USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 638 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 106 ASN : amide:sc= -1.29 K(o=-1.3,f=-4!) USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 87 ASN : amide:sc= 0.125 K(o=0.74,f=-7.7!) USER MOD Set 2.2: A 104 LYS NZ :NH3+ -141:sc= 0.615 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= -0.469 (180deg=-0.773) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.049) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.081) USER MOD Single : A 99 ASN : amide:sc= -0.0609 X(o=-0.061,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -141:sc=-0.00784 (180deg=-1.79) USER MOD Single : A 127 SER OG : rot 180:sc= -0.323 USER MOD Single : A 128 LYS NZ :NH3+ -117:sc= 0.0634 (180deg=-0.0162) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot -130:sc= 0.924 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 104:sc= 0.47 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -4.460 -6.115 -8.870 1.00 0.00 N ATOM 92 CA ASN A 51 -4.333 -7.522 -9.261 1.00 0.00 C ATOM 93 C ASN A 51 -3.481 -8.304 -8.254 1.00 0.00 C ATOM 94 O ASN A 51 -2.952 -7.732 -7.298 1.00 0.00 O ATOM 95 CB ASN A 51 -3.717 -7.628 -10.661 1.00 0.00 C ATOM 96 CG ASN A 51 -4.597 -7.004 -11.730 1.00 0.00 C ATOM 97 OD1 ASN A 51 -4.641 -5.782 -11.874 1.00 0.00 O ATOM 98 ND2 ASN A 51 -5.307 -7.840 -12.484 1.00 0.00 N ATOM 0 HA ASN A 51 -5.332 -7.959 -9.273 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.743 -7.138 -10.664 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.547 -8.677 -10.901 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.917 -7.474 -13.215 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.241 -8.846 -12.331 1.00 0.00 H new ATOM 105 N PHE A 52 -3.355 -9.614 -8.479 1.00 0.00 N ATOM 106 CA PHE A 52 -2.568 -10.474 -7.595 1.00 0.00 C ATOM 107 C PHE A 52 -1.076 -10.202 -7.768 1.00 0.00 C ATOM 108 O PHE A 52 -0.529 -10.374 -8.859 1.00 0.00 O ATOM 109 CB PHE A 52 -2.863 -11.953 -7.873 1.00 0.00 C ATOM 110 CG PHE A 52 -4.273 -12.367 -7.546 1.00 0.00 C ATOM 111 CD1 PHE A 52 -4.869 -11.979 -6.355 1.00 0.00 C ATOM 112 CD2 PHE A 52 -5.001 -13.151 -8.429 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.162 -12.363 -6.053 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.293 -13.538 -8.131 1.00 0.00 C ATOM 115 CZ PHE A 52 -6.874 -13.144 -6.942 1.00 0.00 C ATOM 0 H PHE A 52 -3.787 -10.101 -9.264 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.851 -10.247 -6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.669 -12.160 -8.925 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.172 -12.566 -7.295 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.316 -11.370 -5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.552 -13.463 -9.361 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.615 -12.053 -5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.848 -14.148 -8.828 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.884 -13.446 -6.708 1.00 0.00 H new ATOM 125 N GLY A 53 -0.426 -9.773 -6.687 1.00 0.00 N ATOM 126 CA GLY A 53 0.997 -9.478 -6.738 1.00 0.00 C ATOM 127 C GLY A 53 1.285 -8.084 -7.263 1.00 0.00 C ATOM 128 O GLY A 53 2.000 -7.926 -8.254 1.00 0.00 O ATOM 0 H GLY A 53 -0.860 -9.624 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.422 -9.581 -5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.494 -10.211 -7.373 1.00 0.00 H new ATOM 132 N ASP A 54 0.726 -7.073 -6.596 1.00 0.00 N ATOM 133 CA ASP A 54 0.918 -5.685 -6.997 1.00 0.00 C ATOM 134 C ASP A 54 0.975 -4.771 -5.776 1.00 0.00 C ATOM 135 O ASP A 54 0.713 -5.200 -4.654 1.00 0.00 O ATOM 136 CB ASP A 54 -0.215 -5.247 -7.926 1.00 0.00 C ATOM 137 CG ASP A 54 -0.050 -5.791 -9.330 1.00 0.00 C ATOM 138 OD1 ASP A 54 0.767 -5.233 -10.090 1.00 0.00 O ATOM 139 OD2 ASP A 54 -0.735 -6.781 -9.665 1.00 0.00 O ATOM 0 H ASP A 54 0.135 -7.194 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 54 1.867 -5.609 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.168 -5.584 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.252 -4.158 -7.963 1.00 0.00 H new ATOM 144 N ARG A 55 1.314 -3.507 -6.008 1.00 0.00 N ATOM 145 CA ARG A 55 1.403 -2.520 -4.932 1.00 0.00 C ATOM 146 C ARG A 55 0.150 -1.648 -4.886 1.00 0.00 C ATOM 147 O ARG A 55 -0.148 -0.916 -5.832 1.00 0.00 O ATOM 148 CB ARG A 55 2.658 -1.647 -5.092 1.00 0.00 C ATOM 149 CG ARG A 55 2.721 -0.874 -6.404 1.00 0.00 C ATOM 150 CD ARG A 55 4.053 -1.076 -7.107 1.00 0.00 C ATOM 151 NE ARG A 55 4.153 -2.395 -7.731 1.00 0.00 N ATOM 152 CZ ARG A 55 5.229 -2.838 -8.383 1.00 0.00 C ATOM 153 NH1 ARG A 55 6.313 -2.074 -8.499 1.00 0.00 N ATOM 154 NH2 ARG A 55 5.223 -4.051 -8.923 1.00 0.00 N ATOM 0 H ARG A 55 1.533 -3.139 -6.934 1.00 0.00 H new ATOM 0 HA ARG A 55 1.479 -3.061 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.702 -0.939 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.540 -2.282 -5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.911 -1.198 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.569 0.188 -6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.181 -0.305 -7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.864 -0.953 -6.389 1.00 0.00 H new ATOM 0 HE ARG A 55 3.347 -3.017 -7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.326 -1.141 -8.087 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.131 -2.422 -9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.396 -4.643 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.045 -4.391 -9.422 1.00 0.00 H new ATOM 168 N ILE A 56 -0.583 -1.739 -3.776 1.00 0.00 N ATOM 169 CA ILE A 56 -1.812 -0.967 -3.593 1.00 0.00 C ATOM 170 C ILE A 56 -1.784 -0.171 -2.286 1.00 0.00 C ATOM 171 O ILE A 56 -1.120 -0.560 -1.324 1.00 0.00 O ATOM 172 CB ILE A 56 -3.062 -1.873 -3.598 1.00 0.00 C ATOM 173 CG1 ILE A 56 -3.010 -2.869 -2.434 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.193 -2.608 -4.925 1.00 0.00 C ATOM 175 CD1 ILE A 56 -3.890 -2.475 -1.270 1.00 0.00 C ATOM 0 H ILE A 56 -0.346 -2.342 -2.988 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.869 -0.277 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.941 -1.240 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.313 -3.853 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.980 -2.959 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.081 -3.240 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.281 -1.884 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.311 -3.227 -5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.806 -3.223 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.573 -1.505 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.926 -2.413 -1.602 1.00 0.00 H new ATOM 187 N LEU A 57 -2.519 0.939 -2.258 1.00 0.00 N ATOM 188 CA LEU A 57 -2.592 1.786 -1.067 1.00 0.00 C ATOM 189 C LEU A 57 -3.825 1.444 -0.236 1.00 0.00 C ATOM 190 O LEU A 57 -4.871 1.104 -0.784 1.00 0.00 O ATOM 191 CB LEU A 57 -2.634 3.262 -1.471 1.00 0.00 C ATOM 192 CG LEU A 57 -1.694 4.182 -0.685 1.00 0.00 C ATOM 193 CD1 LEU A 57 -0.241 3.844 -0.983 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.981 5.641 -1.012 1.00 0.00 C ATOM 0 H LEU A 57 -3.073 1.274 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.703 1.604 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.389 3.339 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.655 3.625 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.870 4.026 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.411 4.508 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.042 2.811 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.049 3.971 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.305 6.281 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.833 5.811 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.011 5.877 -0.747 1.00 0.00 H new ATOM 206 N VAL A 58 -3.697 1.534 1.087 1.00 0.00 N ATOM 207 CA VAL A 58 -4.811 1.233 1.986 1.00 0.00 C ATOM 208 C VAL A 58 -4.902 2.253 3.121 1.00 0.00 C ATOM 209 O VAL A 58 -3.883 2.709 3.642 1.00 0.00 O ATOM 210 CB VAL A 58 -4.687 -0.182 2.592 1.00 0.00 C ATOM 211 CG1 VAL A 58 -4.922 -1.246 1.531 1.00 0.00 C ATOM 212 CG2 VAL A 58 -3.329 -0.374 3.253 1.00 0.00 C ATOM 0 H VAL A 58 -2.837 1.812 1.559 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.718 1.283 1.383 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.455 -0.288 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.830 -2.235 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.922 -1.129 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.183 -1.138 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.267 -1.378 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.541 -0.241 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.205 0.360 4.050 1.00 0.00 H new ATOM 222 N LYS A 59 -6.132 2.604 3.499 1.00 0.00 N ATOM 223 CA LYS A 59 -6.365 3.566 4.572 1.00 0.00 C ATOM 224 C LYS A 59 -6.661 2.850 5.889 1.00 0.00 C ATOM 225 O LYS A 59 -7.504 1.952 5.941 1.00 0.00 O ATOM 226 CB LYS A 59 -7.530 4.492 4.207 1.00 0.00 C ATOM 227 CG LYS A 59 -7.814 5.563 5.249 1.00 0.00 C ATOM 228 CD LYS A 59 -7.119 6.873 4.912 1.00 0.00 C ATOM 229 CE LYS A 59 -6.743 7.643 6.166 1.00 0.00 C ATOM 230 NZ LYS A 59 -6.076 8.937 5.849 1.00 0.00 N ATOM 0 H LYS A 59 -6.983 2.234 3.075 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.461 4.162 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.313 4.974 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.428 3.891 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.889 5.728 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.482 5.216 6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.223 6.670 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.774 7.484 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.639 7.833 6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.079 7.034 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.628 9.316 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.351 8.784 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.783 9.615 5.499 1.00 0.00 H new ATOM 244 N ALA A 60 -5.965 3.255 6.952 1.00 0.00 N ATOM 245 CA ALA A 60 -6.153 2.655 8.271 1.00 0.00 C ATOM 246 C ALA A 60 -6.703 3.677 9.265 1.00 0.00 C ATOM 247 O ALA A 60 -6.476 4.880 9.120 1.00 0.00 O ATOM 248 CB ALA A 60 -4.840 2.076 8.777 1.00 0.00 C ATOM 0 H ALA A 60 -5.266 3.997 6.924 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.881 1.849 8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.993 1.632 9.761 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.489 1.311 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.096 2.870 8.849 1.00 0.00 H new ATOM 254 N PRO A 61 -7.435 3.212 10.298 1.00 0.00 N ATOM 255 CA PRO A 61 -8.011 4.096 11.318 1.00 0.00 C ATOM 256 C PRO A 61 -6.934 4.724 12.199 1.00 0.00 C ATOM 257 O PRO A 61 -6.412 4.080 13.112 1.00 0.00 O ATOM 258 CB PRO A 61 -8.910 3.165 12.136 1.00 0.00 C ATOM 259 CG PRO A 61 -8.330 1.807 11.942 1.00 0.00 C ATOM 260 CD PRO A 61 -7.752 1.793 10.553 1.00 0.00 C ATOM 0 HA PRO A 61 -8.549 4.937 10.880 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.916 3.446 13.189 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.943 3.207 11.789 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.560 1.602 12.686 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.094 1.038 12.054 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.862 1.166 10.495 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.464 1.404 9.826 1.00 0.00 H new ATOM 268 N GLY A 62 -6.600 5.981 11.910 1.00 0.00 N ATOM 269 CA GLY A 62 -5.579 6.675 12.673 1.00 0.00 C ATOM 270 C GLY A 62 -4.310 6.912 11.870 1.00 0.00 C ATOM 271 O GLY A 62 -3.608 7.898 12.095 1.00 0.00 O ATOM 0 H GLY A 62 -7.020 6.530 11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.973 7.632 13.014 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.338 6.094 13.563 1.00 0.00 H new ATOM 275 N TYR A 63 -4.014 6.005 10.934 1.00 0.00 N ATOM 276 CA TYR A 63 -2.820 6.123 10.102 1.00 0.00 C ATOM 277 C TYR A 63 -3.190 6.362 8.638 1.00 0.00 C ATOM 278 O TYR A 63 -4.050 5.669 8.089 1.00 0.00 O ATOM 279 CB TYR A 63 -1.965 4.857 10.215 1.00 0.00 C ATOM 280 CG TYR A 63 -1.393 4.618 11.598 1.00 0.00 C ATOM 281 CD1 TYR A 63 -0.442 5.476 12.140 1.00 0.00 C ATOM 282 CD2 TYR A 63 -1.798 3.527 12.358 1.00 0.00 C ATOM 283 CE1 TYR A 63 0.086 5.254 13.399 1.00 0.00 C ATOM 284 CE2 TYR A 63 -1.273 3.298 13.616 1.00 0.00 C ATOM 285 CZ TYR A 63 -0.332 4.162 14.131 1.00 0.00 C ATOM 286 OH TYR A 63 0.195 3.934 15.382 1.00 0.00 O ATOM 0 H TYR A 63 -4.586 5.184 10.736 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.248 6.979 10.460 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.570 3.996 9.930 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.145 4.921 9.500 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.110 6.330 11.568 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.536 2.847 11.959 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.821 5.932 13.807 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.599 2.445 14.193 1.00 0.00 H new ATOM 0 HH TYR A 63 -0.206 3.125 15.763 1.00 0.00 H new ATOM 296 N PRO A 64 -2.546 7.352 7.988 1.00 0.00 N ATOM 297 CA PRO A 64 -2.809 7.687 6.576 1.00 0.00 C ATOM 298 C PRO A 64 -2.592 6.502 5.633 1.00 0.00 C ATOM 299 O PRO A 64 -2.230 5.406 6.066 1.00 0.00 O ATOM 300 CB PRO A 64 -1.798 8.799 6.275 1.00 0.00 C ATOM 301 CG PRO A 64 -1.454 9.374 7.605 1.00 0.00 C ATOM 302 CD PRO A 64 -1.514 8.227 8.573 1.00 0.00 C ATOM 0 HA PRO A 64 -3.848 7.980 6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.914 8.404 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.226 9.555 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.461 9.823 7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.156 10.160 7.885 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.554 7.718 8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.787 8.558 9.575 1.00 0.00 H new ATOM 310 N TRP A 65 -2.819 6.736 4.338 1.00 0.00 N ATOM 311 CA TRP A 65 -2.652 5.693 3.321 1.00 0.00 C ATOM 312 C TRP A 65 -1.206 5.200 3.276 1.00 0.00 C ATOM 313 O TRP A 65 -0.271 5.999 3.196 1.00 0.00 O ATOM 314 CB TRP A 65 -3.065 6.213 1.938 1.00 0.00 C ATOM 315 CG TRP A 65 -4.451 6.788 1.899 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.824 8.048 2.270 1.00 0.00 C ATOM 317 CD2 TRP A 65 -5.644 6.129 1.458 1.00 0.00 C ATOM 318 NE1 TRP A 65 -6.175 8.212 2.095 1.00 0.00 N ATOM 319 CE2 TRP A 65 -6.702 7.049 1.595 1.00 0.00 C ATOM 320 CE3 TRP A 65 -5.925 4.853 0.961 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -8.014 6.732 1.255 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -7.228 4.541 0.624 1.00 0.00 C ATOM 323 CH2 TRP A 65 -8.258 5.477 0.772 1.00 0.00 C ATOM 0 H TRP A 65 -3.119 7.638 3.968 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.298 4.858 3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -2.355 6.977 1.620 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.999 5.397 1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.153 8.806 2.647 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.701 9.061 2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -5.137 4.124 0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.811 7.452 1.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.456 3.558 0.240 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -9.266 5.202 0.499 1.00 0.00 H new ATOM 334 N TRP A 66 -1.028 3.880 3.332 1.00 0.00 N ATOM 335 CA TRP A 66 0.305 3.282 3.305 1.00 0.00 C ATOM 336 C TRP A 66 0.483 2.371 2.091 1.00 0.00 C ATOM 337 O TRP A 66 -0.458 1.687 1.678 1.00 0.00 O ATOM 338 CB TRP A 66 0.555 2.488 4.589 1.00 0.00 C ATOM 339 CG TRP A 66 1.965 2.589 5.078 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.859 1.566 5.218 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.651 3.778 5.482 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.056 2.047 5.686 1.00 0.00 N ATOM 343 CE2 TRP A 66 3.951 3.402 5.858 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.289 5.127 5.565 1.00 0.00 C ATOM 345 CZ2 TRP A 66 4.891 4.323 6.306 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.227 6.041 6.010 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.515 5.634 6.375 1.00 0.00 C ATOM 0 H TRP A 66 -1.790 3.205 3.396 1.00 0.00 H new ATOM 0 HA TRP A 66 1.031 4.092 3.232 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.119 2.846 5.367 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.312 1.440 4.414 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.654 0.530 4.993 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.888 1.487 5.875 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.296 5.448 5.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 5.886 4.012 6.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.961 7.086 6.077 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.226 6.371 6.718 1.00 0.00 H new ATOM 358 N PRO A 67 1.697 2.349 1.500 1.00 0.00 N ATOM 359 CA PRO A 67 1.991 1.516 0.329 1.00 0.00 C ATOM 360 C PRO A 67 2.120 0.033 0.682 1.00 0.00 C ATOM 361 O PRO A 67 3.169 -0.420 1.142 1.00 0.00 O ATOM 362 CB PRO A 67 3.324 2.073 -0.173 1.00 0.00 C ATOM 363 CG PRO A 67 3.984 2.616 1.046 1.00 0.00 C ATOM 364 CD PRO A 67 2.877 3.135 1.925 1.00 0.00 C ATOM 0 HA PRO A 67 1.192 1.555 -0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.929 1.295 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.173 2.850 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.556 1.842 1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.683 3.412 0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.100 2.984 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.719 4.204 1.782 1.00 0.00 H new ATOM 372 N ALA A 68 1.047 -0.715 0.449 1.00 0.00 N ATOM 373 CA ALA A 68 1.025 -2.149 0.720 1.00 0.00 C ATOM 374 C ALA A 68 1.043 -2.932 -0.591 1.00 0.00 C ATOM 375 O ALA A 68 0.938 -2.349 -1.670 1.00 0.00 O ATOM 376 CB ALA A 68 -0.205 -2.510 1.542 1.00 0.00 C ATOM 0 H ALA A 68 0.174 -0.349 0.070 1.00 0.00 H new ATOM 0 HA ALA A 68 1.913 -2.414 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.210 -3.582 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.182 -1.969 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.104 -2.238 0.990 1.00 0.00 H new ATOM 382 N LEU A 69 1.177 -4.250 -0.500 1.00 0.00 N ATOM 383 CA LEU A 69 1.200 -5.094 -1.691 1.00 0.00 C ATOM 384 C LEU A 69 0.071 -6.116 -1.647 1.00 0.00 C ATOM 385 O LEU A 69 0.012 -6.949 -0.743 1.00 0.00 O ATOM 386 CB LEU A 69 2.553 -5.800 -1.823 1.00 0.00 C ATOM 387 CG LEU A 69 3.361 -5.418 -3.068 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.699 -4.806 -2.677 1.00 0.00 C ATOM 389 CD2 LEU A 69 3.567 -6.630 -3.966 1.00 0.00 C ATOM 0 H LEU A 69 1.271 -4.756 0.381 1.00 0.00 H new ATOM 0 HA LEU A 69 1.055 -4.457 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.150 -5.579 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.385 -6.877 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 69 2.795 -4.671 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.255 -4.543 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.529 -3.910 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.272 -5.527 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.143 -6.338 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.108 -7.401 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.598 -7.019 -4.280 1.00 0.00 H new ATOM 401 N LEU A 70 -0.830 -6.040 -2.626 1.00 0.00 N ATOM 402 CA LEU A 70 -1.969 -6.950 -2.701 1.00 0.00 C ATOM 403 C LEU A 70 -1.519 -8.399 -2.866 1.00 0.00 C ATOM 404 O LEU A 70 -0.771 -8.727 -3.789 1.00 0.00 O ATOM 405 CB LEU A 70 -2.894 -6.560 -3.855 1.00 0.00 C ATOM 406 CG LEU A 70 -4.389 -6.696 -3.560 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.196 -5.775 -4.461 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.836 -8.143 -3.728 1.00 0.00 C ATOM 0 H LEU A 70 -0.791 -5.354 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.514 -6.868 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.687 -5.527 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.652 -7.178 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.566 -6.402 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.257 -5.885 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.894 -4.742 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.016 -6.037 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.902 -8.222 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.646 -8.466 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.280 -8.778 -3.038 1.00 0.00 H new ATOM 420 N LEU A 71 -1.988 -9.260 -1.965 1.00 0.00 N ATOM 421 CA LEU A 71 -1.646 -10.679 -2.003 1.00 0.00 C ATOM 422 C LEU A 71 -2.803 -11.505 -2.572 1.00 0.00 C ATOM 423 O LEU A 71 -2.585 -12.399 -3.392 1.00 0.00 O ATOM 424 CB LEU A 71 -1.275 -11.178 -0.600 1.00 0.00 C ATOM 425 CG LEU A 71 -0.388 -10.232 0.222 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.451 -10.585 1.700 1.00 0.00 C ATOM 427 CD2 LEU A 71 1.048 -10.275 -0.280 1.00 0.00 C ATOM 0 H LEU A 71 -2.607 -8.998 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.784 -10.803 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.194 -11.362 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.764 -12.136 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.764 -9.216 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.185 -9.903 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.479 -10.498 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.104 -11.608 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.662 -9.598 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.435 -11.290 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.077 -9.968 -1.325 1.00 0.00 H new ATOM 439 N ARG A 72 -4.033 -11.200 -2.139 1.00 0.00 N ATOM 440 CA ARG A 72 -5.220 -11.920 -2.612 1.00 0.00 C ATOM 441 C ARG A 72 -6.511 -11.282 -2.099 1.00 0.00 C ATOM 442 O ARG A 72 -6.482 -10.394 -1.243 1.00 0.00 O ATOM 443 CB ARG A 72 -5.165 -13.388 -2.174 1.00 0.00 C ATOM 444 CG ARG A 72 -4.879 -14.358 -3.312 1.00 0.00 C ATOM 445 CD ARG A 72 -6.048 -15.304 -3.552 1.00 0.00 C ATOM 446 NE ARG A 72 -6.004 -15.904 -4.884 1.00 0.00 N ATOM 447 CZ ARG A 72 -5.205 -16.921 -5.221 1.00 0.00 C ATOM 448 NH1 ARG A 72 -4.380 -17.458 -4.324 1.00 0.00 N ATOM 449 NH2 ARG A 72 -5.233 -17.404 -6.458 1.00 0.00 N ATOM 0 H ARG A 72 -4.231 -10.461 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.221 -11.863 -3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.395 -13.501 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.115 -13.655 -1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.671 -13.798 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.984 -14.936 -3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.037 -16.092 -2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.985 -14.760 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.621 -15.523 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.355 -17.093 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.773 -18.234 -4.589 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.864 -16.999 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.624 -18.180 -6.716 1.00 0.00 H new ATOM 463 N ARG A 73 -7.644 -11.756 -2.621 1.00 0.00 N ATOM 464 CA ARG A 73 -8.955 -11.255 -2.214 1.00 0.00 C ATOM 465 C ARG A 73 -9.744 -12.357 -1.513 1.00 0.00 C ATOM 466 O ARG A 73 -10.184 -13.318 -2.148 1.00 0.00 O ATOM 467 CB ARG A 73 -9.747 -10.728 -3.420 1.00 0.00 C ATOM 468 CG ARG A 73 -9.658 -11.610 -4.659 1.00 0.00 C ATOM 469 CD ARG A 73 -10.640 -11.168 -5.736 1.00 0.00 C ATOM 470 NE ARG A 73 -10.326 -11.750 -7.041 1.00 0.00 N ATOM 471 CZ ARG A 73 -11.043 -11.539 -8.149 1.00 0.00 C ATOM 472 NH1 ARG A 73 -12.122 -10.761 -8.122 1.00 0.00 N ATOM 473 NH2 ARG A 73 -10.676 -12.111 -9.291 1.00 0.00 N ATOM 0 H ARG A 73 -7.678 -12.489 -3.329 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.800 -10.428 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.794 -10.625 -3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.385 -9.731 -3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.643 -11.578 -5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.861 -12.645 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.650 -11.456 -5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.628 -10.081 -5.812 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.508 -12.355 -7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.410 -10.318 -7.249 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.661 -10.607 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.850 -12.709 -9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.220 -11.953 -10.139 1.00 0.00 H new ATOM 487 N LYS A 74 -9.914 -12.219 -0.200 1.00 0.00 N ATOM 488 CA LYS A 74 -10.645 -13.210 0.584 1.00 0.00 C ATOM 489 C LYS A 74 -12.034 -12.696 0.963 1.00 0.00 C ATOM 490 O LYS A 74 -12.175 -11.849 1.846 1.00 0.00 O ATOM 491 CB LYS A 74 -9.859 -13.598 1.843 1.00 0.00 C ATOM 492 CG LYS A 74 -9.089 -12.449 2.480 1.00 0.00 C ATOM 493 CD LYS A 74 -8.585 -12.815 3.870 1.00 0.00 C ATOM 494 CE LYS A 74 -9.591 -12.432 4.949 1.00 0.00 C ATOM 495 NZ LYS A 74 -10.365 -13.609 5.440 1.00 0.00 N ATOM 0 H LYS A 74 -9.556 -11.432 0.342 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.767 -14.098 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.552 -14.007 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.158 -14.393 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.245 -12.180 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.732 -11.571 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.390 -13.886 3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.638 -12.310 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.066 -11.970 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.280 -11.686 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.911 -13.338 6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.015 -13.932 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.709 -14.378 5.685 1.00 0.00 H new ATOM 509 N GLU A 75 -13.055 -13.223 0.287 1.00 0.00 N ATOM 510 CA GLU A 75 -14.439 -12.830 0.547 1.00 0.00 C ATOM 511 C GLU A 75 -15.023 -13.649 1.695 1.00 0.00 C ATOM 512 O GLU A 75 -14.878 -14.872 1.729 1.00 0.00 O ATOM 513 CB GLU A 75 -15.291 -13.016 -0.712 1.00 0.00 C ATOM 514 CG GLU A 75 -16.044 -11.763 -1.128 1.00 0.00 C ATOM 515 CD GLU A 75 -17.039 -12.023 -2.243 1.00 0.00 C ATOM 516 OE1 GLU A 75 -18.106 -12.610 -1.962 1.00 0.00 O ATOM 517 OE2 GLU A 75 -16.753 -11.636 -3.395 1.00 0.00 O ATOM 0 H GLU A 75 -12.949 -13.924 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.448 -11.777 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.647 -13.332 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -16.007 -13.820 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.570 -11.356 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.330 -11.006 -1.452 1.00 0.00 H new ATOM 524 N THR A 76 -15.683 -12.971 2.633 1.00 0.00 N ATOM 525 CA THR A 76 -16.286 -13.650 3.778 1.00 0.00 C ATOM 526 C THR A 76 -17.660 -13.069 4.111 1.00 0.00 C ATOM 527 O THR A 76 -17.870 -11.856 4.038 1.00 0.00 O ATOM 528 CB THR A 76 -15.357 -13.574 4.997 1.00 0.00 C ATOM 529 OG1 THR A 76 -15.849 -14.375 6.060 1.00 0.00 O ATOM 530 CG2 THR A 76 -15.159 -12.169 5.529 1.00 0.00 C ATOM 0 H THR A 76 -15.813 -11.959 2.623 1.00 0.00 H new ATOM 0 HA THR A 76 -16.425 -14.697 3.510 1.00 0.00 H new ATOM 0 HB THR A 76 -14.395 -13.941 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.240 -14.313 6.825 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.491 -12.197 6.390 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.722 -11.543 4.751 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.121 -11.755 5.830 1.00 0.00 H new ATOM 666 N PHE A 86 -22.019 -9.029 3.008 1.00 0.00 N ATOM 667 CA PHE A 86 -20.699 -9.542 2.664 1.00 0.00 C ATOM 668 C PHE A 86 -19.599 -8.622 3.183 1.00 0.00 C ATOM 669 O PHE A 86 -19.778 -7.404 3.260 1.00 0.00 O ATOM 670 CB PHE A 86 -20.564 -9.707 1.147 1.00 0.00 C ATOM 671 CG PHE A 86 -21.677 -10.496 0.513 1.00 0.00 C ATOM 672 CD1 PHE A 86 -22.928 -9.930 0.318 1.00 0.00 C ATOM 673 CD2 PHE A 86 -21.468 -11.803 0.108 1.00 0.00 C ATOM 674 CE1 PHE A 86 -23.948 -10.657 -0.267 1.00 0.00 C ATOM 675 CE2 PHE A 86 -22.482 -12.534 -0.477 1.00 0.00 C ATOM 676 CZ PHE A 86 -23.725 -11.961 -0.664 1.00 0.00 C ATOM 0 HA PHE A 86 -20.588 -10.516 3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -20.525 -8.720 0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.615 -10.198 0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -23.107 -8.911 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -20.499 -12.257 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -24.918 -10.206 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -22.304 -13.553 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 86 -24.521 -12.531 -1.120 1.00 0.00 H new ATOM 686 N ASN A 87 -18.458 -9.214 3.527 1.00 0.00 N ATOM 687 CA ASN A 87 -17.319 -8.461 4.031 1.00 0.00 C ATOM 688 C ASN A 87 -16.038 -8.912 3.335 1.00 0.00 C ATOM 689 O ASN A 87 -15.276 -9.723 3.866 1.00 0.00 O ATOM 690 CB ASN A 87 -17.192 -8.647 5.546 1.00 0.00 C ATOM 691 CG ASN A 87 -16.734 -7.385 6.257 1.00 0.00 C ATOM 692 OD1 ASN A 87 -16.555 -6.336 5.638 1.00 0.00 O ATOM 693 ND2 ASN A 87 -16.547 -7.481 7.569 1.00 0.00 N ATOM 0 H ASN A 87 -18.300 -10.220 3.464 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.477 -7.403 3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -18.155 -8.958 5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.485 -9.451 5.751 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -16.244 -6.666 8.102 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -16.707 -8.370 8.043 1.00 0.00 H new ATOM 700 N VAL A 88 -15.808 -8.376 2.143 1.00 0.00 N ATOM 701 CA VAL A 88 -14.617 -8.713 1.369 1.00 0.00 C ATOM 702 C VAL A 88 -13.492 -7.723 1.645 1.00 0.00 C ATOM 703 O VAL A 88 -13.728 -6.520 1.782 1.00 0.00 O ATOM 704 CB VAL A 88 -14.909 -8.753 -0.147 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.421 -7.406 -0.642 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.668 -9.181 -0.922 1.00 0.00 C ATOM 0 H VAL A 88 -16.430 -7.706 1.690 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.306 -9.709 1.684 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.692 -9.491 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.618 -7.463 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.341 -7.151 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -14.670 -6.639 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.894 -9.203 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.861 -8.472 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.360 -10.174 -0.596 1.00 0.00 H new ATOM 716 N LEU A 89 -12.271 -8.239 1.727 1.00 0.00 N ATOM 717 CA LEU A 89 -11.102 -7.406 1.987 1.00 0.00 C ATOM 718 C LEU A 89 -9.948 -7.781 1.063 1.00 0.00 C ATOM 719 O LEU A 89 -10.054 -8.714 0.262 1.00 0.00 O ATOM 720 CB LEU A 89 -10.651 -7.536 3.447 1.00 0.00 C ATOM 721 CG LEU A 89 -11.770 -7.694 4.479 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.257 -8.419 5.715 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.348 -6.334 4.852 1.00 0.00 C ATOM 0 H LEU A 89 -12.064 -9.232 1.617 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.388 -6.372 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.985 -8.395 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.065 -6.654 3.706 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.566 -8.294 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.066 -8.522 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.894 -9.407 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.443 -7.847 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.142 -6.465 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.562 -5.708 5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.753 -5.854 3.961 1.00 0.00 H new ATOM 735 N TYR A 90 -8.845 -7.048 1.186 1.00 0.00 N ATOM 736 CA TYR A 90 -7.662 -7.293 0.376 1.00 0.00 C ATOM 737 C TYR A 90 -6.452 -7.581 1.257 1.00 0.00 C ATOM 738 O TYR A 90 -5.859 -6.661 1.824 1.00 0.00 O ATOM 739 CB TYR A 90 -7.377 -6.085 -0.521 1.00 0.00 C ATOM 740 CG TYR A 90 -7.860 -6.266 -1.942 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.726 -7.488 -2.587 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.454 -5.221 -2.636 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.165 -7.663 -3.880 1.00 0.00 C ATOM 744 CE2 TYR A 90 -8.899 -5.388 -3.930 1.00 0.00 C ATOM 745 CZ TYR A 90 -8.754 -6.611 -4.549 1.00 0.00 C ATOM 746 OH TYR A 90 -9.195 -6.782 -5.841 1.00 0.00 O ATOM 0 H TYR A 90 -8.749 -6.275 1.844 1.00 0.00 H new ATOM 0 HA TYR A 90 -7.851 -8.166 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.853 -5.203 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.304 -5.894 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.269 -8.316 -2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.569 -4.261 -2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.049 -8.619 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.359 -4.565 -4.456 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.586 -5.944 -6.167 1.00 0.00 H new ATOM 756 N LYS A 91 -6.079 -8.859 1.361 1.00 0.00 N ATOM 757 CA LYS A 91 -4.925 -9.244 2.168 1.00 0.00 C ATOM 758 C LYS A 91 -3.648 -8.704 1.528 1.00 0.00 C ATOM 759 O LYS A 91 -3.094 -9.317 0.615 1.00 0.00 O ATOM 760 CB LYS A 91 -4.848 -10.771 2.339 1.00 0.00 C ATOM 761 CG LYS A 91 -5.045 -11.561 1.051 1.00 0.00 C ATOM 762 CD LYS A 91 -4.396 -12.935 1.133 1.00 0.00 C ATOM 763 CE LYS A 91 -5.415 -14.050 0.942 1.00 0.00 C ATOM 764 NZ LYS A 91 -5.963 -14.534 2.240 1.00 0.00 N ATOM 0 H LYS A 91 -6.555 -9.635 0.901 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.036 -8.811 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.877 -11.028 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.604 -11.082 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.111 -11.672 0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.620 -11.006 0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.620 -13.017 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.908 -13.050 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.231 -13.691 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.948 -14.881 0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.758 -15.180 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.219 -15.037 2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.295 -13.723 2.801 1.00 0.00 H new ATOM 778 N VAL A 92 -3.207 -7.537 1.993 1.00 0.00 N ATOM 779 CA VAL A 92 -2.015 -6.893 1.446 1.00 0.00 C ATOM 780 C VAL A 92 -0.858 -6.884 2.443 1.00 0.00 C ATOM 781 O VAL A 92 -1.068 -6.971 3.655 1.00 0.00 O ATOM 782 CB VAL A 92 -2.318 -5.446 1.001 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.488 -5.421 0.026 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.601 -4.551 2.203 1.00 0.00 C ATOM 0 H VAL A 92 -3.657 -7.018 2.747 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.716 -7.482 0.579 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.436 -5.057 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.687 -4.393 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.242 -6.017 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.373 -5.835 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.811 -3.538 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.463 -4.936 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.732 -4.539 2.860 1.00 0.00 H new ATOM 794 N LEU A 93 0.363 -6.770 1.919 1.00 0.00 N ATOM 795 CA LEU A 93 1.559 -6.739 2.752 1.00 0.00 C ATOM 796 C LEU A 93 2.038 -5.303 2.941 1.00 0.00 C ATOM 797 O LEU A 93 2.135 -4.540 1.981 1.00 0.00 O ATOM 798 CB LEU A 93 2.674 -7.584 2.123 1.00 0.00 C ATOM 799 CG LEU A 93 2.682 -9.067 2.521 1.00 0.00 C ATOM 800 CD1 LEU A 93 3.780 -9.814 1.779 1.00 0.00 C ATOM 801 CD2 LEU A 93 2.855 -9.223 4.025 1.00 0.00 C ATOM 0 H LEU A 93 0.547 -6.698 0.918 1.00 0.00 H new ATOM 0 HA LEU A 93 1.308 -7.158 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.589 -7.517 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.635 -7.147 2.395 1.00 0.00 H new ATOM 0 HG LEU A 93 1.721 -9.498 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.770 -10.863 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.610 -9.738 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.748 -9.377 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.858 -10.282 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.799 -8.773 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.032 -8.726 4.539 1.00 0.00 H new ATOM 813 N PHE A 94 2.333 -4.946 4.183 1.00 0.00 N ATOM 814 CA PHE A 94 2.802 -3.606 4.517 1.00 0.00 C ATOM 815 C PHE A 94 4.327 -3.558 4.574 1.00 0.00 C ATOM 816 O PHE A 94 4.982 -4.582 4.785 1.00 0.00 O ATOM 817 CB PHE A 94 2.222 -3.182 5.868 1.00 0.00 C ATOM 818 CG PHE A 94 0.985 -2.341 5.764 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.172 -2.849 5.192 1.00 0.00 C ATOM 820 CD2 PHE A 94 0.977 -1.045 6.248 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.312 -2.075 5.104 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.158 -0.265 6.162 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.305 -0.781 5.590 1.00 0.00 C ATOM 0 H PHE A 94 2.255 -5.572 4.984 1.00 0.00 H new ATOM 0 HA PHE A 94 2.467 -2.920 3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.994 -4.075 6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.981 -2.627 6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.181 -3.860 4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.870 -0.639 6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.208 -2.480 4.656 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.150 0.746 6.541 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.196 -0.174 5.523 1.00 0.00 H new ATOM 833 N PHE A 95 4.889 -2.363 4.394 1.00 0.00 N ATOM 834 CA PHE A 95 6.338 -2.179 4.430 1.00 0.00 C ATOM 835 C PHE A 95 6.698 -0.824 5.040 1.00 0.00 C ATOM 836 O PHE A 95 5.951 0.144 4.891 1.00 0.00 O ATOM 837 CB PHE A 95 6.927 -2.279 3.017 1.00 0.00 C ATOM 838 CG PHE A 95 6.330 -3.377 2.183 1.00 0.00 C ATOM 839 CD1 PHE A 95 5.192 -3.150 1.425 1.00 0.00 C ATOM 840 CD2 PHE A 95 6.907 -4.637 2.158 1.00 0.00 C ATOM 841 CE1 PHE A 95 4.641 -4.158 0.659 1.00 0.00 C ATOM 842 CE2 PHE A 95 6.359 -5.649 1.394 1.00 0.00 C ATOM 843 CZ PHE A 95 5.225 -5.410 0.645 1.00 0.00 C ATOM 0 H PHE A 95 4.361 -1.507 4.222 1.00 0.00 H new ATOM 0 HA PHE A 95 6.761 -2.969 5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.781 -1.328 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.003 -2.438 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.731 -2.173 1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.795 -4.830 2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.755 -3.968 0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.818 -6.627 1.383 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.794 -6.201 0.049 1.00 0.00 H new ATOM 853 N PRO A 96 7.849 -0.731 5.738 1.00 0.00 N ATOM 854 CA PRO A 96 8.770 -1.854 5.942 1.00 0.00 C ATOM 855 C PRO A 96 8.397 -2.711 7.162 1.00 0.00 C ATOM 856 O PRO A 96 7.267 -2.653 7.647 1.00 0.00 O ATOM 857 CB PRO A 96 10.101 -1.138 6.170 1.00 0.00 C ATOM 858 CG PRO A 96 9.735 0.140 6.849 1.00 0.00 C ATOM 859 CD PRO A 96 8.342 0.500 6.388 1.00 0.00 C ATOM 0 HA PRO A 96 8.770 -2.556 5.108 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.771 -1.736 6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.617 -0.952 5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.765 0.024 7.932 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.442 0.929 6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.707 0.790 7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.356 1.340 5.693 1.00 0.00 H new ATOM 867 N ASP A 97 9.365 -3.504 7.644 1.00 0.00 N ATOM 868 CA ASP A 97 9.168 -4.380 8.808 1.00 0.00 C ATOM 869 C ASP A 97 8.334 -5.624 8.471 1.00 0.00 C ATOM 870 O ASP A 97 8.064 -6.446 9.349 1.00 0.00 O ATOM 871 CB ASP A 97 8.516 -3.610 9.962 1.00 0.00 C ATOM 872 CG ASP A 97 9.320 -3.696 11.246 1.00 0.00 C ATOM 873 OD1 ASP A 97 10.458 -3.180 11.268 1.00 0.00 O ATOM 874 OD2 ASP A 97 8.814 -4.279 12.227 1.00 0.00 O ATOM 0 H ASP A 97 10.301 -3.556 7.241 1.00 0.00 H new ATOM 0 HA ASP A 97 10.157 -4.721 9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.402 -2.564 9.678 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.515 -4.004 10.137 1.00 0.00 H new ATOM 879 N PHE A 98 7.938 -5.765 7.201 1.00 0.00 N ATOM 880 CA PHE A 98 7.151 -6.914 6.750 1.00 0.00 C ATOM 881 C PHE A 98 5.899 -7.129 7.604 1.00 0.00 C ATOM 882 O PHE A 98 5.917 -7.895 8.570 1.00 0.00 O ATOM 883 CB PHE A 98 8.011 -8.180 6.751 1.00 0.00 C ATOM 884 CG PHE A 98 8.614 -8.486 5.410 1.00 0.00 C ATOM 885 CD1 PHE A 98 7.908 -9.221 4.472 1.00 0.00 C ATOM 886 CD2 PHE A 98 9.882 -8.031 5.085 1.00 0.00 C ATOM 887 CE1 PHE A 98 8.457 -9.500 3.235 1.00 0.00 C ATOM 888 CE2 PHE A 98 10.435 -8.306 3.850 1.00 0.00 C ATOM 889 CZ PHE A 98 9.721 -9.042 2.923 1.00 0.00 C ATOM 0 H PHE A 98 8.152 -5.092 6.465 1.00 0.00 H new ATOM 0 HA PHE A 98 6.821 -6.700 5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.810 -8.069 7.484 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.401 -9.026 7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.918 -9.580 4.710 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.444 -7.455 5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.897 -10.076 2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 98 11.424 -7.946 3.609 1.00 0.00 H new ATOM 0 HZ PHE A 98 10.151 -9.258 1.956 1.00 0.00 H new ATOM 899 N ASN A 99 4.812 -6.457 7.229 1.00 0.00 N ATOM 900 CA ASN A 99 3.542 -6.578 7.942 1.00 0.00 C ATOM 901 C ASN A 99 2.387 -6.747 6.952 1.00 0.00 C ATOM 902 O ASN A 99 2.616 -6.942 5.759 1.00 0.00 O ATOM 903 CB ASN A 99 3.312 -5.346 8.825 1.00 0.00 C ATOM 904 CG ASN A 99 3.549 -5.636 10.295 1.00 0.00 C ATOM 905 OD1 ASN A 99 4.427 -5.044 10.919 1.00 0.00 O ATOM 906 ND2 ASN A 99 2.765 -6.551 10.858 1.00 0.00 N ATOM 0 H ASN A 99 4.786 -5.821 6.432 1.00 0.00 H new ATOM 0 HA ASN A 99 3.583 -7.462 8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 99 3.976 -4.543 8.504 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.291 -4.989 8.688 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.881 -6.785 11.844 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.048 -7.019 10.304 1.00 0.00 H new ATOM 913 N PHE A 100 1.149 -6.669 7.443 1.00 0.00 N ATOM 914 CA PHE A 100 -0.028 -6.809 6.582 1.00 0.00 C ATOM 915 C PHE A 100 -1.267 -6.206 7.244 1.00 0.00 C ATOM 916 O PHE A 100 -1.220 -5.772 8.396 1.00 0.00 O ATOM 917 CB PHE A 100 -0.289 -8.280 6.222 1.00 0.00 C ATOM 918 CG PHE A 100 0.226 -9.264 7.232 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.541 -9.698 7.186 1.00 0.00 C ATOM 920 CD2 PHE A 100 -0.603 -9.752 8.228 1.00 0.00 C ATOM 921 CE1 PHE A 100 2.020 -10.599 8.112 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.131 -10.655 9.158 1.00 0.00 C ATOM 923 CZ PHE A 100 1.184 -11.080 9.101 1.00 0.00 C ATOM 0 H PHE A 100 0.935 -6.510 8.428 1.00 0.00 H new ATOM 0 HA PHE A 100 0.179 -6.262 5.662 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.362 -8.428 6.103 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.171 -8.493 5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.199 -9.325 6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.630 -9.422 8.277 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.047 -10.929 8.065 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.787 -11.030 9.930 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.556 -11.786 9.828 1.00 0.00 H new ATOM 933 N ALA A 101 -2.374 -6.181 6.499 1.00 0.00 N ATOM 934 CA ALA A 101 -3.631 -5.627 6.999 1.00 0.00 C ATOM 935 C ALA A 101 -4.781 -5.887 6.024 1.00 0.00 C ATOM 936 O ALA A 101 -4.646 -5.666 4.818 1.00 0.00 O ATOM 937 CB ALA A 101 -3.484 -4.132 7.253 1.00 0.00 C ATOM 0 H ALA A 101 -2.424 -6.539 5.545 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.868 -6.127 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.427 -3.732 7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.701 -3.964 7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.218 -3.629 6.323 1.00 0.00 H new ATOM 943 N TRP A 102 -5.914 -6.350 6.555 1.00 0.00 N ATOM 944 CA TRP A 102 -7.091 -6.633 5.733 1.00 0.00 C ATOM 945 C TRP A 102 -7.926 -5.367 5.535 1.00 0.00 C ATOM 946 O TRP A 102 -8.621 -4.923 6.452 1.00 0.00 O ATOM 947 CB TRP A 102 -7.947 -7.732 6.378 1.00 0.00 C ATOM 948 CG TRP A 102 -7.175 -8.975 6.713 1.00 0.00 C ATOM 949 CD1 TRP A 102 -6.297 -9.637 5.902 1.00 0.00 C ATOM 950 CD2 TRP A 102 -7.210 -9.704 7.946 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.784 -10.731 6.554 1.00 0.00 N ATOM 952 CE2 TRP A 102 -6.331 -10.798 7.810 1.00 0.00 C ATOM 953 CE3 TRP A 102 -7.901 -9.544 9.150 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -6.123 -11.718 8.834 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -7.694 -10.460 10.166 1.00 0.00 C ATOM 956 CH2 TRP A 102 -6.813 -11.535 10.002 1.00 0.00 C ATOM 0 H TRP A 102 -6.041 -6.537 7.550 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.749 -6.982 4.759 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.401 -7.340 7.288 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.761 -7.991 5.701 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -6.043 -9.342 4.894 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -5.106 -11.387 6.167 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.585 -8.719 9.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.441 -12.547 8.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.221 -10.344 11.101 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.675 -12.234 10.813 1.00 0.00 H new ATOM 967 N VAL A 103 -7.845 -4.787 4.337 1.00 0.00 N ATOM 968 CA VAL A 103 -8.582 -3.563 4.017 1.00 0.00 C ATOM 969 C VAL A 103 -9.553 -3.786 2.858 1.00 0.00 C ATOM 970 O VAL A 103 -9.264 -4.546 1.935 1.00 0.00 O ATOM 971 CB VAL A 103 -7.624 -2.411 3.654 1.00 0.00 C ATOM 972 CG1 VAL A 103 -8.380 -1.099 3.512 1.00 0.00 C ATOM 973 CG2 VAL A 103 -6.515 -2.289 4.690 1.00 0.00 C ATOM 0 H VAL A 103 -7.275 -5.146 3.571 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.146 -3.293 4.910 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.167 -2.640 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.681 -0.302 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.128 -1.193 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.873 -0.860 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -5.849 -1.470 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.952 -2.089 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.949 -3.220 4.728 1.00 0.00 H new ATOM 983 N LYS A 104 -10.702 -3.110 2.911 1.00 0.00 N ATOM 984 CA LYS A 104 -11.714 -3.233 1.862 1.00 0.00 C ATOM 985 C LYS A 104 -11.344 -2.397 0.637 1.00 0.00 C ATOM 986 O LYS A 104 -10.607 -1.414 0.747 1.00 0.00 O ATOM 987 CB LYS A 104 -13.087 -2.798 2.382 1.00 0.00 C ATOM 988 CG LYS A 104 -13.619 -3.654 3.520 1.00 0.00 C ATOM 989 CD LYS A 104 -15.111 -3.436 3.724 1.00 0.00 C ATOM 990 CE LYS A 104 -15.493 -3.522 5.195 1.00 0.00 C ATOM 991 NZ LYS A 104 -16.970 -3.536 5.387 1.00 0.00 N ATOM 0 H LYS A 104 -10.954 -2.474 3.667 1.00 0.00 H new ATOM 0 HA LYS A 104 -11.757 -4.282 1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.025 -1.763 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.800 -2.823 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.429 -4.706 3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.085 -3.414 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.394 -2.460 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -15.669 -4.182 3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -15.062 -4.424 5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -15.066 -2.675 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -17.217 -2.967 6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -17.433 -3.136 4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -17.293 -4.515 5.528 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.869 -2.790 -0.526 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.605 -2.077 -1.779 1.00 0.00 C ATOM 1007 C ARG A 105 -11.940 -0.587 -1.665 1.00 0.00 C ATOM 1008 O ARG A 105 -11.335 0.242 -2.348 1.00 0.00 O ATOM 1009 CB ARG A 105 -12.403 -2.700 -2.928 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.674 -3.835 -3.635 1.00 0.00 C ATOM 1011 CD ARG A 105 -12.638 -4.911 -4.117 1.00 0.00 C ATOM 1012 NE ARG A 105 -13.355 -4.514 -5.331 1.00 0.00 N ATOM 1013 CZ ARG A 105 -13.980 -5.372 -6.145 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -13.978 -6.678 -5.883 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -14.611 -4.923 -7.226 1.00 0.00 N ATOM 0 H ARG A 105 -12.481 -3.600 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.539 -2.169 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.350 -3.075 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.641 -1.924 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.119 -3.437 -4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.945 -4.277 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.085 -5.831 -4.309 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.358 -5.130 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.379 -3.523 -5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.497 -7.031 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -14.457 -7.325 -6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.618 -3.925 -7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.088 -5.577 -7.847 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.899 -0.247 -0.797 1.00 0.00 N ATOM 1030 CA ASN A 106 -13.298 1.147 -0.600 1.00 0.00 C ATOM 1031 C ASN A 106 -12.176 1.945 0.060 1.00 0.00 C ATOM 1032 O ASN A 106 -11.978 3.122 -0.248 1.00 0.00 O ATOM 1033 CB ASN A 106 -14.579 1.244 0.242 1.00 0.00 C ATOM 1034 CG ASN A 106 -14.441 0.604 1.613 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -14.830 -0.546 1.811 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -13.893 1.348 2.570 1.00 0.00 N ATOM 0 H ASN A 106 -13.411 -0.917 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.500 1.573 -1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.849 2.293 0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.397 0.765 -0.295 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -13.782 0.969 3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.584 2.298 2.363 1.00 0.00 H new ATOM 1043 N SER A 107 -11.439 1.297 0.964 1.00 0.00 N ATOM 1044 CA SER A 107 -10.330 1.946 1.656 1.00 0.00 C ATOM 1045 C SER A 107 -8.995 1.628 0.974 1.00 0.00 C ATOM 1046 O SER A 107 -7.933 1.758 1.588 1.00 0.00 O ATOM 1047 CB SER A 107 -10.291 1.522 3.128 1.00 0.00 C ATOM 1048 OG SER A 107 -11.052 2.408 3.931 1.00 0.00 O ATOM 0 H SER A 107 -11.592 0.325 1.232 1.00 0.00 H new ATOM 0 HA SER A 107 -10.489 3.023 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.680 0.509 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.259 1.504 3.478 1.00 0.00 H new ATOM 0 HG SER A 107 -11.014 2.117 4.866 1.00 0.00 H new ATOM 1054 N VAL A 108 -9.052 1.219 -0.298 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.847 0.897 -1.059 1.00 0.00 C ATOM 1056 C VAL A 108 -7.724 1.793 -2.294 1.00 0.00 C ATOM 1057 O VAL A 108 -8.724 2.127 -2.933 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.838 -0.581 -1.504 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.594 -0.896 -2.325 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.931 -1.510 -0.301 1.00 0.00 C ATOM 0 H VAL A 108 -9.921 1.104 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.998 1.072 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.713 -0.745 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.612 -1.943 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.574 -0.264 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.704 -0.706 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.923 -2.546 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.081 -1.337 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.856 -1.313 0.240 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.487 2.176 -2.624 1.00 0.00 N ATOM 1071 CA LYS A 109 -6.218 3.030 -3.781 1.00 0.00 C ATOM 1072 C LYS A 109 -5.161 2.398 -4.692 1.00 0.00 C ATOM 1073 O LYS A 109 -4.130 1.923 -4.215 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.746 4.411 -3.312 1.00 0.00 C ATOM 1075 CG LYS A 109 -5.390 5.361 -4.448 1.00 0.00 C ATOM 1076 CD LYS A 109 -6.494 6.381 -4.688 1.00 0.00 C ATOM 1077 CE LYS A 109 -6.285 7.135 -5.995 1.00 0.00 C ATOM 1078 NZ LYS A 109 -7.537 7.221 -6.800 1.00 0.00 N ATOM 0 H LYS A 109 -5.653 1.906 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.141 3.138 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.529 4.865 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.875 4.287 -2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.460 5.878 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.216 4.790 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.459 5.875 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.523 7.089 -3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.924 8.140 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.512 6.637 -6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.349 7.742 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -7.869 6.262 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -8.268 7.719 -6.253 1.00 0.00 H new ATOM 1092 N PRO A 110 -5.403 2.387 -6.021 1.00 0.00 N ATOM 1093 CA PRO A 110 -4.460 1.810 -6.992 1.00 0.00 C ATOM 1094 C PRO A 110 -3.164 2.616 -7.092 1.00 0.00 C ATOM 1095 O PRO A 110 -3.150 3.721 -7.640 1.00 0.00 O ATOM 1096 CB PRO A 110 -5.231 1.863 -8.315 1.00 0.00 C ATOM 1097 CG PRO A 110 -6.230 2.952 -8.132 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.607 2.931 -6.676 1.00 0.00 C ATOM 0 HA PRO A 110 -4.147 0.805 -6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.565 2.074 -9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.718 0.911 -8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.809 3.918 -8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.104 2.790 -8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.849 3.928 -6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.481 2.305 -6.496 1.00 0.00 H new ATOM 1106 N LEU A 111 -2.080 2.056 -6.558 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.778 2.723 -6.582 1.00 0.00 C ATOM 1108 C LEU A 111 0.010 2.343 -7.835 1.00 0.00 C ATOM 1109 O LEU A 111 -0.231 1.292 -8.434 1.00 0.00 O ATOM 1110 CB LEU A 111 0.022 2.369 -5.323 1.00 0.00 C ATOM 1111 CG LEU A 111 0.667 3.559 -4.606 1.00 0.00 C ATOM 1112 CD1 LEU A 111 -0.400 4.457 -3.996 1.00 0.00 C ATOM 1113 CD2 LEU A 111 1.638 3.077 -3.536 1.00 0.00 C ATOM 0 H LEU A 111 -2.077 1.143 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.948 3.799 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.639 1.858 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.805 1.662 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 111 1.226 4.140 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.077 5.297 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.054 4.831 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.987 3.887 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.086 3.937 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.102 2.472 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.421 2.477 -3.999 1.00 0.00 H new ATOM 1125 N LEU A 112 0.951 3.202 -8.227 1.00 0.00 N ATOM 1126 CA LEU A 112 1.769 2.953 -9.411 1.00 0.00 C ATOM 1127 C LEU A 112 3.256 3.148 -9.115 1.00 0.00 C ATOM 1128 O LEU A 112 3.627 3.746 -8.103 1.00 0.00 O ATOM 1129 CB LEU A 112 1.344 3.864 -10.571 1.00 0.00 C ATOM 1130 CG LEU A 112 0.803 5.240 -10.170 1.00 0.00 C ATOM 1131 CD1 LEU A 112 1.359 6.322 -11.086 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.720 5.240 -10.199 1.00 0.00 C ATOM 0 H LEU A 112 1.164 4.074 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 112 1.611 1.914 -9.701 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.201 4.008 -11.228 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.580 3.349 -11.152 1.00 0.00 H new ATOM 0 HG LEU A 112 1.128 5.456 -9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.963 7.292 -10.785 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.447 6.336 -11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.066 6.114 -12.115 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.089 6.224 -9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.065 5.003 -11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.097 4.493 -9.501 1.00 0.00 H new ATOM 1144 N ASP A 113 4.099 2.640 -10.013 1.00 0.00 N ATOM 1145 CA ASP A 113 5.552 2.748 -9.870 1.00 0.00 C ATOM 1146 C ASP A 113 6.007 4.188 -10.073 1.00 0.00 C ATOM 1147 O ASP A 113 6.879 4.681 -9.360 1.00 0.00 O ATOM 1148 CB ASP A 113 6.260 1.835 -10.876 1.00 0.00 C ATOM 1149 CG ASP A 113 6.013 0.357 -10.616 1.00 0.00 C ATOM 1150 OD1 ASP A 113 4.899 0.001 -10.177 1.00 0.00 O ATOM 1151 OD2 ASP A 113 6.939 -0.446 -10.853 1.00 0.00 O ATOM 0 H ASP A 113 3.799 2.146 -10.853 1.00 0.00 H new ATOM 0 HA ASP A 113 5.816 2.435 -8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 113 5.922 2.082 -11.882 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.332 2.030 -10.843 1.00 0.00 H new ATOM 1156 N SER A 114 5.400 4.860 -11.054 1.00 0.00 N ATOM 1157 CA SER A 114 5.726 6.250 -11.360 1.00 0.00 C ATOM 1158 C SER A 114 5.503 7.151 -10.143 1.00 0.00 C ATOM 1159 O SER A 114 6.180 8.169 -9.986 1.00 0.00 O ATOM 1160 CB SER A 114 4.878 6.745 -12.536 1.00 0.00 C ATOM 1161 OG SER A 114 5.197 6.043 -13.724 1.00 0.00 O ATOM 0 H SER A 114 4.677 4.459 -11.651 1.00 0.00 H new ATOM 0 HA SER A 114 6.781 6.296 -11.631 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.820 6.616 -12.306 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.044 7.812 -12.684 1.00 0.00 H new ATOM 0 HG SER A 114 4.642 6.376 -14.460 1.00 0.00 H new ATOM 1167 N GLU A 115 4.555 6.773 -9.283 1.00 0.00 N ATOM 1168 CA GLU A 115 4.257 7.550 -8.090 1.00 0.00 C ATOM 1169 C GLU A 115 5.229 7.209 -6.965 1.00 0.00 C ATOM 1170 O GLU A 115 5.824 8.097 -6.362 1.00 0.00 O ATOM 1171 CB GLU A 115 2.803 7.315 -7.668 1.00 0.00 C ATOM 1172 CG GLU A 115 2.626 6.589 -6.347 1.00 0.00 C ATOM 1173 CD GLU A 115 1.206 6.684 -5.823 1.00 0.00 C ATOM 1174 OE1 GLU A 115 0.284 6.204 -6.517 1.00 0.00 O ATOM 1175 OE2 GLU A 115 1.015 7.247 -4.724 1.00 0.00 O ATOM 0 H GLU A 115 3.985 5.935 -9.395 1.00 0.00 H new ATOM 0 HA GLU A 115 4.381 8.609 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.299 8.279 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.302 6.743 -8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.895 5.540 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.311 7.008 -5.610 1.00 0.00 H new ATOM 1182 N ILE A 116 5.393 5.918 -6.696 1.00 0.00 N ATOM 1183 CA ILE A 116 6.311 5.471 -5.645 1.00 0.00 C ATOM 1184 C ILE A 116 7.746 5.881 -5.978 1.00 0.00 C ATOM 1185 O ILE A 116 8.514 6.270 -5.094 1.00 0.00 O ATOM 1186 CB ILE A 116 6.247 3.942 -5.434 1.00 0.00 C ATOM 1187 CG1 ILE A 116 4.805 3.499 -5.162 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.160 3.519 -4.287 1.00 0.00 C ATOM 1189 CD1 ILE A 116 4.600 2.003 -5.268 1.00 0.00 C ATOM 0 H ILE A 116 4.908 5.165 -7.185 1.00 0.00 H new ATOM 0 HA ILE A 116 5.997 5.954 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 116 6.593 3.455 -6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.515 3.827 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.141 3.999 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.101 2.439 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.188 3.801 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.845 4.015 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.557 1.763 -5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.858 1.671 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.238 1.496 -4.544 1.00 0.00 H new ATOM 1201 N ALA A 117 8.092 5.804 -7.264 1.00 0.00 N ATOM 1202 CA ALA A 117 9.422 6.179 -7.738 1.00 0.00 C ATOM 1203 C ALA A 117 9.736 7.621 -7.370 1.00 0.00 C ATOM 1204 O ALA A 117 10.697 7.901 -6.653 1.00 0.00 O ATOM 1205 CB ALA A 117 9.501 6.013 -9.247 1.00 0.00 C ATOM 0 H ALA A 117 7.463 5.483 -8.000 1.00 0.00 H new ATOM 0 HA ALA A 117 10.153 5.526 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.496 6.295 -9.592 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.307 4.973 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.757 6.652 -9.723 1.00 0.00 H new ATOM 1211 N LYS A 118 8.902 8.529 -7.872 1.00 0.00 N ATOM 1212 CA LYS A 118 9.055 9.954 -7.613 1.00 0.00 C ATOM 1213 C LYS A 118 8.831 10.261 -6.137 1.00 0.00 C ATOM 1214 O LYS A 118 9.519 11.101 -5.562 1.00 0.00 O ATOM 1215 CB LYS A 118 8.077 10.740 -8.492 1.00 0.00 C ATOM 1216 CG LYS A 118 7.027 11.528 -7.729 1.00 0.00 C ATOM 1217 CD LYS A 118 5.831 10.649 -7.413 1.00 0.00 C ATOM 1218 CE LYS A 118 4.521 11.314 -7.810 1.00 0.00 C ATOM 1219 NZ LYS A 118 3.357 10.758 -7.058 1.00 0.00 N ATOM 0 H LYS A 118 8.106 8.297 -8.466 1.00 0.00 H new ATOM 0 HA LYS A 118 10.073 10.256 -7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 118 8.645 11.429 -9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.573 10.044 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.455 11.916 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.709 12.388 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.930 9.698 -7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.816 10.425 -6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.590 12.387 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.358 11.182 -8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 2.538 10.679 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 3.600 9.817 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.121 11.390 -6.267 1.00 0.00 H new ATOM 1233 N PHE A 119 7.854 9.579 -5.533 1.00 0.00 N ATOM 1234 CA PHE A 119 7.537 9.782 -4.114 1.00 0.00 C ATOM 1235 C PHE A 119 8.807 9.777 -3.277 1.00 0.00 C ATOM 1236 O PHE A 119 9.065 10.713 -2.519 1.00 0.00 O ATOM 1237 CB PHE A 119 6.582 8.693 -3.599 1.00 0.00 C ATOM 1238 CG PHE A 119 6.430 8.686 -2.098 1.00 0.00 C ATOM 1239 CD1 PHE A 119 7.384 8.078 -1.293 1.00 0.00 C ATOM 1240 CD2 PHE A 119 5.337 9.286 -1.495 1.00 0.00 C ATOM 1241 CE1 PHE A 119 7.247 8.070 0.081 1.00 0.00 C ATOM 1242 CE2 PHE A 119 5.198 9.282 -0.121 1.00 0.00 C ATOM 1243 CZ PHE A 119 6.155 8.672 0.668 1.00 0.00 C ATOM 0 H PHE A 119 7.271 8.885 -6.000 1.00 0.00 H new ATOM 0 HA PHE A 119 7.047 10.751 -4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 119 5.602 8.835 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.946 7.718 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 119 8.243 7.606 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 119 4.585 9.762 -2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.995 7.592 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.342 9.755 0.337 1.00 0.00 H new ATOM 0 HZ PHE A 119 6.047 8.667 1.743 1.00 0.00 H new ATOM 1253 N LEU A 120 9.591 8.715 -3.418 1.00 0.00 N ATOM 1254 CA LEU A 120 10.833 8.581 -2.671 1.00 0.00 C ATOM 1255 C LEU A 120 11.795 9.719 -3.001 1.00 0.00 C ATOM 1256 O LEU A 120 12.522 10.199 -2.131 1.00 0.00 O ATOM 1257 CB LEU A 120 11.487 7.241 -2.976 1.00 0.00 C ATOM 1258 CG LEU A 120 10.709 6.024 -2.476 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.947 4.826 -3.385 1.00 0.00 C ATOM 1260 CD2 LEU A 120 11.103 5.702 -1.044 1.00 0.00 C ATOM 0 H LEU A 120 9.388 7.935 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 120 10.597 8.630 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.619 7.153 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.482 7.228 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 120 9.644 6.257 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.385 3.969 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.617 5.065 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 120 12.010 4.585 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.542 4.833 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.170 5.486 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.879 6.556 -0.404 1.00 0.00 H new ATOM 1272 N GLY A 121 11.778 10.159 -4.261 1.00 0.00 N ATOM 1273 CA GLY A 121 12.637 11.251 -4.681 1.00 0.00 C ATOM 1274 C GLY A 121 11.918 12.590 -4.647 1.00 0.00 C ATOM 1275 O GLY A 121 12.281 13.511 -5.381 1.00 0.00 O ATOM 0 H GLY A 121 11.183 9.776 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 121 13.512 11.293 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 121 12.998 11.060 -5.691 1.00 0.00 H new ATOM 1369 N SER A 127 9.306 11.758 4.844 1.00 0.00 N ATOM 1370 CA SER A 127 9.632 11.426 6.227 1.00 0.00 C ATOM 1371 C SER A 127 10.369 10.088 6.288 1.00 0.00 C ATOM 1372 O SER A 127 10.204 9.248 5.409 1.00 0.00 O ATOM 1373 CB SER A 127 8.354 11.384 7.077 1.00 0.00 C ATOM 1374 OG SER A 127 7.862 10.063 7.224 1.00 0.00 O ATOM 0 HA SER A 127 10.287 12.197 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.558 11.807 8.061 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.589 12.007 6.614 1.00 0.00 H new ATOM 0 HG SER A 127 7.049 10.076 7.772 1.00 0.00 H new ATOM 1380 N LYS A 128 11.181 9.894 7.328 1.00 0.00 N ATOM 1381 CA LYS A 128 11.938 8.649 7.484 1.00 0.00 C ATOM 1382 C LYS A 128 11.002 7.441 7.519 1.00 0.00 C ATOM 1383 O LYS A 128 11.323 6.381 6.983 1.00 0.00 O ATOM 1384 CB LYS A 128 12.799 8.688 8.753 1.00 0.00 C ATOM 1385 CG LYS A 128 14.141 9.379 8.553 1.00 0.00 C ATOM 1386 CD LYS A 128 15.228 8.771 9.430 1.00 0.00 C ATOM 1387 CE LYS A 128 15.657 7.395 8.931 1.00 0.00 C ATOM 1388 NZ LYS A 128 16.501 7.478 7.704 1.00 0.00 N ATOM 0 H LYS A 128 11.332 10.577 8.071 1.00 0.00 H new ATOM 0 HA LYS A 128 12.597 8.551 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.248 9.202 9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.972 7.668 9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.435 9.305 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.041 10.440 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 128 16.092 9.435 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.865 8.689 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.211 6.882 9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 128 14.772 6.794 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.012 7.010 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.669 8.476 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.411 7.006 7.876 1.00 0.00 H new ATOM 1402 N GLU A 129 9.833 7.617 8.138 1.00 0.00 N ATOM 1403 CA GLU A 129 8.844 6.549 8.227 1.00 0.00 C ATOM 1404 C GLU A 129 8.090 6.395 6.904 1.00 0.00 C ATOM 1405 O GLU A 129 7.699 5.288 6.537 1.00 0.00 O ATOM 1406 CB GLU A 129 7.853 6.829 9.361 1.00 0.00 C ATOM 1407 CG GLU A 129 8.362 6.415 10.734 1.00 0.00 C ATOM 1408 CD GLU A 129 7.660 7.142 11.866 1.00 0.00 C ATOM 1409 OE1 GLU A 129 7.397 8.356 11.727 1.00 0.00 O ATOM 1410 OE2 GLU A 129 7.373 6.496 12.896 1.00 0.00 O ATOM 0 H GLU A 129 9.551 8.490 8.584 1.00 0.00 H new ATOM 0 HA GLU A 129 9.371 5.619 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.622 7.894 9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.921 6.303 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.225 5.341 10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.433 6.609 10.793 1.00 0.00 H new ATOM 1417 N LEU A 130 7.885 7.511 6.192 1.00 0.00 N ATOM 1418 CA LEU A 130 7.170 7.482 4.914 1.00 0.00 C ATOM 1419 C LEU A 130 8.085 7.035 3.773 1.00 0.00 C ATOM 1420 O LEU A 130 7.704 6.188 2.964 1.00 0.00 O ATOM 1421 CB LEU A 130 6.566 8.855 4.586 1.00 0.00 C ATOM 1422 CG LEU A 130 5.034 8.927 4.629 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.560 10.352 4.376 1.00 0.00 C ATOM 1424 CD2 LEU A 130 4.418 7.974 3.612 1.00 0.00 C ATOM 0 H LEU A 130 8.202 8.437 6.478 1.00 0.00 H new ATOM 0 HA LEU A 130 6.362 6.757 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.967 9.586 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.899 9.151 3.591 1.00 0.00 H new ATOM 0 HG LEU A 130 4.707 8.623 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.471 10.385 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.967 11.012 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.902 10.680 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.331 8.043 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.754 8.244 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.728 6.953 3.836 1.00 0.00 H new ATOM 1436 N ILE A 131 9.290 7.602 3.710 1.00 0.00 N ATOM 1437 CA ILE A 131 10.244 7.248 2.664 1.00 0.00 C ATOM 1438 C ILE A 131 10.568 5.763 2.724 1.00 0.00 C ATOM 1439 O ILE A 131 10.403 5.043 1.739 1.00 0.00 O ATOM 1440 CB ILE A 131 11.558 8.050 2.772 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.286 9.554 2.656 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.536 7.599 1.695 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.255 10.407 3.452 1.00 0.00 C ATOM 0 H ILE A 131 9.626 8.305 4.369 1.00 0.00 H new ATOM 0 HA ILE A 131 9.771 7.494 1.713 1.00 0.00 H new ATOM 0 HB ILE A 131 12.001 7.860 3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.336 9.844 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.271 9.759 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.460 8.171 1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.753 6.538 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.096 7.764 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.003 11.460 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.189 10.144 4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.271 10.231 3.097 1.00 0.00 H new ATOM 1455 N GLU A 132 11.022 5.309 3.891 1.00 0.00 N ATOM 1456 CA GLU A 132 11.358 3.904 4.080 1.00 0.00 C ATOM 1457 C GLU A 132 10.177 3.018 3.697 1.00 0.00 C ATOM 1458 O GLU A 132 10.353 1.871 3.292 1.00 0.00 O ATOM 1459 CB GLU A 132 11.778 3.645 5.530 1.00 0.00 C ATOM 1460 CG GLU A 132 13.273 3.799 5.763 1.00 0.00 C ATOM 1461 CD GLU A 132 13.775 5.209 5.490 1.00 0.00 C ATOM 1462 OE1 GLU A 132 13.875 5.586 4.303 1.00 0.00 O ATOM 1463 OE2 GLU A 132 14.074 5.934 6.463 1.00 0.00 O ATOM 0 H GLU A 132 11.164 5.893 4.715 1.00 0.00 H new ATOM 0 HA GLU A 132 12.198 3.658 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 132 11.243 4.334 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.476 2.637 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.504 3.530 6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.809 3.098 5.123 1.00 0.00 H new ATOM 1470 N ALA A 133 8.968 3.571 3.817 1.00 0.00 N ATOM 1471 CA ALA A 133 7.753 2.852 3.470 1.00 0.00 C ATOM 1472 C ALA A 133 7.693 2.564 1.982 1.00 0.00 C ATOM 1473 O ALA A 133 7.598 1.410 1.567 1.00 0.00 O ATOM 1474 CB ALA A 133 6.534 3.655 3.887 1.00 0.00 C ATOM 0 H ALA A 133 8.810 4.521 4.155 1.00 0.00 H new ATOM 0 HA ALA A 133 7.761 1.901 4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.630 3.107 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.557 3.818 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.539 4.617 3.374 1.00 0.00 H new ATOM 1480 N TYR A 134 7.750 3.624 1.179 1.00 0.00 N ATOM 1481 CA TYR A 134 7.694 3.476 -0.274 1.00 0.00 C ATOM 1482 C TYR A 134 8.933 2.760 -0.800 1.00 0.00 C ATOM 1483 O TYR A 134 8.870 2.061 -1.814 1.00 0.00 O ATOM 1484 CB TYR A 134 7.511 4.834 -0.956 1.00 0.00 C ATOM 1485 CG TYR A 134 6.073 5.317 -0.934 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.431 5.596 0.267 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.359 5.492 -2.115 1.00 0.00 C ATOM 1488 CE1 TYR A 134 4.120 6.035 0.290 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.049 5.932 -2.098 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.435 6.203 -0.894 1.00 0.00 C ATOM 1491 OH TYR A 134 2.131 6.643 -0.875 1.00 0.00 O ATOM 0 H TYR A 134 7.834 4.587 1.505 1.00 0.00 H new ATOM 0 HA TYR A 134 6.827 2.861 -0.515 1.00 0.00 H new ATOM 0 HB2 TYR A 134 8.144 5.571 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 134 7.850 4.764 -1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.965 5.468 1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 134 5.836 5.281 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.635 6.245 1.232 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.509 6.063 -3.024 1.00 0.00 H new ATOM 0 HH TYR A 134 1.795 6.709 -1.793 1.00 0.00 H new ATOM 1501 N GLU A 135 10.052 2.908 -0.094 1.00 0.00 N ATOM 1502 CA GLU A 135 11.288 2.243 -0.482 1.00 0.00 C ATOM 1503 C GLU A 135 11.221 0.755 -0.143 1.00 0.00 C ATOM 1504 O GLU A 135 11.847 -0.072 -0.807 1.00 0.00 O ATOM 1505 CB GLU A 135 12.489 2.881 0.223 1.00 0.00 C ATOM 1506 CG GLU A 135 13.698 3.062 -0.680 1.00 0.00 C ATOM 1507 CD GLU A 135 14.992 3.219 0.096 1.00 0.00 C ATOM 1508 OE1 GLU A 135 15.277 4.345 0.552 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.721 2.216 0.242 1.00 0.00 O ATOM 0 H GLU A 135 10.126 3.481 0.747 1.00 0.00 H new ATOM 0 HA GLU A 135 11.411 2.358 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.193 3.852 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.771 2.262 1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 135 13.781 2.203 -1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.548 3.939 -1.309 1.00 0.00 H new ATOM 1516 N ALA A 136 10.446 0.423 0.895 1.00 0.00 N ATOM 1517 CA ALA A 136 10.289 -0.962 1.319 1.00 0.00 C ATOM 1518 C ALA A 136 9.242 -1.678 0.468 1.00 0.00 C ATOM 1519 O ALA A 136 9.346 -2.879 0.231 1.00 0.00 O ATOM 1520 CB ALA A 136 9.917 -1.027 2.792 1.00 0.00 C ATOM 0 H ALA A 136 9.921 1.097 1.452 1.00 0.00 H new ATOM 0 HA ALA A 136 11.243 -1.471 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.803 -2.068 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.703 -0.561 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.978 -0.498 2.954 1.00 0.00 H new ATOM 1526 N SER A 137 8.238 -0.930 0.006 1.00 0.00 N ATOM 1527 CA SER A 137 7.177 -1.500 -0.827 1.00 0.00 C ATOM 1528 C SER A 137 7.631 -1.641 -2.281 1.00 0.00 C ATOM 1529 O SER A 137 7.195 -2.553 -2.985 1.00 0.00 O ATOM 1530 CB SER A 137 5.912 -0.637 -0.763 1.00 0.00 C ATOM 1531 OG SER A 137 5.673 -0.170 0.552 1.00 0.00 O ATOM 0 H SER A 137 8.137 0.068 0.193 1.00 0.00 H new ATOM 0 HA SER A 137 6.951 -2.492 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.014 0.212 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.056 -1.217 -1.106 1.00 0.00 H new ATOM 0 HG SER A 137 4.744 -0.355 0.801 1.00 0.00 H new ATOM 1537 N LYS A 138 8.506 -0.735 -2.729 1.00 0.00 N ATOM 1538 CA LYS A 138 9.011 -0.769 -4.101 1.00 0.00 C ATOM 1539 C LYS A 138 9.914 -1.985 -4.332 1.00 0.00 C ATOM 1540 O LYS A 138 10.016 -2.479 -5.454 1.00 0.00 O ATOM 1541 CB LYS A 138 9.776 0.516 -4.426 1.00 0.00 C ATOM 1542 CG LYS A 138 9.868 0.813 -5.916 1.00 0.00 C ATOM 1543 CD LYS A 138 9.575 2.276 -6.216 1.00 0.00 C ATOM 1544 CE LYS A 138 10.277 2.741 -7.484 1.00 0.00 C ATOM 1545 NZ LYS A 138 11.707 3.088 -7.241 1.00 0.00 N ATOM 0 H LYS A 138 8.877 0.028 -2.162 1.00 0.00 H new ATOM 0 HA LYS A 138 8.151 -0.849 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.290 1.354 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 138 10.783 0.442 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 138 10.865 0.560 -6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 138 9.163 0.182 -6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.499 2.418 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.896 2.891 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.218 1.956 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.757 3.610 -7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 12.145 3.399 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.764 3.855 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.211 2.252 -6.881 1.00 0.00 H new ATOM 1559 N THR A 139 10.565 -2.456 -3.262 1.00 0.00 N ATOM 1560 CA THR A 139 11.464 -3.613 -3.335 1.00 0.00 C ATOM 1561 C THR A 139 10.810 -4.793 -4.058 1.00 0.00 C ATOM 1562 O THR A 139 9.962 -5.485 -3.489 1.00 0.00 O ATOM 1563 CB THR A 139 11.891 -4.045 -1.925 1.00 0.00 C ATOM 1564 OG1 THR A 139 11.976 -2.931 -1.050 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.225 -4.757 -1.888 1.00 0.00 C ATOM 0 H THR A 139 10.485 -2.050 -2.330 1.00 0.00 H new ATOM 0 HA THR A 139 12.341 -3.309 -3.906 1.00 0.00 H new ATOM 0 HB THR A 139 11.116 -4.740 -1.601 1.00 0.00 H new ATOM 0 HG1 THR A 139 11.196 -2.921 -0.456 1.00 0.00 H new ATOM 0 HG21 THR A 139 13.462 -5.033 -0.860 1.00 0.00 H new ATOM 0 HG22 THR A 139 13.175 -5.656 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 139 14.001 -4.096 -2.275 1.00 0.00 H new