1.00 0.00 H new ATOM 0 HA ARG A 187 -5.123 -8.820 1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 187 -3.257 -7.757 0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 187 -4.259 -6.326 0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 187 -4.087 -6.499 2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 187 -3.022 -7.878 2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 187 -2.450 -5.160 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 187 -1.880 -5.621 3.119 1.00 0.00 H new ATOM 0 HE ARG A 187 -0.299 -7.070 2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 187 -2.569 -5.840 -0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 187 -1.610 -6.418 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 187 0.926 -7.809 0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 187 0.360 -7.528 -1.256 1.00 0.00 H new ATOM 1324 N ALA A 188 -7.188 -7.557 2.371 1.00 0.00 N ATOM 1325 CA ALA A 188 -8.388 -6.802 2.706 1.00 0.00 C ATOM 1326 C ALA A 188 -8.034 -5.441 3.296 1.00 0.00 C ATOM 1327 O ALA A 188 -7.743 -5.328 4.486 1.00 0.00 O ATOM 1328 CB ALA A 188 -9.254 -7.591 3.678 1.00 0.00 C ATOM 0 H ALA A 188 -6.960 -8.301 3.031 1.00 0.00 H new ATOM 0 HA ALA A 188 -8.950 -6.636 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 188 -10.147 -7.015 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 188 -9.545 -8.537 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 188 -8.691 -7.787 4.590 1.00 0.00 H new