USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 895 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 65 THR OG1 : rot -108:sc= -0.484 USER MOD Set 1.2: A 118 SER OG : rot 76:sc= 0.628 USER MOD Set 2.1: A 64 HIS : no HD1:sc= -1.48 K(o=-3,f=-6.1!) USER MOD Set 2.2: A 68 ASN :FLIP amide:sc= -1.55 F(o=-5.6!,f=-3) USER MOD Single : A 13 THR OG1 : rot -39:sc= 0.925 USER MOD Single : A 14 LYS NZ :NH3+ -136:sc= -0.132 (180deg=-1.34!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.02) USER MOD Single : A 19 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.8!) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.03 F(o=-1.6,f=-1) USER MOD Single : A 23 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.111 F(o=-0.66,f=-0.11) USER MOD Single : A 34 MET CE :methyl -158:sc= 0 (180deg=-0.213) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 45 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -175:sc= -4.35! (180deg=-4.94!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 148:sc= -6.88! (180deg=-10.1!) USER MOD Single : A 61 LYS NZ :NH3+ -127:sc= -0.0476 (180deg=-0.597) USER MOD Single : A 63 CYS SG : rot -100:sc= -5.48! USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -2.89! (180deg=-3.89!) USER MOD Single : A 75 ASN : amide:sc= -0.217! C(o=-0.22!,f=-5.4!) USER MOD Single : A 76 SER OG : rot -84:sc= 0.784 USER MOD Single : A 79 LYS NZ :NH3+ -147:sc= 0.394 (180deg=-0.0719) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl -122:sc= -1.18 (180deg=-4.92) USER MOD Single : A 96 THR OG1 : rot 86:sc= 0.978 USER MOD Single : A 98 MET CE :methyl 129:sc= -1.63 (180deg=-3.74!) USER MOD Single : A 101 LYS NZ :NH3+ -175:sc= -0.0721 (180deg=-0.12) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc=-0.000363 X(o=-0.00036,f=-0.46) USER MOD Single : A 120 THR OG1 : rot 90:sc= 0.099 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 8 7.787 -17.652 3.275 1.00 0.00 N ATOM 115 CA VAL A 8 8.747 -16.581 2.897 1.00 0.00 C ATOM 116 C VAL A 8 8.009 -15.476 2.159 1.00 0.00 C ATOM 117 O VAL A 8 7.979 -14.337 2.581 1.00 0.00 O ATOM 118 CB VAL A 8 9.770 -17.259 1.988 1.00 0.00 C ATOM 119 CG1 VAL A 8 10.793 -16.228 1.510 1.00 0.00 C ATOM 120 CG2 VAL A 8 10.489 -18.364 2.766 1.00 0.00 C ATOM 0 HA VAL A 8 9.229 -16.124 3.761 1.00 0.00 H new ATOM 0 HB VAL A 8 9.259 -17.691 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.523 -16.713 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.283 -15.439 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.303 -15.796 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.219 -18.849 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.998 -17.931 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.762 -19.101 3.108 1.00 0.00 H new ATOM 130 N PHE A 9 7.398 -15.814 1.073 1.00 0.00 N ATOM 131 CA PHE A 9 6.633 -14.790 0.307 1.00 0.00 C ATOM 132 C PHE A 9 5.701 -14.049 1.268 1.00 0.00 C ATOM 133 O PHE A 9 5.578 -12.841 1.227 1.00 0.00 O ATOM 134 CB PHE A 9 5.830 -15.575 -0.732 1.00 0.00 C ATOM 135 CG PHE A 9 4.697 -14.719 -1.252 1.00 0.00 C ATOM 136 CD1 PHE A 9 3.488 -14.655 -0.548 1.00 0.00 C ATOM 137 CD2 PHE A 9 4.856 -13.989 -2.436 1.00 0.00 C ATOM 138 CE1 PHE A 9 2.438 -13.861 -1.029 1.00 0.00 C ATOM 139 CE2 PHE A 9 3.807 -13.195 -2.917 1.00 0.00 C ATOM 140 CZ PHE A 9 2.599 -13.131 -2.212 1.00 0.00 C ATOM 0 H PHE A 9 7.390 -16.753 0.675 1.00 0.00 H new ATOM 0 HA PHE A 9 7.274 -14.050 -0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.478 -15.877 -1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.434 -16.488 -0.287 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.365 -15.218 0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.788 -14.038 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.505 -13.813 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.930 -12.633 -3.831 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.791 -12.518 -2.582 1.00 0.00 H new ATOM 150 N VAL A 10 5.054 -14.771 2.143 1.00 0.00 N ATOM 151 CA VAL A 10 4.141 -14.119 3.120 1.00 0.00 C ATOM 152 C VAL A 10 4.963 -13.386 4.183 1.00 0.00 C ATOM 153 O VAL A 10 4.613 -12.305 4.614 1.00 0.00 O ATOM 154 CB VAL A 10 3.346 -15.263 3.747 1.00 0.00 C ATOM 155 CG1 VAL A 10 2.295 -14.691 4.701 1.00 0.00 C ATOM 156 CG2 VAL A 10 2.651 -16.062 2.643 1.00 0.00 C ATOM 0 H VAL A 10 5.120 -15.786 2.222 1.00 0.00 H new ATOM 0 HA VAL A 10 3.486 -13.383 2.654 1.00 0.00 H new ATOM 0 HB VAL A 10 4.021 -15.916 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.727 -15.507 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.789 -14.119 5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.619 -14.039 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.083 -16.879 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.975 -15.408 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.399 -16.469 1.962 1.00 0.00 H new ATOM 166 N ASP A 11 6.060 -13.960 4.604 1.00 0.00 N ATOM 167 CA ASP A 11 6.903 -13.283 5.630 1.00 0.00 C ATOM 168 C ASP A 11 7.446 -11.977 5.061 1.00 0.00 C ATOM 169 O ASP A 11 7.860 -11.088 5.780 1.00 0.00 O ATOM 170 CB ASP A 11 8.040 -14.260 5.933 1.00 0.00 C ATOM 171 CG ASP A 11 9.145 -13.530 6.698 1.00 0.00 C ATOM 172 OD1 ASP A 11 8.834 -12.916 7.705 1.00 0.00 O ATOM 173 OD2 ASP A 11 10.283 -13.597 6.264 1.00 0.00 O ATOM 0 H ASP A 11 6.406 -14.864 4.283 1.00 0.00 H new ATOM 0 HA ASP A 11 6.345 -13.036 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.667 -15.098 6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.436 -14.673 5.006 1.00 0.00 H new ATOM 178 N GLU A 12 7.427 -11.859 3.772 1.00 0.00 N ATOM 179 CA GLU A 12 7.918 -10.613 3.120 1.00 0.00 C ATOM 180 C GLU A 12 6.768 -9.614 3.017 1.00 0.00 C ATOM 181 O GLU A 12 6.904 -8.451 3.346 1.00 0.00 O ATOM 182 CB GLU A 12 8.378 -11.044 1.728 1.00 0.00 C ATOM 183 CG GLU A 12 9.853 -11.440 1.781 1.00 0.00 C ATOM 184 CD GLU A 12 10.245 -12.132 0.475 1.00 0.00 C ATOM 185 OE1 GLU A 12 9.369 -12.696 -0.160 1.00 0.00 O ATOM 186 OE2 GLU A 12 11.414 -12.086 0.131 1.00 0.00 O ATOM 0 H GLU A 12 7.090 -12.577 3.130 1.00 0.00 H new ATOM 0 HA GLU A 12 8.724 -10.135 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.777 -11.883 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.234 -10.230 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.472 -10.556 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.031 -12.106 2.625 1.00 0.00 H new ATOM 193 N THR A 13 5.631 -10.066 2.570 1.00 0.00 N ATOM 194 CA THR A 13 4.459 -9.156 2.452 1.00 0.00 C ATOM 195 C THR A 13 4.202 -8.469 3.794 1.00 0.00 C ATOM 196 O THR A 13 3.828 -7.316 3.852 1.00 0.00 O ATOM 197 CB THR A 13 3.290 -10.067 2.076 1.00 0.00 C ATOM 198 OG1 THR A 13 3.008 -10.944 3.157 1.00 0.00 O ATOM 199 CG2 THR A 13 3.659 -10.883 0.837 1.00 0.00 C ATOM 0 H THR A 13 5.462 -11.029 2.280 1.00 0.00 H new ATOM 0 HA THR A 13 4.610 -8.369 1.714 1.00 0.00 H new ATOM 0 HB THR A 13 2.410 -9.461 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.848 -11.238 3.567 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.826 -11.533 0.568 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.875 -10.209 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.539 -11.490 1.050 1.00 0.00 H new ATOM 207 N LYS A 14 4.411 -9.169 4.876 1.00 0.00 N ATOM 208 CA LYS A 14 4.188 -8.557 6.215 1.00 0.00 C ATOM 209 C LYS A 14 5.349 -7.620 6.549 1.00 0.00 C ATOM 210 O LYS A 14 5.153 -6.518 7.024 1.00 0.00 O ATOM 211 CB LYS A 14 4.143 -9.737 7.188 1.00 0.00 C ATOM 212 CG LYS A 14 2.857 -10.535 6.961 1.00 0.00 C ATOM 213 CD LYS A 14 3.137 -12.023 7.180 1.00 0.00 C ATOM 214 CE LYS A 14 2.440 -12.490 8.460 1.00 0.00 C ATOM 215 NZ LYS A 14 2.642 -13.965 8.491 1.00 0.00 N ATOM 0 H LYS A 14 4.727 -10.139 4.889 1.00 0.00 H new ATOM 0 HA LYS A 14 3.274 -7.965 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.012 -10.378 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.184 -9.377 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.080 -10.195 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.486 -10.368 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.780 -12.601 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.211 -12.195 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.871 -12.014 9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.380 -12.237 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.752 -14.432 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.938 -14.295 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.378 -14.200 9.187 1.00 0.00 H new ATOM 229 N GLU A 15 6.557 -8.042 6.293 1.00 0.00 N ATOM 230 CA GLU A 15 7.723 -7.163 6.586 1.00 0.00 C ATOM 231 C GLU A 15 7.714 -5.966 5.643 1.00 0.00 C ATOM 232 O GLU A 15 8.363 -4.965 5.872 1.00 0.00 O ATOM 233 CB GLU A 15 8.956 -8.031 6.346 1.00 0.00 C ATOM 234 CG GLU A 15 9.143 -8.980 7.528 1.00 0.00 C ATOM 235 CD GLU A 15 10.525 -8.761 8.149 1.00 0.00 C ATOM 236 OE1 GLU A 15 11.134 -7.747 7.850 1.00 0.00 O ATOM 237 OE2 GLU A 15 10.949 -9.610 8.915 1.00 0.00 O ATOM 0 H GLU A 15 6.786 -8.953 5.896 1.00 0.00 H new ATOM 0 HA GLU A 15 7.703 -6.773 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.841 -8.599 5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.839 -7.403 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.367 -8.806 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.042 -10.014 7.197 1.00 0.00 H new ATOM 244 N TYR A 16 6.967 -6.069 4.589 1.00 0.00 N ATOM 245 CA TYR A 16 6.880 -4.951 3.611 1.00 0.00 C ATOM 246 C TYR A 16 5.746 -4.009 4.007 1.00 0.00 C ATOM 247 O TYR A 16 5.862 -2.808 3.894 1.00 0.00 O ATOM 248 CB TYR A 16 6.589 -5.614 2.265 1.00 0.00 C ATOM 249 CG TYR A 16 7.889 -5.916 1.561 1.00 0.00 C ATOM 250 CD1 TYR A 16 8.941 -6.517 2.264 1.00 0.00 C ATOM 251 CD2 TYR A 16 8.044 -5.598 0.206 1.00 0.00 C ATOM 252 CE1 TYR A 16 10.147 -6.798 1.613 1.00 0.00 C ATOM 253 CE2 TYR A 16 9.252 -5.880 -0.445 1.00 0.00 C ATOM 254 CZ TYR A 16 10.302 -6.481 0.258 1.00 0.00 C ATOM 255 OH TYR A 16 11.491 -6.759 -0.384 1.00 0.00 O ATOM 0 H TYR A 16 6.405 -6.888 4.357 1.00 0.00 H new ATOM 0 HA TYR A 16 7.794 -4.358 3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.023 -6.533 2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.974 -4.957 1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.821 -6.763 3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.233 -5.136 -0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.959 -7.260 2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.373 -5.634 -1.490 1.00 0.00 H new ATOM 0 HH TYR A 16 11.431 -6.477 -1.321 1.00 0.00 H new ATOM 265 N LEU A 17 4.655 -4.539 4.487 1.00 0.00 N ATOM 266 CA LEU A 17 3.535 -3.654 4.909 1.00 0.00 C ATOM 267 C LEU A 17 4.037 -2.740 6.012 1.00 0.00 C ATOM 268 O LEU A 17 3.741 -1.564 6.052 1.00 0.00 O ATOM 269 CB LEU A 17 2.454 -4.593 5.436 1.00 0.00 C ATOM 270 CG LEU A 17 1.840 -5.344 4.263 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.123 -6.595 4.774 1.00 0.00 C ATOM 272 CD2 LEU A 17 0.842 -4.432 3.550 1.00 0.00 C ATOM 0 H LEU A 17 4.492 -5.539 4.604 1.00 0.00 H new ATOM 0 HA LEU A 17 3.151 -3.031 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.881 -5.296 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.687 -4.026 5.964 1.00 0.00 H new ATOM 0 HG LEU A 17 2.624 -5.641 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.684 -7.132 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.838 -7.241 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.336 -6.305 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.399 -4.965 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.057 -4.137 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.357 -3.543 3.186 1.00 0.00 H new ATOM 284 N GLN A 18 4.828 -3.278 6.890 1.00 0.00 N ATOM 285 CA GLN A 18 5.397 -2.451 7.980 1.00 0.00 C ATOM 286 C GLN A 18 6.362 -1.468 7.354 1.00 0.00 C ATOM 287 O GLN A 18 6.306 -0.275 7.575 1.00 0.00 O ATOM 288 CB GLN A 18 6.090 -3.457 8.898 1.00 0.00 C ATOM 289 CG GLN A 18 7.594 -3.177 9.014 1.00 0.00 C ATOM 290 CD GLN A 18 8.166 -3.951 10.203 1.00 0.00 C ATOM 291 OE1 GLN A 18 9.166 -4.630 10.076 1.00 0.00 O ATOM 292 NE2 GLN A 18 7.569 -3.878 11.361 1.00 0.00 N ATOM 0 H GLN A 18 5.106 -4.259 6.899 1.00 0.00 H new ATOM 0 HA GLN A 18 4.669 -1.868 8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.635 -3.419 9.888 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.936 -4.466 8.515 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.102 -3.472 8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.767 -2.109 9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.730 -3.308 11.467 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.942 -4.391 12.160 1.00 0.00 H new ATOM 301 N ASN A 19 7.206 -1.975 6.524 1.00 0.00 N ATOM 302 CA ASN A 19 8.148 -1.093 5.806 1.00 0.00 C ATOM 303 C ASN A 19 7.313 -0.129 4.980 1.00 0.00 C ATOM 304 O ASN A 19 7.716 0.974 4.662 1.00 0.00 O ATOM 305 CB ASN A 19 8.970 -2.023 4.911 1.00 0.00 C ATOM 306 CG ASN A 19 10.377 -2.179 5.491 1.00 0.00 C ATOM 307 OD1 ASN A 19 10.636 -1.772 6.606 1.00 0.00 O ATOM 308 ND2 ASN A 19 11.302 -2.758 4.776 1.00 0.00 N ATOM 0 H ASN A 19 7.288 -2.968 6.308 1.00 0.00 H new ATOM 0 HA ASN A 19 8.806 -0.516 6.456 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.485 -2.997 4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.025 -1.618 3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.243 -2.869 5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.084 -3.100 3.840 1.00 0.00 H new ATOM 315 N LEU A 20 6.124 -0.549 4.667 1.00 0.00 N ATOM 316 CA LEU A 20 5.198 0.311 3.889 1.00 0.00 C ATOM 317 C LEU A 20 4.351 1.128 4.853 1.00 0.00 C ATOM 318 O LEU A 20 3.727 2.102 4.483 1.00 0.00 O ATOM 319 CB LEU A 20 4.341 -0.654 3.064 1.00 0.00 C ATOM 320 CG LEU A 20 3.026 0.023 2.667 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.319 1.195 1.731 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.131 -0.988 1.949 1.00 0.00 C ATOM 0 H LEU A 20 5.750 -1.463 4.920 1.00 0.00 H new ATOM 0 HA LEU A 20 5.715 1.017 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.884 -0.964 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.136 -1.556 3.641 1.00 0.00 H new ATOM 0 HG LEU A 20 2.521 0.388 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.383 1.677 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.959 1.916 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.824 0.829 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.194 -0.508 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.637 -1.352 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.922 -1.826 2.614 1.00 0.00 H new ATOM 334 N ASN A 21 4.366 0.764 6.102 1.00 0.00 N ATOM 335 CA ASN A 21 3.618 1.539 7.100 1.00 0.00 C ATOM 336 C ASN A 21 4.584 2.544 7.648 1.00 0.00 C ATOM 337 O ASN A 21 4.243 3.644 8.009 1.00 0.00 O ATOM 338 CB ASN A 21 3.196 0.549 8.177 1.00 0.00 C ATOM 339 CG ASN A 21 1.813 -0.012 7.844 1.00 0.00 C ATOM 340 OD1 ASN A 21 1.506 -0.266 6.601 1.00 0.00 O flip ATOM 341 ND2 ASN A 21 1.002 -0.223 8.724 1.00 0.00 N flip ATOM 0 H ASN A 21 4.870 -0.044 6.468 1.00 0.00 H new ATOM 0 HA ASN A 21 2.738 2.047 6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.922 -0.261 8.245 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.176 1.041 9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.241 -0.025 9.696 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.083 -0.598 8.491 1.00 0.00 H new ATOM 348 N ASP A 22 5.817 2.161 7.671 1.00 0.00 N ATOM 349 CA ASP A 22 6.847 3.084 8.157 1.00 0.00 C ATOM 350 C ASP A 22 6.940 4.216 7.158 1.00 0.00 C ATOM 351 O ASP A 22 7.164 5.364 7.487 1.00 0.00 O ATOM 352 CB ASP A 22 8.143 2.275 8.224 1.00 0.00 C ATOM 353 CG ASP A 22 9.043 2.837 9.326 1.00 0.00 C ATOM 354 OD1 ASP A 22 9.787 3.761 9.042 1.00 0.00 O ATOM 355 OD2 ASP A 22 8.971 2.334 10.435 1.00 0.00 O ATOM 0 H ASP A 22 6.153 1.245 7.373 1.00 0.00 H new ATOM 0 HA ASP A 22 6.634 3.508 9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.919 1.227 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.658 2.315 7.264 1.00 0.00 H new ATOM 360 N THR A 23 6.710 3.875 5.935 1.00 0.00 N ATOM 361 CA THR A 23 6.708 4.878 4.847 1.00 0.00 C ATOM 362 C THR A 23 5.412 5.672 4.935 1.00 0.00 C ATOM 363 O THR A 23 5.384 6.877 4.794 1.00 0.00 O ATOM 364 CB THR A 23 6.698 4.038 3.585 1.00 0.00 C ATOM 365 OG1 THR A 23 7.918 3.318 3.479 1.00 0.00 O ATOM 366 CG2 THR A 23 6.518 4.937 2.361 1.00 0.00 C ATOM 0 H THR A 23 6.518 2.920 5.633 1.00 0.00 H new ATOM 0 HA THR A 23 7.546 5.573 4.886 1.00 0.00 H new ATOM 0 HB THR A 23 5.868 3.333 3.632 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.852 2.486 3.993 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.512 4.326 1.458 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.574 5.476 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.340 5.651 2.310 1.00 0.00 H new ATOM 374 N LEU A 24 4.331 4.978 5.188 1.00 0.00 N ATOM 375 CA LEU A 24 3.018 5.653 5.309 1.00 0.00 C ATOM 376 C LEU A 24 2.980 6.397 6.635 1.00 0.00 C ATOM 377 O LEU A 24 2.271 7.371 6.799 1.00 0.00 O ATOM 378 CB LEU A 24 1.987 4.523 5.300 1.00 0.00 C ATOM 379 CG LEU A 24 1.435 4.338 3.887 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.550 3.091 3.847 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.604 5.564 3.502 1.00 0.00 C ATOM 0 H LEU A 24 4.309 3.966 5.316 1.00 0.00 H new ATOM 0 HA LEU A 24 2.827 6.371 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.446 3.597 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.175 4.753 5.990 1.00 0.00 H new ATOM 0 HG LEU A 24 2.260 4.222 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.155 2.957 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.140 2.217 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.276 3.209 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.209 5.434 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.222 5.678 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.232 6.454 3.534 1.00 0.00 H new ATOM 393 N LEU A 25 3.749 5.943 7.585 1.00 0.00 N ATOM 394 CA LEU A 25 3.761 6.631 8.908 1.00 0.00 C ATOM 395 C LEU A 25 4.655 7.845 8.845 1.00 0.00 C ATOM 396 O LEU A 25 4.518 8.777 9.601 1.00 0.00 O ATOM 397 CB LEU A 25 4.291 5.608 9.896 1.00 0.00 C ATOM 398 CG LEU A 25 3.198 4.582 10.126 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.810 3.286 10.656 1.00 0.00 C ATOM 400 CD2 LEU A 25 2.193 5.142 11.134 1.00 0.00 C ATOM 0 H LEU A 25 4.364 5.133 7.505 1.00 0.00 H new ATOM 0 HA LEU A 25 2.772 6.982 9.203 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.189 5.129 9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.568 6.089 10.834 1.00 0.00 H new ATOM 0 HG LEU A 25 2.688 4.368 9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.021 2.552 10.820 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.523 2.897 9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.323 3.484 11.597 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.403 4.410 11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.701 5.354 12.075 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.757 6.061 10.741 1.00 0.00 H new ATOM 412 N GLU A 26 5.522 7.865 7.902 1.00 0.00 N ATOM 413 CA GLU A 26 6.382 9.049 7.723 1.00 0.00 C ATOM 414 C GLU A 26 5.674 9.922 6.725 1.00 0.00 C ATOM 415 O GLU A 26 5.839 11.124 6.673 1.00 0.00 O ATOM 416 CB GLU A 26 7.713 8.525 7.187 1.00 0.00 C ATOM 417 CG GLU A 26 8.447 7.766 8.294 1.00 0.00 C ATOM 418 CD GLU A 26 9.295 8.745 9.108 1.00 0.00 C ATOM 419 OE1 GLU A 26 9.493 9.856 8.643 1.00 0.00 O ATOM 420 OE2 GLU A 26 9.734 8.368 10.181 1.00 0.00 O ATOM 0 H GLU A 26 5.679 7.108 7.237 1.00 0.00 H new ATOM 0 HA GLU A 26 6.568 9.623 8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.540 7.868 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.326 9.354 6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.729 7.264 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.081 6.992 7.861 1.00 0.00 H new ATOM 427 N LEU A 27 4.857 9.295 5.939 1.00 0.00 N ATOM 428 CA LEU A 27 4.089 10.032 4.939 1.00 0.00 C ATOM 429 C LEU A 27 2.972 10.800 5.632 1.00 0.00 C ATOM 430 O LEU A 27 2.498 11.804 5.147 1.00 0.00 O ATOM 431 CB LEU A 27 3.526 8.972 3.993 1.00 0.00 C ATOM 432 CG LEU A 27 2.447 9.597 3.110 1.00 0.00 C ATOM 433 CD1 LEU A 27 3.093 10.598 2.153 1.00 0.00 C ATOM 434 CD2 LEU A 27 1.749 8.500 2.306 1.00 0.00 C ATOM 0 H LEU A 27 4.693 8.288 5.955 1.00 0.00 H new ATOM 0 HA LEU A 27 4.692 10.758 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.324 8.561 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.108 8.144 4.565 1.00 0.00 H new ATOM 0 HG LEU A 27 1.716 10.110 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.325 11.045 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.592 11.379 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.823 10.084 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.979 8.945 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.479 7.987 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.290 7.784 2.989 1.00 0.00 H new ATOM 446 N GLU A 28 2.557 10.346 6.779 1.00 0.00 N ATOM 447 CA GLU A 28 1.491 11.075 7.505 1.00 0.00 C ATOM 448 C GLU A 28 2.099 12.334 8.113 1.00 0.00 C ATOM 449 O GLU A 28 1.531 13.406 8.053 1.00 0.00 O ATOM 450 CB GLU A 28 1.013 10.102 8.577 1.00 0.00 C ATOM 451 CG GLU A 28 1.870 10.232 9.836 1.00 0.00 C ATOM 452 CD GLU A 28 1.388 9.236 10.892 1.00 0.00 C ATOM 453 OE1 GLU A 28 0.926 8.173 10.507 1.00 0.00 O ATOM 454 OE2 GLU A 28 1.488 9.551 12.066 1.00 0.00 O ATOM 0 H GLU A 28 2.909 9.507 7.241 1.00 0.00 H new ATOM 0 HA GLU A 28 0.660 11.389 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.031 10.301 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.064 9.081 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.917 10.045 9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.809 11.248 10.226 1.00 0.00 H new ATOM 461 N LYS A 29 3.283 12.218 8.652 1.00 0.00 N ATOM 462 CA LYS A 29 3.949 13.429 9.203 1.00 0.00 C ATOM 463 C LYS A 29 4.355 14.284 8.020 1.00 0.00 C ATOM 464 O LYS A 29 4.600 15.470 8.125 1.00 0.00 O ATOM 465 CB LYS A 29 5.186 12.943 9.952 1.00 0.00 C ATOM 466 CG LYS A 29 4.803 11.831 10.921 1.00 0.00 C ATOM 467 CD LYS A 29 5.999 10.903 11.097 1.00 0.00 C ATOM 468 CE LYS A 29 5.540 9.606 11.757 1.00 0.00 C ATOM 469 NZ LYS A 29 5.875 9.762 13.201 1.00 0.00 N ATOM 0 H LYS A 29 3.810 11.349 8.733 1.00 0.00 H new ATOM 0 HA LYS A 29 3.309 14.005 9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.931 12.580 9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.641 13.771 10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.507 12.252 11.882 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.947 11.275 10.539 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.454 10.691 10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.761 11.386 11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.471 9.449 11.616 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.048 8.744 11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.587 8.907 13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.900 9.902 13.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.371 10.586 13.587 1.00 0.00 H new ATOM 483 N ASN A 30 4.393 13.662 6.882 1.00 0.00 N ATOM 484 CA ASN A 30 4.746 14.388 5.630 1.00 0.00 C ATOM 485 C ASN A 30 3.953 13.782 4.495 1.00 0.00 C ATOM 486 O ASN A 30 4.449 13.002 3.707 1.00 0.00 O ATOM 487 CB ASN A 30 6.250 14.203 5.435 1.00 0.00 C ATOM 488 CG ASN A 30 6.869 15.524 4.975 1.00 0.00 C ATOM 489 OD1 ASN A 30 6.305 16.191 4.004 1.00 0.00 O flip ATOM 490 ND2 ASN A 30 7.876 15.954 5.502 1.00 0.00 N flip ATOM 0 H ASN A 30 4.193 12.669 6.760 1.00 0.00 H new ATOM 0 HA ASN A 30 4.511 15.452 5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.711 13.878 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.439 13.424 4.697 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.317 15.433 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.280 16.835 5.186 1.00 0.00 H new ATOM 497 N PRO A 31 2.714 14.151 4.502 1.00 0.00 N ATOM 498 CA PRO A 31 1.748 13.644 3.519 1.00 0.00 C ATOM 499 C PRO A 31 1.774 14.465 2.230 1.00 0.00 C ATOM 500 O PRO A 31 0.817 14.494 1.481 1.00 0.00 O ATOM 501 CB PRO A 31 0.434 13.800 4.258 1.00 0.00 C ATOM 502 CG PRO A 31 0.627 14.908 5.245 1.00 0.00 C ATOM 503 CD PRO A 31 2.100 15.088 5.446 1.00 0.00 C ATOM 0 HA PRO A 31 1.947 12.623 3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.374 14.035 3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.162 12.874 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.176 15.830 4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.139 14.668 6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.406 16.114 5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.391 14.866 6.473 1.00 0.00 H new ATOM 511 N GLU A 32 2.867 15.110 1.956 1.00 0.00 N ATOM 512 CA GLU A 32 2.973 15.910 0.705 1.00 0.00 C ATOM 513 C GLU A 32 4.367 15.710 0.119 1.00 0.00 C ATOM 514 O GLU A 32 4.768 16.381 -0.811 1.00 0.00 O ATOM 515 CB GLU A 32 2.753 17.380 1.096 1.00 0.00 C ATOM 516 CG GLU A 32 2.892 17.566 2.609 1.00 0.00 C ATOM 517 CD GLU A 32 3.028 19.053 2.932 1.00 0.00 C ATOM 518 OE1 GLU A 32 3.761 19.728 2.227 1.00 0.00 O ATOM 519 OE2 GLU A 32 2.396 19.495 3.878 1.00 0.00 O ATOM 0 H GLU A 32 3.699 15.119 2.547 1.00 0.00 H new ATOM 0 HA GLU A 32 2.238 15.608 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.477 18.011 0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.763 17.702 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.022 17.151 3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.764 17.023 2.974 1.00 0.00 H new ATOM 526 N ASP A 33 5.108 14.778 0.660 1.00 0.00 N ATOM 527 CA ASP A 33 6.471 14.518 0.143 1.00 0.00 C ATOM 528 C ASP A 33 6.410 13.425 -0.924 1.00 0.00 C ATOM 529 O ASP A 33 5.910 12.343 -0.689 1.00 0.00 O ATOM 530 CB ASP A 33 7.270 14.046 1.357 1.00 0.00 C ATOM 531 CG ASP A 33 8.759 14.010 1.010 1.00 0.00 C ATOM 532 OD1 ASP A 33 9.179 14.821 0.201 1.00 0.00 O ATOM 533 OD2 ASP A 33 9.455 13.171 1.558 1.00 0.00 O ATOM 0 H ASP A 33 4.821 14.187 1.440 1.00 0.00 H new ATOM 0 HA ASP A 33 6.924 15.396 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.099 14.716 2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.934 13.055 1.663 1.00 0.00 H new ATOM 538 N MET A 34 6.905 13.697 -2.097 1.00 0.00 N ATOM 539 CA MET A 34 6.860 12.671 -3.173 1.00 0.00 C ATOM 540 C MET A 34 7.762 11.489 -2.825 1.00 0.00 C ATOM 541 O MET A 34 7.775 10.487 -3.514 1.00 0.00 O ATOM 542 CB MET A 34 7.358 13.386 -4.428 1.00 0.00 C ATOM 543 CG MET A 34 6.185 13.614 -5.383 1.00 0.00 C ATOM 544 SD MET A 34 6.590 14.960 -6.525 1.00 0.00 S ATOM 545 CE MET A 34 4.893 15.484 -6.874 1.00 0.00 C ATOM 0 H MET A 34 7.338 14.583 -2.357 1.00 0.00 H new ATOM 0 HA MET A 34 5.858 12.265 -3.310 1.00 0.00 H new ATOM 0 HB2 MET A 34 7.814 14.339 -4.160 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.129 12.791 -4.917 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.973 12.701 -5.940 1.00 0.00 H new ATOM 0 HG3 MET A 34 5.285 13.860 -4.819 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.866 16.022 -7.822 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.247 14.608 -6.935 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.543 16.138 -6.076 1.00 0.00 H new ATOM 555 N GLU A 35 8.502 11.579 -1.757 1.00 0.00 N ATOM 556 CA GLU A 35 9.375 10.439 -1.375 1.00 0.00 C ATOM 557 C GLU A 35 8.527 9.385 -0.676 1.00 0.00 C ATOM 558 O GLU A 35 8.425 8.262 -1.126 1.00 0.00 O ATOM 559 CB GLU A 35 10.422 11.025 -0.429 1.00 0.00 C ATOM 560 CG GLU A 35 11.731 11.236 -1.190 1.00 0.00 C ATOM 561 CD GLU A 35 12.803 11.755 -0.230 1.00 0.00 C ATOM 562 OE1 GLU A 35 12.746 11.404 0.938 1.00 0.00 O ATOM 563 OE2 GLU A 35 13.664 12.495 -0.677 1.00 0.00 O ATOM 0 H GLU A 35 8.540 12.387 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 35 9.853 9.961 -2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.069 11.972 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.583 10.354 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.056 10.299 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.581 11.947 -2.003 1.00 0.00 H new ATOM 570 N LEU A 36 7.890 9.741 0.405 1.00 0.00 N ATOM 571 CA LEU A 36 7.027 8.747 1.089 1.00 0.00 C ATOM 572 C LEU A 36 5.851 8.422 0.176 1.00 0.00 C ATOM 573 O LEU A 36 5.244 7.376 0.273 1.00 0.00 O ATOM 574 CB LEU A 36 6.550 9.414 2.384 1.00 0.00 C ATOM 575 CG LEU A 36 7.710 10.146 3.077 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.444 10.209 4.579 1.00 0.00 C ATOM 577 CD2 LEU A 36 9.033 9.409 2.835 1.00 0.00 C ATOM 0 H LEU A 36 7.930 10.664 0.837 1.00 0.00 H new ATOM 0 HA LEU A 36 7.549 7.817 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.749 10.119 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.135 8.662 3.055 1.00 0.00 H new ATOM 0 HG LEU A 36 7.783 11.152 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.266 10.728 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.514 10.747 4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.363 9.197 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.843 9.942 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.964 8.397 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.233 9.363 1.765 1.00 0.00 H new ATOM 589 N ILE A 37 5.543 9.308 -0.736 1.00 0.00 N ATOM 590 CA ILE A 37 4.429 9.038 -1.676 1.00 0.00 C ATOM 591 C ILE A 37 4.938 8.111 -2.777 1.00 0.00 C ATOM 592 O ILE A 37 4.198 7.321 -3.330 1.00 0.00 O ATOM 593 CB ILE A 37 4.043 10.401 -2.243 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.247 11.178 -1.193 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.187 10.214 -3.497 1.00 0.00 C ATOM 596 CD1 ILE A 37 2.806 12.523 -1.775 1.00 0.00 C ATOM 0 H ILE A 37 6.016 10.202 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 37 3.573 8.556 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 37 4.945 10.955 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.376 10.601 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.857 11.337 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.913 11.189 -3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.754 9.659 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.284 9.660 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.239 13.075 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.684 13.100 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.180 12.353 -2.651 1.00 0.00 H new ATOM 608 N ASN A 38 6.207 8.188 -3.085 1.00 0.00 N ATOM 609 CA ASN A 38 6.764 7.293 -4.133 1.00 0.00 C ATOM 610 C ASN A 38 7.257 6.010 -3.484 1.00 0.00 C ATOM 611 O ASN A 38 7.246 4.949 -4.075 1.00 0.00 O ATOM 612 CB ASN A 38 7.918 8.071 -4.766 1.00 0.00 C ATOM 613 CG ASN A 38 8.559 7.228 -5.870 1.00 0.00 C ATOM 614 OD1 ASN A 38 9.666 6.748 -5.719 1.00 0.00 O ATOM 615 ND2 ASN A 38 7.908 7.027 -6.983 1.00 0.00 N ATOM 0 H ASN A 38 6.875 8.829 -2.657 1.00 0.00 H new ATOM 0 HA ASN A 38 6.026 7.013 -4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.553 9.012 -5.178 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.660 8.322 -4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.328 6.468 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.979 7.429 -7.110 1.00 0.00 H new ATOM 622 N GLU A 39 7.654 6.102 -2.256 1.00 0.00 N ATOM 623 CA GLU A 39 8.114 4.888 -1.532 1.00 0.00 C ATOM 624 C GLU A 39 6.890 4.068 -1.147 1.00 0.00 C ATOM 625 O GLU A 39 6.964 2.883 -0.886 1.00 0.00 O ATOM 626 CB GLU A 39 8.842 5.400 -0.291 1.00 0.00 C ATOM 627 CG GLU A 39 10.123 6.122 -0.713 1.00 0.00 C ATOM 628 CD GLU A 39 11.289 5.133 -0.712 1.00 0.00 C ATOM 629 OE1 GLU A 39 11.122 4.051 -1.251 1.00 0.00 O ATOM 630 OE2 GLU A 39 12.328 5.473 -0.172 1.00 0.00 O ATOM 0 H GLU A 39 7.682 6.967 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 39 8.771 4.255 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.197 6.078 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.082 4.569 0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.999 6.554 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.330 6.946 -0.030 1.00 0.00 H new ATOM 637 N ALA A 40 5.761 4.707 -1.137 1.00 0.00 N ATOM 638 CA ALA A 40 4.494 4.008 -0.801 1.00 0.00 C ATOM 639 C ALA A 40 3.865 3.466 -2.086 1.00 0.00 C ATOM 640 O ALA A 40 3.542 2.299 -2.183 1.00 0.00 O ATOM 641 CB ALA A 40 3.606 5.078 -0.167 1.00 0.00 C ATOM 0 H ALA A 40 5.659 5.699 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 40 4.638 3.163 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.648 4.638 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.094 5.475 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.442 5.885 -0.881 1.00 0.00 H new ATOM 647 N PHE A 41 3.703 4.300 -3.085 1.00 0.00 N ATOM 648 CA PHE A 41 3.114 3.809 -4.362 1.00 0.00 C ATOM 649 C PHE A 41 3.884 2.569 -4.829 1.00 0.00 C ATOM 650 O PHE A 41 3.355 1.716 -5.514 1.00 0.00 O ATOM 651 CB PHE A 41 3.288 4.970 -5.349 1.00 0.00 C ATOM 652 CG PHE A 41 3.260 4.450 -6.768 1.00 0.00 C ATOM 653 CD1 PHE A 41 4.410 3.876 -7.322 1.00 0.00 C ATOM 654 CD2 PHE A 41 2.087 4.539 -7.528 1.00 0.00 C ATOM 655 CE1 PHE A 41 4.390 3.392 -8.634 1.00 0.00 C ATOM 656 CE2 PHE A 41 2.067 4.054 -8.842 1.00 0.00 C ATOM 657 CZ PHE A 41 3.218 3.480 -9.395 1.00 0.00 C ATOM 0 H PHE A 41 3.952 5.289 -3.069 1.00 0.00 H new ATOM 0 HA PHE A 41 2.067 3.522 -4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.494 5.702 -5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.231 5.482 -5.159 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.314 3.807 -6.735 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.199 4.981 -7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.279 2.950 -9.060 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.163 4.123 -9.429 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.202 3.105 -10.408 1.00 0.00 H new ATOM 667 N ARG A 42 5.132 2.466 -4.457 1.00 0.00 N ATOM 668 CA ARG A 42 5.944 1.287 -4.869 1.00 0.00 C ATOM 669 C ARG A 42 5.600 0.082 -3.989 1.00 0.00 C ATOM 670 O ARG A 42 5.102 -0.920 -4.461 1.00 0.00 O ATOM 671 CB ARG A 42 7.397 1.710 -4.649 1.00 0.00 C ATOM 672 CG ARG A 42 7.867 2.564 -5.829 1.00 0.00 C ATOM 673 CD ARG A 42 9.267 3.109 -5.538 1.00 0.00 C ATOM 674 NE ARG A 42 10.186 2.264 -6.350 1.00 0.00 N ATOM 675 CZ ARG A 42 10.626 2.696 -7.500 1.00 0.00 C ATOM 676 NH1 ARG A 42 9.785 2.962 -8.462 1.00 0.00 N ATOM 677 NH2 ARG A 42 11.906 2.865 -7.690 1.00 0.00 N ATOM 0 H ARG A 42 5.625 3.151 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 42 5.757 0.995 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.486 2.274 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.032 0.829 -4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.880 1.968 -6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.172 3.387 -5.996 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.347 4.160 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.504 3.042 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 42 10.472 1.347 -6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.784 2.832 -8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.129 3.300 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.565 2.659 -6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.248 3.203 -8.590 1.00 0.00 H new ATOM 691 N ALA A 43 5.864 0.177 -2.712 1.00 0.00 N ATOM 692 CA ALA A 43 5.554 -0.958 -1.794 1.00 0.00 C ATOM 693 C ALA A 43 4.205 -1.577 -2.160 1.00 0.00 C ATOM 694 O ALA A 43 4.089 -2.774 -2.328 1.00 0.00 O ATOM 695 CB ALA A 43 5.496 -0.337 -0.399 1.00 0.00 C ATOM 0 H ALA A 43 6.282 0.993 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 43 6.297 -1.753 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.272 -1.111 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.458 0.119 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.717 0.425 -0.372 1.00 0.00 H new ATOM 701 N LEU A 44 3.188 -0.774 -2.299 1.00 0.00 N ATOM 702 CA LEU A 44 1.856 -1.326 -2.665 1.00 0.00 C ATOM 703 C LEU A 44 1.922 -1.899 -4.079 1.00 0.00 C ATOM 704 O LEU A 44 1.375 -2.946 -4.364 1.00 0.00 O ATOM 705 CB LEU A 44 0.897 -0.137 -2.603 1.00 0.00 C ATOM 706 CG LEU A 44 0.547 0.164 -1.146 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.088 1.618 -1.022 1.00 0.00 C ATOM 708 CD2 LEU A 44 -0.579 -0.767 -0.691 1.00 0.00 C ATOM 0 H LEU A 44 3.222 0.238 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 44 1.533 -2.128 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.355 0.737 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.009 -0.358 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 44 1.425 0.006 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.162 1.833 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.889 2.281 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.791 1.777 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.830 -0.554 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.457 -0.608 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.253 -1.803 -0.780 1.00 0.00 H new ATOM 720 N HIS A 45 2.614 -1.232 -4.961 1.00 0.00 N ATOM 721 CA HIS A 45 2.742 -1.752 -6.348 1.00 0.00 C ATOM 722 C HIS A 45 3.580 -3.026 -6.308 1.00 0.00 C ATOM 723 O HIS A 45 3.391 -3.942 -7.083 1.00 0.00 O ATOM 724 CB HIS A 45 3.465 -0.648 -7.121 1.00 0.00 C ATOM 725 CG HIS A 45 3.890 -1.172 -8.466 1.00 0.00 C ATOM 726 ND1 HIS A 45 5.125 -0.874 -9.018 1.00 0.00 N ATOM 727 CD2 HIS A 45 3.256 -1.979 -9.378 1.00 0.00 C ATOM 728 CE1 HIS A 45 5.195 -1.493 -10.212 1.00 0.00 C ATOM 729 NE2 HIS A 45 4.083 -2.181 -10.480 1.00 0.00 N ATOM 0 H HIS A 45 3.095 -0.351 -4.780 1.00 0.00 H new ATOM 0 HA HIS A 45 1.786 -1.994 -6.812 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.808 0.213 -7.245 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.335 -0.307 -6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.266 -2.394 -9.259 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.048 -1.439 -10.873 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.882 -2.735 -11.312 1.00 0.00 H new ATOM 737 N THR A 46 4.497 -3.089 -5.383 1.00 0.00 N ATOM 738 CA THR A 46 5.351 -4.297 -5.246 1.00 0.00 C ATOM 739 C THR A 46 4.574 -5.370 -4.473 1.00 0.00 C ATOM 740 O THR A 46 4.617 -6.540 -4.797 1.00 0.00 O ATOM 741 CB THR A 46 6.588 -3.799 -4.472 1.00 0.00 C ATOM 742 OG1 THR A 46 7.668 -3.635 -5.378 1.00 0.00 O ATOM 743 CG2 THR A 46 6.992 -4.795 -3.379 1.00 0.00 C ATOM 0 H THR A 46 4.691 -2.347 -4.711 1.00 0.00 H new ATOM 0 HA THR A 46 5.641 -4.750 -6.194 1.00 0.00 H new ATOM 0 HB THR A 46 6.342 -2.849 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.457 -3.317 -4.892 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.867 -4.419 -2.849 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.168 -4.919 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.229 -5.757 -3.833 1.00 0.00 H new ATOM 751 N LEU A 47 3.851 -4.974 -3.459 1.00 0.00 N ATOM 752 CA LEU A 47 3.063 -5.965 -2.675 1.00 0.00 C ATOM 753 C LEU A 47 1.814 -6.364 -3.464 1.00 0.00 C ATOM 754 O LEU A 47 1.393 -7.505 -3.447 1.00 0.00 O ATOM 755 CB LEU A 47 2.686 -5.243 -1.380 1.00 0.00 C ATOM 756 CG LEU A 47 3.622 -5.696 -0.260 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.548 -4.706 0.903 1.00 0.00 C ATOM 758 CD2 LEU A 47 3.200 -7.085 0.222 1.00 0.00 C ATOM 0 H LEU A 47 3.773 -4.008 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 47 3.620 -6.880 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.759 -4.164 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.651 -5.462 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 47 4.645 -5.735 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.216 -5.031 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.849 -3.717 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.526 -4.664 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.866 -7.411 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.177 -7.045 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.256 -7.790 -0.607 1.00 0.00 H new ATOM 770 N LYS A 48 1.226 -5.435 -4.167 1.00 0.00 N ATOM 771 CA LYS A 48 0.015 -5.760 -4.972 1.00 0.00 C ATOM 772 C LYS A 48 0.365 -6.812 -6.028 1.00 0.00 C ATOM 773 O LYS A 48 -0.413 -7.698 -6.320 1.00 0.00 O ATOM 774 CB LYS A 48 -0.376 -4.437 -5.630 1.00 0.00 C ATOM 775 CG LYS A 48 -1.375 -4.692 -6.757 1.00 0.00 C ATOM 776 CD LYS A 48 -0.850 -4.063 -8.047 1.00 0.00 C ATOM 777 CE LYS A 48 0.153 -5.009 -8.707 1.00 0.00 C ATOM 778 NZ LYS A 48 -0.073 -4.844 -10.169 1.00 0.00 N ATOM 0 H LYS A 48 1.533 -4.464 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.797 -6.170 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.813 -3.768 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.511 -3.941 -6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.521 -5.763 -6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.346 -4.268 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.677 -3.861 -8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.375 -3.106 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.177 -4.753 -8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.012 -6.040 -8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.579 -5.462 -10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.054 -5.101 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.098 -3.854 -10.437 1.00 0.00 H new ATOM 792 N GLY A 49 1.537 -6.723 -6.597 1.00 0.00 N ATOM 793 CA GLY A 49 1.940 -7.718 -7.628 1.00 0.00 C ATOM 794 C GLY A 49 2.160 -9.076 -6.960 1.00 0.00 C ATOM 795 O GLY A 49 1.700 -10.095 -7.436 1.00 0.00 O ATOM 0 H GLY A 49 2.231 -6.004 -6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.169 -7.797 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.853 -7.393 -8.127 1.00 0.00 H new ATOM 799 N MET A 50 2.857 -9.097 -5.857 1.00 0.00 N ATOM 800 CA MET A 50 3.103 -10.389 -5.155 1.00 0.00 C ATOM 801 C MET A 50 1.775 -11.026 -4.738 1.00 0.00 C ATOM 802 O MET A 50 1.643 -12.231 -4.687 1.00 0.00 O ATOM 803 CB MET A 50 3.925 -10.017 -3.922 1.00 0.00 C ATOM 804 CG MET A 50 5.385 -9.799 -4.326 1.00 0.00 C ATOM 805 SD MET A 50 6.456 -10.063 -2.891 1.00 0.00 S ATOM 806 CE MET A 50 5.409 -9.230 -1.672 1.00 0.00 C ATOM 0 H MET A 50 3.267 -8.276 -5.412 1.00 0.00 H new ATOM 0 HA MET A 50 3.618 -11.111 -5.788 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.525 -9.112 -3.465 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.858 -10.808 -3.175 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.658 -10.485 -5.128 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.519 -8.789 -4.712 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.925 -9.195 -0.713 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.197 -8.215 -2.008 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.473 -9.778 -1.561 1.00 0.00 H new ATOM 816 N ALA A 51 0.786 -10.227 -4.442 1.00 0.00 N ATOM 817 CA ALA A 51 -0.529 -10.794 -4.032 1.00 0.00 C ATOM 818 C ALA A 51 -1.405 -11.021 -5.261 1.00 0.00 C ATOM 819 O ALA A 51 -2.491 -11.552 -5.169 1.00 0.00 O ATOM 820 CB ALA A 51 -1.154 -9.742 -3.116 1.00 0.00 C ATOM 0 H ALA A 51 0.832 -9.208 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.424 -11.755 -3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.128 -10.091 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.505 -9.576 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.275 -8.808 -3.664 1.00 0.00 H new ATOM 826 N GLY A 52 -0.943 -10.624 -6.414 1.00 0.00 N ATOM 827 CA GLY A 52 -1.756 -10.819 -7.645 1.00 0.00 C ATOM 828 C GLY A 52 -1.489 -12.207 -8.233 1.00 0.00 C ATOM 829 O GLY A 52 -1.522 -12.401 -9.432 1.00 0.00 O ATOM 0 H GLY A 52 -0.039 -10.174 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.815 -10.711 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.511 -10.051 -8.378 1.00 0.00 H new ATOM 871 N PHE A 56 -3.448 -13.663 -4.276 1.00 0.00 N ATOM 872 CA PHE A 56 -4.771 -13.486 -4.937 1.00 0.00 C ATOM 873 C PHE A 56 -5.002 -12.006 -5.236 1.00 0.00 C ATOM 874 O PHE A 56 -4.966 -11.170 -4.356 1.00 0.00 O ATOM 875 CB PHE A 56 -5.806 -14.009 -3.942 1.00 0.00 C ATOM 876 CG PHE A 56 -6.526 -15.187 -4.547 1.00 0.00 C ATOM 877 CD1 PHE A 56 -7.566 -14.979 -5.460 1.00 0.00 C ATOM 878 CD2 PHE A 56 -6.150 -16.489 -4.198 1.00 0.00 C ATOM 879 CE1 PHE A 56 -8.231 -16.073 -6.024 1.00 0.00 C ATOM 880 CE2 PHE A 56 -6.816 -17.585 -4.761 1.00 0.00 C ATOM 881 CZ PHE A 56 -7.856 -17.376 -5.674 1.00 0.00 C ATOM 0 HA PHE A 56 -4.834 -14.021 -5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.318 -14.304 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.518 -13.222 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.855 -13.974 -5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.346 -16.649 -3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.033 -15.913 -6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.527 -18.590 -4.491 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.370 -18.220 -6.109 1.00 0.00 H new ATOM 891 N SER A 57 -5.227 -11.677 -6.476 1.00 0.00 N ATOM 892 CA SER A 57 -5.448 -10.251 -6.843 1.00 0.00 C ATOM 893 C SER A 57 -6.636 -9.683 -6.078 1.00 0.00 C ATOM 894 O SER A 57 -6.833 -8.486 -6.017 1.00 0.00 O ATOM 895 CB SER A 57 -5.722 -10.261 -8.341 1.00 0.00 C ATOM 896 OG SER A 57 -4.758 -11.079 -8.990 1.00 0.00 O ATOM 0 H SER A 57 -5.268 -12.336 -7.254 1.00 0.00 H new ATOM 0 HA SER A 57 -4.590 -9.626 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.726 -10.638 -8.536 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.680 -9.246 -8.737 1.00 0.00 H new ATOM 0 HG SER A 57 -4.933 -11.089 -9.954 1.00 0.00 H new ATOM 902 N SER A 58 -7.416 -10.528 -5.478 1.00 0.00 N ATOM 903 CA SER A 58 -8.572 -10.024 -4.698 1.00 0.00 C ATOM 904 C SER A 58 -8.032 -9.124 -3.598 1.00 0.00 C ATOM 905 O SER A 58 -8.584 -8.088 -3.288 1.00 0.00 O ATOM 906 CB SER A 58 -9.242 -11.265 -4.111 1.00 0.00 C ATOM 907 OG SER A 58 -10.641 -11.205 -4.359 1.00 0.00 O ATOM 0 H SER A 58 -7.305 -11.542 -5.493 1.00 0.00 H new ATOM 0 HA SER A 58 -9.284 -9.451 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.820 -12.166 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.053 -11.322 -3.039 1.00 0.00 H new ATOM 0 HG SER A 58 -11.074 -12.001 -3.985 1.00 0.00 H new ATOM 913 N MET A 59 -6.930 -9.513 -3.026 1.00 0.00 N ATOM 914 CA MET A 59 -6.309 -8.691 -1.964 1.00 0.00 C ATOM 915 C MET A 59 -5.199 -7.842 -2.581 1.00 0.00 C ATOM 916 O MET A 59 -4.823 -6.808 -2.061 1.00 0.00 O ATOM 917 CB MET A 59 -5.741 -9.702 -0.968 1.00 0.00 C ATOM 918 CG MET A 59 -4.981 -8.966 0.137 1.00 0.00 C ATOM 919 SD MET A 59 -3.664 -10.031 0.773 1.00 0.00 S ATOM 920 CE MET A 59 -2.828 -10.328 -0.803 1.00 0.00 C ATOM 0 H MET A 59 -6.431 -10.373 -3.253 1.00 0.00 H new ATOM 0 HA MET A 59 -7.008 -8.010 -1.479 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.548 -10.294 -0.536 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.075 -10.397 -1.480 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.559 -8.040 -0.252 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.663 -8.692 0.942 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.759 -10.449 -0.630 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.226 -11.233 -1.261 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.994 -9.481 -1.468 1.00 0.00 H new ATOM 930 N ALA A 60 -4.681 -8.266 -3.702 1.00 0.00 N ATOM 931 CA ALA A 60 -3.606 -7.483 -4.365 1.00 0.00 C ATOM 932 C ALA A 60 -4.227 -6.349 -5.171 1.00 0.00 C ATOM 933 O ALA A 60 -3.645 -5.296 -5.321 1.00 0.00 O ATOM 934 CB ALA A 60 -2.883 -8.475 -5.276 1.00 0.00 C ATOM 0 H ALA A 60 -4.957 -9.121 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.916 -7.030 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.074 -7.965 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.472 -9.287 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.587 -8.881 -6.003 1.00 0.00 H new ATOM 940 N LYS A 61 -5.423 -6.532 -5.661 1.00 0.00 N ATOM 941 CA LYS A 61 -6.072 -5.433 -6.411 1.00 0.00 C ATOM 942 C LYS A 61 -6.489 -4.376 -5.399 1.00 0.00 C ATOM 943 O LYS A 61 -6.663 -3.216 -5.716 1.00 0.00 O ATOM 944 CB LYS A 61 -7.279 -6.069 -7.093 1.00 0.00 C ATOM 945 CG LYS A 61 -7.982 -5.023 -7.955 1.00 0.00 C ATOM 946 CD LYS A 61 -9.341 -4.708 -7.341 1.00 0.00 C ATOM 947 CE LYS A 61 -10.295 -5.876 -7.596 1.00 0.00 C ATOM 948 NZ LYS A 61 -10.688 -5.744 -9.027 1.00 0.00 N ATOM 0 H LYS A 61 -5.970 -7.388 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.430 -4.957 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.961 -6.910 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.968 -6.463 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.378 -4.118 -8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.105 -5.394 -8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.237 -4.535 -6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.745 -3.793 -7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.808 -6.833 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.165 -5.826 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.725 -5.744 -9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.312 -4.853 -9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.301 -6.543 -9.568 1.00 0.00 H new ATOM 962 N LEU A 62 -6.609 -4.782 -4.164 1.00 0.00 N ATOM 963 CA LEU A 62 -6.966 -3.830 -3.091 1.00 0.00 C ATOM 964 C LEU A 62 -5.741 -2.970 -2.792 1.00 0.00 C ATOM 965 O LEU A 62 -5.844 -1.797 -2.500 1.00 0.00 O ATOM 966 CB LEU A 62 -7.313 -4.715 -1.897 1.00 0.00 C ATOM 967 CG LEU A 62 -7.524 -3.847 -0.658 1.00 0.00 C ATOM 968 CD1 LEU A 62 -8.736 -2.938 -0.871 1.00 0.00 C ATOM 969 CD2 LEU A 62 -7.772 -4.743 0.557 1.00 0.00 C ATOM 0 H LEU A 62 -6.472 -5.745 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.790 -3.164 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.215 -5.290 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.512 -5.432 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.636 -3.238 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.886 -2.319 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.564 -2.299 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.623 -3.548 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.923 -4.124 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.660 -5.352 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.911 -5.393 0.712 1.00 0.00 H new ATOM 981 N CYS A 63 -4.573 -3.553 -2.882 1.00 0.00 N ATOM 982 CA CYS A 63 -3.329 -2.778 -2.625 1.00 0.00 C ATOM 983 C CYS A 63 -3.056 -1.836 -3.799 1.00 0.00 C ATOM 984 O CYS A 63 -2.619 -0.717 -3.618 1.00 0.00 O ATOM 985 CB CYS A 63 -2.223 -3.828 -2.510 1.00 0.00 C ATOM 986 SG CYS A 63 -2.254 -4.558 -0.854 1.00 0.00 S ATOM 0 H CYS A 63 -4.430 -4.534 -3.123 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.397 -2.164 -1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.363 -4.603 -3.263 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.252 -3.371 -2.699 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.330 -4.011 -0.121 1.00 0.00 H new ATOM 992 N HIS A 64 -3.327 -2.270 -5.004 1.00 0.00 N ATOM 993 CA HIS A 64 -3.094 -1.380 -6.175 1.00 0.00 C ATOM 994 C HIS A 64 -3.926 -0.118 -5.998 1.00 0.00 C ATOM 995 O HIS A 64 -3.488 0.979 -6.276 1.00 0.00 O ATOM 996 CB HIS A 64 -3.571 -2.170 -7.396 1.00 0.00 C ATOM 997 CG HIS A 64 -3.767 -1.236 -8.561 1.00 0.00 C ATOM 998 ND1 HIS A 64 -2.701 -0.640 -9.218 1.00 0.00 N ATOM 999 CD2 HIS A 64 -4.898 -0.789 -9.198 1.00 0.00 C ATOM 1000 CE1 HIS A 64 -3.209 0.126 -10.201 1.00 0.00 C ATOM 1001 NE2 HIS A 64 -4.543 0.071 -10.233 1.00 0.00 N ATOM 0 H HIS A 64 -3.696 -3.195 -5.224 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.050 -1.087 -6.283 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.841 -2.938 -7.652 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.505 -2.682 -7.167 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.909 -1.063 -8.936 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.611 0.714 -10.881 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.168 0.555 -10.878 1.00 0.00 H new ATOM 1009 N THR A 65 -5.130 -0.273 -5.524 1.00 0.00 N ATOM 1010 CA THR A 65 -5.995 0.916 -5.314 1.00 0.00 C ATOM 1011 C THR A 65 -5.303 1.884 -4.346 1.00 0.00 C ATOM 1012 O THR A 65 -5.169 3.060 -4.619 1.00 0.00 O ATOM 1013 CB THR A 65 -7.312 0.355 -4.745 1.00 0.00 C ATOM 1014 OG1 THR A 65 -8.404 0.951 -5.428 1.00 0.00 O ATOM 1015 CG2 THR A 65 -7.439 0.645 -3.245 1.00 0.00 C ATOM 0 H THR A 65 -5.550 -1.169 -5.274 1.00 0.00 H new ATOM 0 HA THR A 65 -6.185 1.482 -6.226 1.00 0.00 H new ATOM 0 HB THR A 65 -7.315 -0.726 -4.887 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.854 1.586 -4.833 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.379 0.236 -2.874 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.607 0.183 -2.713 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.421 1.722 -3.080 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.830 1.385 -3.234 1.00 0.00 N ATOM 1024 CA LEU A 66 -4.113 2.266 -2.267 1.00 0.00 C ATOM 1025 C LEU A 66 -3.007 2.989 -3.024 1.00 0.00 C ATOM 1026 O LEU A 66 -2.875 4.194 -2.965 1.00 0.00 O ATOM 1027 CB LEU A 66 -3.512 1.309 -1.234 1.00 0.00 C ATOM 1028 CG LEU A 66 -4.608 0.413 -0.645 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -4.107 -0.211 0.658 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -5.862 1.242 -0.353 1.00 0.00 C ATOM 0 H LEU A 66 -4.909 0.407 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.754 3.010 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.741 0.695 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.029 1.877 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.852 -0.370 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.885 -0.849 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.218 -0.808 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.861 0.578 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.635 0.597 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.620 2.029 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.225 1.691 -1.278 1.00 0.00 H new ATOM 1042 N GLU A 67 -2.227 2.241 -3.757 1.00 0.00 N ATOM 1043 CA GLU A 67 -1.125 2.841 -4.554 1.00 0.00 C ATOM 1044 C GLU A 67 -1.704 3.769 -5.615 1.00 0.00 C ATOM 1045 O GLU A 67 -1.068 4.707 -6.052 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.433 1.642 -5.205 1.00 0.00 C ATOM 1047 CG GLU A 67 0.383 2.103 -6.416 1.00 0.00 C ATOM 1048 CD GLU A 67 -0.413 1.844 -7.696 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -1.602 1.597 -7.593 1.00 0.00 O ATOM 1050 OE2 GLU A 67 0.183 1.896 -8.761 1.00 0.00 O ATOM 0 H GLU A 67 -2.310 1.227 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.438 3.435 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.219 1.151 -4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.176 0.907 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.616 3.164 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.333 1.570 -6.452 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.916 3.526 -6.020 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.541 4.405 -7.033 1.00 0.00 C ATOM 1059 C ASN A 68 -3.671 5.789 -6.437 1.00 0.00 C ATOM 1060 O ASN A 68 -3.381 6.789 -7.063 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.919 3.818 -7.266 1.00 0.00 C ATOM 1062 CG ASN A 68 -5.149 3.602 -8.763 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -4.876 2.442 -9.292 1.00 0.00 O flip ATOM 1064 ND2 ASN A 68 -5.585 4.499 -9.457 1.00 0.00 N flip ATOM 0 H ASN A 68 -3.498 2.756 -5.691 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.968 4.471 -7.958 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.015 2.871 -6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.681 4.487 -6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.799 5.406 -9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.738 4.345 -10.454 1.00 0.00 H new ATOM 1071 N ILE A 69 -4.089 5.844 -5.207 1.00 0.00 N ATOM 1072 CA ILE A 69 -4.219 7.153 -4.542 1.00 0.00 C ATOM 1073 C ILE A 69 -2.829 7.731 -4.424 1.00 0.00 C ATOM 1074 O ILE A 69 -2.568 8.886 -4.667 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.797 6.845 -3.164 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -6.293 6.595 -3.300 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -4.551 8.026 -2.223 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.524 5.218 -3.911 1.00 0.00 C ATOM 0 H ILE A 69 -4.345 5.037 -4.639 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.852 7.863 -5.074 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.313 5.960 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.773 6.657 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.746 7.363 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.966 7.801 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.479 8.202 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.033 8.918 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.595 5.038 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.057 5.174 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.085 4.456 -3.267 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.930 6.889 -4.087 1.00 0.00 N ATOM 1091 CA LEU A 70 -0.518 7.323 -3.985 1.00 0.00 C ATOM 1092 C LEU A 70 -0.052 7.733 -5.367 1.00 0.00 C ATOM 1093 O LEU A 70 0.904 8.466 -5.529 1.00 0.00 O ATOM 1094 CB LEU A 70 0.264 6.116 -3.456 1.00 0.00 C ATOM 1095 CG LEU A 70 -0.320 5.642 -2.113 1.00 0.00 C ATOM 1096 CD1 LEU A 70 0.789 5.018 -1.270 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -0.930 6.820 -1.340 1.00 0.00 C ATOM 0 H LEU A 70 -2.101 5.906 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.376 8.173 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.227 5.304 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.313 6.382 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.100 4.908 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.377 4.682 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.215 4.167 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.567 5.759 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.337 6.463 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.159 7.565 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.728 7.269 -1.932 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.757 7.296 -6.369 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.392 7.697 -7.747 1.00 0.00 C ATOM 1111 C ASP A 71 -0.932 9.101 -7.986 1.00 0.00 C ATOM 1112 O ASP A 71 -0.203 10.003 -8.345 1.00 0.00 O ATOM 1113 CB ASP A 71 -1.060 6.675 -8.669 1.00 0.00 C ATOM 1114 CG ASP A 71 -0.442 6.767 -10.066 1.00 0.00 C ATOM 1115 OD1 ASP A 71 0.750 6.534 -10.182 1.00 0.00 O ATOM 1116 OD2 ASP A 71 -1.172 7.069 -10.996 1.00 0.00 O ATOM 0 H ASP A 71 -1.567 6.681 -6.292 1.00 0.00 H new ATOM 0 HA ASP A 71 0.683 7.715 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.932 5.669 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.132 6.863 -8.721 1.00 0.00 H new ATOM 1121 N LYS A 72 -2.200 9.309 -7.749 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.753 10.672 -7.921 1.00 0.00 C ATOM 1123 C LYS A 72 -2.099 11.580 -6.888 1.00 0.00 C ATOM 1124 O LYS A 72 -1.964 12.772 -7.073 1.00 0.00 O ATOM 1125 CB LYS A 72 -4.258 10.528 -7.708 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.536 9.643 -6.498 1.00 0.00 C ATOM 1127 CD LYS A 72 -5.973 9.836 -6.097 1.00 0.00 C ATOM 1128 CE LYS A 72 -6.088 9.850 -4.572 1.00 0.00 C ATOM 1129 NZ LYS A 72 -7.461 9.349 -4.290 1.00 0.00 N ATOM 0 H LYS A 72 -2.866 8.598 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.561 11.111 -8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.707 11.510 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.719 10.097 -8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.346 8.597 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.873 9.906 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.352 10.772 -6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.586 9.035 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.332 9.213 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.944 10.854 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.481 8.901 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.131 10.144 -4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.731 8.651 -5.012 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.647 10.998 -5.820 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.941 11.783 -4.780 1.00 0.00 C ATOM 1145 C ALA A 73 0.368 12.297 -5.370 1.00 0.00 C ATOM 1146 O ALA A 73 0.762 13.426 -5.158 1.00 0.00 O ATOM 1147 CB ALA A 73 -0.657 10.784 -3.664 1.00 0.00 C ATOM 0 H ALA A 73 -1.737 10.002 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.514 12.638 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.133 11.286 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.597 10.376 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.037 9.975 -4.049 1.00 0.00 H new ATOM 1153 N ARG A 74 1.038 11.467 -6.127 1.00 0.00 N ATOM 1154 CA ARG A 74 2.316 11.898 -6.752 1.00 0.00 C ATOM 1155 C ARG A 74 2.022 12.567 -8.094 1.00 0.00 C ATOM 1156 O ARG A 74 2.829 13.302 -8.626 1.00 0.00 O ATOM 1157 CB ARG A 74 3.129 10.615 -6.950 1.00 0.00 C ATOM 1158 CG ARG A 74 2.470 9.747 -8.025 1.00 0.00 C ATOM 1159 CD ARG A 74 3.470 8.697 -8.518 1.00 0.00 C ATOM 1160 NE ARG A 74 4.065 9.283 -9.751 1.00 0.00 N ATOM 1161 CZ ARG A 74 3.305 9.565 -10.774 1.00 0.00 C ATOM 1162 NH1 ARG A 74 2.084 9.104 -10.826 1.00 0.00 N ATOM 1163 NH2 ARG A 74 3.766 10.302 -11.747 1.00 0.00 N ATOM 0 H ARG A 74 0.753 10.511 -6.337 1.00 0.00 H new ATOM 0 HA ARG A 74 2.860 12.617 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.150 10.861 -7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.191 10.064 -6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.584 9.259 -7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.139 10.369 -8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.234 8.496 -7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.975 7.749 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 74 5.068 9.464 -9.796 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.725 8.524 -10.068 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.489 9.324 -11.625 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.721 10.658 -11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.171 10.522 -12.546 1.00 0.00 H new ATOM 1177 N ASN A 75 0.859 12.323 -8.638 1.00 0.00 N ATOM 1178 CA ASN A 75 0.499 12.952 -9.940 1.00 0.00 C ATOM 1179 C ASN A 75 0.002 14.380 -9.704 1.00 0.00 C ATOM 1180 O ASN A 75 -0.415 15.062 -10.618 1.00 0.00 O ATOM 1181 CB ASN A 75 -0.620 12.082 -10.513 1.00 0.00 C ATOM 1182 CG ASN A 75 -0.114 11.366 -11.766 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -0.009 10.155 -11.788 1.00 0.00 O ATOM 1184 ND2 ASN A 75 0.207 12.067 -12.819 1.00 0.00 N ATOM 0 H ASN A 75 0.144 11.716 -8.237 1.00 0.00 H new ATOM 0 HA ASN A 75 1.348 13.012 -10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.946 11.353 -9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.486 12.698 -10.757 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.546 11.599 -13.660 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.119 13.083 -12.801 1.00 0.00 H new ATOM 1191 N SER A 76 0.051 14.834 -8.477 1.00 0.00 N ATOM 1192 CA SER A 76 -0.405 16.219 -8.156 1.00 0.00 C ATOM 1193 C SER A 76 -1.932 16.311 -8.187 1.00 0.00 C ATOM 1194 O SER A 76 -2.486 17.369 -8.409 1.00 0.00 O ATOM 1195 CB SER A 76 0.211 17.113 -9.235 1.00 0.00 C ATOM 1196 OG SER A 76 -0.792 17.468 -10.180 1.00 0.00 O ATOM 0 H SER A 76 0.391 14.299 -7.678 1.00 0.00 H new ATOM 0 HA SER A 76 -0.096 16.521 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.634 18.010 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.028 16.591 -9.733 1.00 0.00 H new ATOM 0 HG SER A 76 -0.885 16.752 -10.843 1.00 0.00 H new ATOM 1202 N GLU A 77 -2.628 15.226 -7.957 1.00 0.00 N ATOM 1203 CA GLU A 77 -4.113 15.305 -7.969 1.00 0.00 C ATOM 1204 C GLU A 77 -4.625 15.270 -6.541 1.00 0.00 C ATOM 1205 O GLU A 77 -5.693 15.762 -6.234 1.00 0.00 O ATOM 1206 CB GLU A 77 -4.629 14.084 -8.753 1.00 0.00 C ATOM 1207 CG GLU A 77 -3.499 13.437 -9.560 1.00 0.00 C ATOM 1208 CD GLU A 77 -4.089 12.623 -10.713 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -4.346 13.207 -11.753 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -4.272 11.429 -10.539 1.00 0.00 O ATOM 0 H GLU A 77 -2.236 14.304 -7.765 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.459 16.227 -8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.052 13.355 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.432 14.390 -9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.831 14.205 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.902 12.792 -8.915 1.00 0.00 H new ATOM 1217 N ILE A 78 -3.873 14.677 -5.668 1.00 0.00 N ATOM 1218 CA ILE A 78 -4.325 14.594 -4.249 1.00 0.00 C ATOM 1219 C ILE A 78 -3.146 14.534 -3.276 1.00 0.00 C ATOM 1220 O ILE A 78 -1.994 14.582 -3.659 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.083 13.286 -4.198 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -4.146 12.189 -4.656 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.297 13.344 -5.125 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.720 11.367 -3.446 1.00 0.00 C ATOM 0 H ILE A 78 -2.970 14.247 -5.867 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.913 15.465 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.434 13.095 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.641 11.552 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.273 12.619 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.835 12.397 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.957 14.152 -4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.966 13.525 -6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.044 10.573 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.210 12.011 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.600 10.927 -2.977 1.00 0.00 H new ATOM 1236 N LYS A 79 -3.445 14.410 -2.010 1.00 0.00 N ATOM 1237 CA LYS A 79 -2.379 14.324 -0.977 1.00 0.00 C ATOM 1238 C LYS A 79 -2.914 13.560 0.234 1.00 0.00 C ATOM 1239 O LYS A 79 -4.110 13.443 0.419 1.00 0.00 O ATOM 1240 CB LYS A 79 -2.077 15.773 -0.615 1.00 0.00 C ATOM 1241 CG LYS A 79 -3.357 16.440 -0.119 1.00 0.00 C ATOM 1242 CD LYS A 79 -3.054 17.193 1.169 1.00 0.00 C ATOM 1243 CE LYS A 79 -3.454 16.335 2.370 1.00 0.00 C ATOM 1244 NZ LYS A 79 -2.460 16.672 3.425 1.00 0.00 N ATOM 0 H LYS A 79 -4.397 14.364 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.487 13.801 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.308 15.816 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.688 16.305 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.742 17.125 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.129 15.691 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.992 17.435 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.598 18.138 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.469 16.560 2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.426 15.273 2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.277 15.832 4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.573 16.983 2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.834 17.437 4.023 1.00 0.00 H new ATOM 1258 N ILE A 80 -2.055 13.031 1.060 1.00 0.00 N ATOM 1259 CA ILE A 80 -2.555 12.276 2.242 1.00 0.00 C ATOM 1260 C ILE A 80 -3.114 13.242 3.265 1.00 0.00 C ATOM 1261 O ILE A 80 -2.407 13.839 4.051 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.356 11.531 2.801 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -1.070 10.312 1.926 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.662 11.065 4.228 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -0.915 10.731 0.462 1.00 0.00 C ATOM 0 H ILE A 80 -1.041 13.087 0.970 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.355 11.584 1.978 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.489 12.192 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.161 9.817 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.881 9.590 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.801 10.530 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.876 11.930 4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.527 10.402 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.712 9.851 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.835 11.205 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.088 11.435 0.371 1.00 0.00 H new ATOM 1277 N THR A 81 -4.390 13.374 3.247 1.00 0.00 N ATOM 1278 CA THR A 81 -5.082 14.281 4.204 1.00 0.00 C ATOM 1279 C THR A 81 -5.342 13.544 5.519 1.00 0.00 C ATOM 1280 O THR A 81 -6.336 13.775 6.180 1.00 0.00 O ATOM 1281 CB THR A 81 -6.411 14.623 3.528 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.245 13.472 3.526 1.00 0.00 O ATOM 1283 CG2 THR A 81 -6.163 15.075 2.089 1.00 0.00 C ATOM 0 H THR A 81 -5.009 12.886 2.599 1.00 0.00 H new ATOM 0 HA THR A 81 -4.494 15.169 4.434 1.00 0.00 H new ATOM 0 HB THR A 81 -6.897 15.430 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.099 13.687 3.095 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.114 15.317 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.523 15.958 2.090 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.674 14.273 1.535 1.00 0.00 H new ATOM 1291 N SER A 82 -4.474 12.640 5.895 1.00 0.00 N ATOM 1292 CA SER A 82 -4.688 11.868 7.156 1.00 0.00 C ATOM 1293 C SER A 82 -5.831 10.867 6.958 1.00 0.00 C ATOM 1294 O SER A 82 -5.698 9.693 7.243 1.00 0.00 O ATOM 1295 CB SER A 82 -5.051 12.906 8.220 1.00 0.00 C ATOM 1296 OG SER A 82 -4.703 12.403 9.503 1.00 0.00 O ATOM 0 H SER A 82 -3.625 12.403 5.382 1.00 0.00 H new ATOM 0 HA SER A 82 -3.806 11.299 7.448 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.524 13.841 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.118 13.127 8.180 1.00 0.00 H new ATOM 0 HG SER A 82 -4.932 13.066 10.187 1.00 0.00 H new ATOM 1302 N ASP A 83 -6.953 11.324 6.471 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.106 10.413 6.252 1.00 0.00 C ATOM 1304 C ASP A 83 -7.956 9.635 4.940 1.00 0.00 C ATOM 1305 O ASP A 83 -8.287 8.470 4.869 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.310 11.339 6.162 1.00 0.00 C ATOM 1307 CG ASP A 83 -9.726 11.783 7.566 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -8.993 11.497 8.498 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -10.771 12.401 7.684 1.00 0.00 O ATOM 0 H ASP A 83 -7.118 12.297 6.215 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.192 9.673 7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.067 12.209 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.138 10.828 5.672 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.463 10.254 3.896 1.00 0.00 N ATOM 1315 CA LEU A 84 -7.319 9.510 2.620 1.00 0.00 C ATOM 1316 C LEU A 84 -6.322 8.385 2.827 1.00 0.00 C ATOM 1317 O LEU A 84 -6.370 7.363 2.176 1.00 0.00 O ATOM 1318 CB LEU A 84 -6.792 10.531 1.613 1.00 0.00 C ATOM 1319 CG LEU A 84 -6.312 9.798 0.364 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -7.439 8.909 -0.164 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -5.920 10.816 -0.707 1.00 0.00 C ATOM 0 H LEU A 84 -7.160 11.228 3.877 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.253 9.068 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.576 11.242 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.974 11.103 2.051 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.447 9.183 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.100 8.383 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.719 8.184 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.303 9.526 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.577 10.292 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.784 11.432 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.119 11.451 -0.329 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.432 8.564 3.753 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.434 7.501 4.034 1.00 0.00 C ATOM 1335 C LEU A 85 -4.995 6.567 5.115 1.00 0.00 C ATOM 1336 O LEU A 85 -4.749 5.378 5.116 1.00 0.00 O ATOM 1337 CB LEU A 85 -3.173 8.262 4.487 1.00 0.00 C ATOM 1338 CG LEU A 85 -2.916 8.083 5.987 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -2.102 6.808 6.223 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -2.136 9.290 6.516 1.00 0.00 C ATOM 0 H LEU A 85 -5.351 9.401 4.330 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.202 6.866 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.310 7.906 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.286 9.322 4.260 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.869 8.004 6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.921 6.684 7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.656 5.948 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.149 6.883 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.952 9.165 7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.184 9.367 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.716 10.198 6.352 1.00 0.00 H new ATOM 1352 N ASP A 86 -5.763 7.108 6.024 1.00 0.00 N ATOM 1353 CA ASP A 86 -6.361 6.263 7.098 1.00 0.00 C ATOM 1354 C ASP A 86 -7.319 5.253 6.470 1.00 0.00 C ATOM 1355 O ASP A 86 -7.577 4.199 7.018 1.00 0.00 O ATOM 1356 CB ASP A 86 -7.117 7.240 8.001 1.00 0.00 C ATOM 1357 CG ASP A 86 -6.377 7.383 9.333 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -5.596 6.502 9.652 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -6.608 8.370 10.012 1.00 0.00 O ATOM 0 H ASP A 86 -6.002 8.099 6.069 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.615 5.700 7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.201 8.211 7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.132 6.881 8.173 1.00 0.00 H new ATOM 1364 N LYS A 87 -7.822 5.557 5.306 1.00 0.00 N ATOM 1365 CA LYS A 87 -8.735 4.609 4.619 1.00 0.00 C ATOM 1366 C LYS A 87 -7.876 3.634 3.828 1.00 0.00 C ATOM 1367 O LYS A 87 -8.007 2.432 3.947 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.590 5.468 3.688 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.502 6.381 4.513 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.135 5.584 5.654 1.00 0.00 C ATOM 1371 CE LYS A 87 -11.837 4.346 5.084 1.00 0.00 C ATOM 1372 NZ LYS A 87 -13.091 4.205 5.877 1.00 0.00 N ATOM 0 H LYS A 87 -7.638 6.424 4.802 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.368 4.038 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.949 6.068 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.190 4.830 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.929 7.216 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.280 6.804 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.370 5.284 6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.850 6.205 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.054 4.471 4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.210 3.460 5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.623 3.377 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.854 4.080 6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.672 5.060 5.762 1.00 0.00 H new ATOM 1386 N ILE A 88 -6.961 4.147 3.053 1.00 0.00 N ATOM 1387 CA ILE A 88 -6.058 3.246 2.298 1.00 0.00 C ATOM 1388 C ILE A 88 -5.301 2.392 3.313 1.00 0.00 C ATOM 1389 O ILE A 88 -4.988 1.244 3.076 1.00 0.00 O ATOM 1390 CB ILE A 88 -5.101 4.169 1.548 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -5.800 4.763 0.331 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.872 3.388 1.111 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -5.326 6.206 0.154 1.00 0.00 C ATOM 0 H ILE A 88 -6.803 5.145 2.913 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.578 2.584 1.606 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.793 4.979 2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.572 4.178 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.881 4.733 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.191 4.050 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.368 2.982 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.174 2.571 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.817 6.646 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.576 6.783 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.246 6.219 0.005 1.00 0.00 H new ATOM 1405 N PHE A 89 -5.032 2.958 4.460 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.322 2.197 5.525 1.00 0.00 C ATOM 1407 C PHE A 89 -5.264 1.135 6.073 1.00 0.00 C ATOM 1408 O PHE A 89 -4.857 0.079 6.511 1.00 0.00 O ATOM 1409 CB PHE A 89 -3.974 3.231 6.595 1.00 0.00 C ATOM 1410 CG PHE A 89 -3.303 2.546 7.763 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -4.078 1.987 8.786 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -1.906 2.470 7.822 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -3.457 1.354 9.869 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -1.284 1.835 8.906 1.00 0.00 C ATOM 1415 CZ PHE A 89 -2.060 1.277 9.929 1.00 0.00 C ATOM 0 H PHE A 89 -5.275 3.918 4.704 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.425 1.691 5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.314 3.992 6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.877 3.741 6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.155 2.044 8.740 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.308 2.901 7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.056 0.925 10.659 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.207 1.776 8.952 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.581 0.787 10.764 1.00 0.00 H new ATOM 1425 N ALA A 90 -6.529 1.411 6.001 1.00 0.00 N ATOM 1426 CA ALA A 90 -7.541 0.427 6.461 1.00 0.00 C ATOM 1427 C ALA A 90 -7.611 -0.668 5.409 1.00 0.00 C ATOM 1428 O ALA A 90 -7.782 -1.833 5.705 1.00 0.00 O ATOM 1429 CB ALA A 90 -8.857 1.202 6.537 1.00 0.00 C ATOM 0 H ALA A 90 -6.911 2.285 5.640 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.313 -0.028 7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.653 0.536 6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.754 2.026 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.104 1.597 5.552 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.435 -0.289 4.173 1.00 0.00 N ATOM 1436 CA GLY A 91 -7.439 -1.292 3.082 1.00 0.00 C ATOM 1437 C GLY A 91 -6.199 -2.159 3.267 1.00 0.00 C ATOM 1438 O GLY A 91 -6.235 -3.364 3.119 1.00 0.00 O ATOM 0 H GLY A 91 -7.289 0.676 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.343 -1.900 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.425 -0.802 2.108 1.00 0.00 H new ATOM 1442 N VAL A 92 -5.105 -1.543 3.633 1.00 0.00 N ATOM 1443 CA VAL A 92 -3.857 -2.312 3.881 1.00 0.00 C ATOM 1444 C VAL A 92 -4.052 -3.127 5.162 1.00 0.00 C ATOM 1445 O VAL A 92 -3.410 -4.134 5.383 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.760 -1.245 4.049 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -1.716 -1.697 5.078 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -2.068 -1.015 2.704 1.00 0.00 C ATOM 0 H VAL A 92 -5.026 -0.535 3.770 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.596 -3.007 3.083 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.223 -0.322 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.950 -0.928 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.200 -1.858 6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.255 -2.626 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.290 -0.260 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.620 -1.948 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.800 -0.673 1.972 1.00 0.00 H new ATOM 1458 N ASP A 93 -4.956 -2.691 5.997 1.00 0.00 N ATOM 1459 CA ASP A 93 -5.230 -3.427 7.259 1.00 0.00 C ATOM 1460 C ASP A 93 -6.047 -4.675 6.934 1.00 0.00 C ATOM 1461 O ASP A 93 -6.012 -5.660 7.646 1.00 0.00 O ATOM 1462 CB ASP A 93 -6.025 -2.440 8.121 1.00 0.00 C ATOM 1463 CG ASP A 93 -6.834 -3.202 9.172 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -6.224 -3.856 10.001 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -8.050 -3.118 9.130 1.00 0.00 O ATOM 0 H ASP A 93 -5.518 -1.852 5.856 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.330 -3.760 7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.346 -1.741 8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.693 -1.850 7.493 1.00 0.00 H new ATOM 1470 N MET A 94 -6.764 -4.648 5.844 1.00 0.00 N ATOM 1471 CA MET A 94 -7.563 -5.838 5.452 1.00 0.00 C ATOM 1472 C MET A 94 -6.633 -6.872 4.821 1.00 0.00 C ATOM 1473 O MET A 94 -6.677 -8.039 5.150 1.00 0.00 O ATOM 1474 CB MET A 94 -8.583 -5.327 4.434 1.00 0.00 C ATOM 1475 CG MET A 94 -9.874 -4.945 5.157 1.00 0.00 C ATOM 1476 SD MET A 94 -10.341 -3.257 4.705 1.00 0.00 S ATOM 1477 CE MET A 94 -10.656 -3.576 2.953 1.00 0.00 C ATOM 0 H MET A 94 -6.830 -3.852 5.209 1.00 0.00 H new ATOM 0 HA MET A 94 -8.060 -6.313 6.298 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.182 -4.464 3.903 1.00 0.00 H new ATOM 0 HB3 MET A 94 -8.785 -6.095 3.688 1.00 0.00 H new ATOM 0 HG2 MET A 94 -10.672 -5.638 4.890 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.735 -5.019 6.236 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.017 -2.935 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 94 -10.440 -4.621 2.729 1.00 0.00 H new ATOM 0 HE3 MET A 94 -11.701 -3.365 2.727 1.00 0.00 H new ATOM 1487 N ILE A 95 -5.773 -6.453 3.930 1.00 0.00 N ATOM 1488 CA ILE A 95 -4.836 -7.408 3.308 1.00 0.00 C ATOM 1489 C ILE A 95 -3.977 -8.045 4.398 1.00 0.00 C ATOM 1490 O ILE A 95 -3.667 -9.218 4.352 1.00 0.00 O ATOM 1491 CB ILE A 95 -3.999 -6.556 2.363 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -3.328 -5.419 3.136 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -4.904 -5.972 1.281 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -2.324 -4.709 2.226 1.00 0.00 C ATOM 0 H ILE A 95 -5.686 -5.488 3.612 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.328 -8.223 2.777 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.228 -7.176 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.079 -4.712 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.822 -5.813 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.310 -5.361 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.374 -6.782 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.674 -5.355 1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.845 -3.898 2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.567 -5.420 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.844 -4.302 1.359 1.00 0.00 H new ATOM 1506 N THR A 96 -3.622 -7.287 5.403 1.00 0.00 N ATOM 1507 CA THR A 96 -2.824 -7.867 6.511 1.00 0.00 C ATOM 1508 C THR A 96 -3.681 -8.925 7.193 1.00 0.00 C ATOM 1509 O THR A 96 -3.214 -9.984 7.561 1.00 0.00 O ATOM 1510 CB THR A 96 -2.531 -6.704 7.462 1.00 0.00 C ATOM 1511 OG1 THR A 96 -1.663 -5.779 6.822 1.00 0.00 O ATOM 1512 CG2 THR A 96 -1.867 -7.237 8.733 1.00 0.00 C ATOM 0 H THR A 96 -3.851 -6.298 5.500 1.00 0.00 H new ATOM 0 HA THR A 96 -1.895 -8.333 6.182 1.00 0.00 H new ATOM 0 HB THR A 96 -3.463 -6.205 7.725 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.191 -5.153 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.659 -6.408 9.410 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.535 -7.946 9.222 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.934 -7.737 8.474 1.00 0.00 H new ATOM 1520 N ARG A 97 -4.951 -8.649 7.331 1.00 0.00 N ATOM 1521 CA ARG A 97 -5.863 -9.644 7.956 1.00 0.00 C ATOM 1522 C ARG A 97 -6.194 -10.727 6.927 1.00 0.00 C ATOM 1523 O ARG A 97 -6.371 -11.882 7.258 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.118 -8.861 8.342 1.00 0.00 C ATOM 1525 CG ARG A 97 -6.857 -8.080 9.632 1.00 0.00 C ATOM 1526 CD ARG A 97 -7.624 -6.757 9.590 1.00 0.00 C ATOM 1527 NE ARG A 97 -8.577 -6.827 10.731 1.00 0.00 N ATOM 1528 CZ ARG A 97 -9.648 -6.082 10.731 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -9.571 -4.829 11.089 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -10.796 -6.588 10.373 1.00 0.00 N ATOM 0 H ARG A 97 -5.393 -7.778 7.038 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.424 -10.134 8.825 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.393 -8.177 7.540 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.957 -9.543 8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.170 -8.667 10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.790 -7.891 9.746 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.950 -5.907 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.150 -6.636 8.643 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.393 -7.457 11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.674 -4.433 11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.408 -4.246 11.089 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.857 -7.567 10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.633 -6.005 10.373 1.00 0.00 H new ATOM 1544 N MET A 98 -6.252 -10.359 5.674 1.00 0.00 N ATOM 1545 CA MET A 98 -6.542 -11.361 4.615 1.00 0.00 C ATOM 1546 C MET A 98 -5.323 -12.262 4.460 1.00 0.00 C ATOM 1547 O MET A 98 -5.429 -13.434 4.166 1.00 0.00 O ATOM 1548 CB MET A 98 -6.772 -10.547 3.340 1.00 0.00 C ATOM 1549 CG MET A 98 -8.076 -9.754 3.457 1.00 0.00 C ATOM 1550 SD MET A 98 -7.934 -8.220 2.505 1.00 0.00 S ATOM 1551 CE MET A 98 -9.166 -8.611 1.238 1.00 0.00 C ATOM 0 H MET A 98 -6.110 -9.405 5.341 1.00 0.00 H new ATOM 0 HA MET A 98 -7.404 -11.988 4.842 1.00 0.00 H new ATOM 0 HB2 MET A 98 -5.936 -9.867 3.176 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.816 -11.211 2.477 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.911 -10.349 3.087 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.285 -9.528 4.503 1.00 0.00 H new ATOM 0 HE1 MET A 98 -9.873 -7.786 1.151 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.668 -8.764 0.281 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.700 -9.519 1.518 1.00 0.00 H new ATOM 1561 N VAL A 99 -4.160 -11.713 4.666 1.00 0.00 N ATOM 1562 CA VAL A 99 -2.926 -12.522 4.547 1.00 0.00 C ATOM 1563 C VAL A 99 -2.735 -13.349 5.823 1.00 0.00 C ATOM 1564 O VAL A 99 -2.286 -14.477 5.778 1.00 0.00 O ATOM 1565 CB VAL A 99 -1.801 -11.495 4.364 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.469 -12.062 4.869 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -1.671 -11.151 2.879 1.00 0.00 C ATOM 0 H VAL A 99 -4.015 -10.734 4.913 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.951 -13.229 3.718 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.043 -10.600 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.318 -11.320 4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.556 -12.307 5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.221 -12.963 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.873 -10.421 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.437 -12.054 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.611 -10.732 2.519 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.100 -12.810 6.959 1.00 0.00 N ATOM 1578 CA ASP A 100 -2.963 -13.594 8.219 1.00 0.00 C ATOM 1579 C ASP A 100 -3.898 -14.787 8.129 1.00 0.00 C ATOM 1580 O ASP A 100 -3.593 -15.876 8.574 1.00 0.00 O ATOM 1581 CB ASP A 100 -3.389 -12.647 9.341 1.00 0.00 C ATOM 1582 CG ASP A 100 -2.161 -11.929 9.902 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -1.690 -11.009 9.254 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -1.711 -12.312 10.969 1.00 0.00 O ATOM 0 H ASP A 100 -3.483 -11.871 7.066 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.952 -13.963 8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.107 -11.919 8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.889 -13.206 10.132 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.026 -14.590 7.512 1.00 0.00 N ATOM 1590 CA LYS A 101 -5.979 -15.707 7.336 1.00 0.00 C ATOM 1591 C LYS A 101 -5.445 -16.600 6.214 1.00 0.00 C ATOM 1592 O LYS A 101 -5.738 -17.772 6.135 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.307 -15.034 6.958 1.00 0.00 C ATOM 1594 CG LYS A 101 -7.504 -15.081 5.444 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.080 -16.433 5.063 1.00 0.00 C ATOM 1596 CE LYS A 101 -9.609 -16.383 5.141 1.00 0.00 C ATOM 1597 NZ LYS A 101 -9.991 -17.558 5.972 1.00 0.00 N ATOM 0 H LYS A 101 -5.327 -13.697 7.121 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.111 -16.333 8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.135 -15.538 7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.311 -14.000 7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.175 -14.283 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.554 -14.920 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.766 -16.702 4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.697 -17.204 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.951 -15.452 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.057 -16.439 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.027 -17.641 6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.586 -18.422 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.627 -17.433 6.938 1.00 0.00 H new ATOM 1611 N ILE A 102 -4.639 -16.033 5.356 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.044 -16.818 4.244 1.00 0.00 C ATOM 1613 C ILE A 102 -3.021 -17.766 4.854 1.00 0.00 C ATOM 1614 O ILE A 102 -3.016 -18.952 4.600 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.394 -15.758 3.349 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -4.335 -15.438 2.189 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.053 -16.241 2.794 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.078 -14.016 1.688 1.00 0.00 C ATOM 0 H ILE A 102 -4.367 -15.050 5.381 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.748 -17.423 3.672 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.211 -14.867 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.184 -16.151 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.371 -15.538 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.619 -15.465 2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.375 -16.459 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.208 -17.144 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.752 -13.794 0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.252 -13.308 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.046 -13.931 1.348 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.182 -17.241 5.699 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.188 -18.096 6.380 1.00 0.00 C ATOM 1632 C VAL A 103 -1.959 -19.133 7.191 1.00 0.00 C ATOM 1633 O VAL A 103 -1.521 -20.247 7.394 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.423 -17.139 7.292 1.00 0.00 C ATOM 1635 CG1 VAL A 103 0.360 -17.937 8.335 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.548 -16.303 6.454 1.00 0.00 C ATOM 0 H VAL A 103 -2.146 -16.252 5.945 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.509 -18.623 5.710 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.129 -16.480 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.905 -17.251 8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.331 -18.531 8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.066 -18.599 7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.094 -15.620 7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.252 -16.963 5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.010 -15.731 5.713 1.00 0.00 H new ATOM 1646 N SER A 104 -3.126 -18.756 7.642 1.00 0.00 N ATOM 1647 CA SER A 104 -3.973 -19.692 8.431 1.00 0.00 C ATOM 1648 C SER A 104 -4.726 -20.637 7.501 1.00 0.00 C ATOM 1649 O SER A 104 -4.606 -21.844 7.578 1.00 0.00 O ATOM 1650 CB SER A 104 -4.953 -18.798 9.187 1.00 0.00 C ATOM 1651 OG SER A 104 -4.396 -18.443 10.445 1.00 0.00 O ATOM 0 H SER A 104 -3.530 -17.831 7.495 1.00 0.00 H new ATOM 0 HA SER A 104 -3.381 -20.313 9.104 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.167 -17.901 8.606 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.900 -19.318 9.330 1.00 0.00 H new ATOM 0 HG SER A 104 -5.024 -17.868 10.930 1.00 0.00 H new ATOM 1657 N GLU A 105 -5.503 -20.084 6.628 1.00 0.00 N ATOM 1658 CA GLU A 105 -6.290 -20.921 5.671 1.00 0.00 C ATOM 1659 C GLU A 105 -5.716 -20.788 4.261 1.00 0.00 C ATOM 1660 O GLU A 105 -5.630 -21.744 3.517 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.710 -20.352 5.715 1.00 0.00 C ATOM 1662 CG GLU A 105 -8.095 -20.022 7.158 1.00 0.00 C ATOM 1663 CD GLU A 105 -9.455 -20.645 7.479 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -10.417 -20.293 6.818 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -9.510 -21.465 8.382 1.00 0.00 O ATOM 0 H GLU A 105 -5.635 -19.078 6.527 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.263 -21.978 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.771 -19.455 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.413 -21.073 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.338 -20.403 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.136 -18.942 7.297 1.00 0.00 H new ATOM 1672 N GLY A 106 -5.329 -19.601 3.889 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.763 -19.388 2.527 1.00 0.00 C ATOM 1674 C GLY A 106 -5.771 -18.619 1.668 1.00 0.00 C ATOM 1675 O GLY A 106 -5.773 -18.720 0.458 1.00 0.00 O ATOM 0 H GLY A 106 -5.380 -18.765 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.828 -18.832 2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.532 -20.347 2.064 1.00 0.00 H new ATOM 1679 N SER A 107 -6.630 -17.853 2.285 1.00 0.00 N ATOM 1680 CA SER A 107 -7.641 -17.081 1.497 1.00 0.00 C ATOM 1681 C SER A 107 -7.508 -15.581 1.748 1.00 0.00 C ATOM 1682 O SER A 107 -7.586 -15.102 2.859 1.00 0.00 O ATOM 1683 CB SER A 107 -8.999 -17.575 1.973 1.00 0.00 C ATOM 1684 OG SER A 107 -9.202 -18.907 1.521 1.00 0.00 O ATOM 0 H SER A 107 -6.678 -17.727 3.296 1.00 0.00 H new ATOM 0 HA SER A 107 -7.503 -17.232 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.051 -17.537 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.788 -16.926 1.593 1.00 0.00 H new ATOM 0 HG SER A 107 -10.076 -19.227 1.828 1.00 0.00 H new ATOM 1690 N ASP A 108 -7.326 -14.833 0.709 1.00 0.00 N ATOM 1691 CA ASP A 108 -7.209 -13.362 0.871 1.00 0.00 C ATOM 1692 C ASP A 108 -8.609 -12.748 0.874 1.00 0.00 C ATOM 1693 O ASP A 108 -8.775 -11.544 0.901 1.00 0.00 O ATOM 1694 CB ASP A 108 -6.398 -12.897 -0.344 1.00 0.00 C ATOM 1695 CG ASP A 108 -7.312 -12.774 -1.567 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -8.151 -13.643 -1.744 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -7.156 -11.816 -2.305 1.00 0.00 O ATOM 0 H ASP A 108 -7.252 -15.173 -0.250 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.727 -13.066 1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.929 -11.936 -0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.596 -13.606 -0.549 1.00 0.00 H new ATOM 1702 N ASP A 109 -9.618 -13.576 0.841 1.00 0.00 N ATOM 1703 CA ASP A 109 -11.013 -13.053 0.836 1.00 0.00 C ATOM 1704 C ASP A 109 -11.617 -13.141 2.239 1.00 0.00 C ATOM 1705 O ASP A 109 -12.101 -14.177 2.652 1.00 0.00 O ATOM 1706 CB ASP A 109 -11.770 -13.962 -0.133 1.00 0.00 C ATOM 1707 CG ASP A 109 -12.916 -13.182 -0.781 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -13.991 -13.158 -0.206 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -12.699 -12.622 -1.844 1.00 0.00 O ATOM 0 H ASP A 109 -9.536 -14.592 0.817 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.062 -12.006 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.092 -14.337 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.162 -14.830 0.398 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.598 -12.064 2.975 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.176 -12.094 4.348 1.00 0.00 C ATOM 1716 C ILE A 110 -13.581 -11.485 4.342 1.00 0.00 C ATOM 1717 O ILE A 110 -14.040 -10.945 5.329 1.00 0.00 O ATOM 1718 CB ILE A 110 -11.222 -11.263 5.207 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -11.195 -9.821 4.699 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -9.815 -11.857 5.125 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -10.404 -8.951 5.677 1.00 0.00 C ATOM 0 H ILE A 110 -11.208 -11.167 2.686 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.276 -13.109 4.732 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.565 -11.275 6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.739 -9.781 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -12.211 -9.441 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.134 -11.265 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.832 -12.884 5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.475 -11.846 4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.384 -7.923 5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.879 -8.982 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.384 -9.327 5.756 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.268 -11.580 3.235 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.647 -11.021 3.159 1.00 0.00 C ATOM 1735 C GLY A 111 -15.593 -9.523 2.850 1.00 0.00 C ATOM 1736 O GLY A 111 -16.602 -8.902 2.581 1.00 0.00 O ATOM 0 H GLY A 111 -13.932 -12.022 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.215 -11.539 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.167 -11.187 4.102 1.00 0.00 H new ATOM 1740 N GLU A 112 -14.429 -8.934 2.890 1.00 0.00 N ATOM 1741 CA GLU A 112 -14.332 -7.473 2.601 1.00 0.00 C ATOM 1742 C GLU A 112 -14.517 -7.207 1.103 1.00 0.00 C ATOM 1743 O GLU A 112 -14.343 -8.082 0.278 1.00 0.00 O ATOM 1744 CB GLU A 112 -12.927 -7.076 3.052 1.00 0.00 C ATOM 1745 CG GLU A 112 -12.887 -7.019 4.580 1.00 0.00 C ATOM 1746 CD GLU A 112 -13.158 -5.586 5.045 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -13.131 -4.699 4.208 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -13.389 -5.402 6.229 1.00 0.00 O ATOM 0 H GLU A 112 -13.546 -9.396 3.109 1.00 0.00 H new ATOM 0 HA GLU A 112 -15.103 -6.899 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.197 -7.796 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.658 -6.107 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.632 -7.696 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.914 -7.352 4.942 1.00 0.00 H new ATOM 1755 N ASN A 113 -14.875 -6.001 0.747 1.00 0.00 N ATOM 1756 CA ASN A 113 -15.078 -5.670 -0.694 1.00 0.00 C ATOM 1757 C ASN A 113 -13.801 -5.073 -1.285 1.00 0.00 C ATOM 1758 O ASN A 113 -13.066 -4.375 -0.618 1.00 0.00 O ATOM 1759 CB ASN A 113 -16.216 -4.648 -0.702 1.00 0.00 C ATOM 1760 CG ASN A 113 -17.343 -5.137 0.213 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -17.639 -6.314 0.255 1.00 0.00 O ATOM 1762 ND2 ASN A 113 -17.992 -4.275 0.948 1.00 0.00 N ATOM 0 H ASN A 113 -15.036 -5.229 1.394 1.00 0.00 H new ATOM 0 HA ASN A 113 -15.316 -6.547 -1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.852 -3.678 -0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.590 -4.511 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.747 -4.590 1.557 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.744 -3.286 0.913 1.00 0.00 H new ATOM 1769 N ILE A 114 -13.525 -5.350 -2.533 1.00 0.00 N ATOM 1770 CA ILE A 114 -12.286 -4.800 -3.158 1.00 0.00 C ATOM 1771 C ILE A 114 -12.635 -3.803 -4.256 1.00 0.00 C ATOM 1772 O ILE A 114 -12.567 -2.608 -4.055 1.00 0.00 O ATOM 1773 CB ILE A 114 -11.557 -6.005 -3.749 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -11.347 -7.065 -2.666 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.206 -5.547 -4.295 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -10.814 -6.402 -1.397 1.00 0.00 C ATOM 0 H ILE A 114 -14.101 -5.930 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.672 -4.269 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.151 -6.437 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -12.287 -7.575 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -10.645 -7.822 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.677 -6.400 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.362 -4.795 -5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.613 -5.118 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.665 -7.158 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.864 -5.913 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.532 -5.661 -1.044 1.00 0.00 H new ATOM 1788 N ASP A 115 -13.022 -4.274 -5.416 1.00 0.00 N ATOM 1789 CA ASP A 115 -13.382 -3.326 -6.505 1.00 0.00 C ATOM 1790 C ASP A 115 -14.254 -2.229 -5.919 1.00 0.00 C ATOM 1791 O ASP A 115 -14.306 -1.119 -6.401 1.00 0.00 O ATOM 1792 CB ASP A 115 -14.159 -4.156 -7.529 1.00 0.00 C ATOM 1793 CG ASP A 115 -13.600 -3.895 -8.930 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -13.090 -2.809 -9.151 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -13.693 -4.786 -9.758 1.00 0.00 O ATOM 0 H ASP A 115 -13.102 -5.263 -5.651 1.00 0.00 H new ATOM 0 HA ASP A 115 -12.515 -2.854 -6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -14.082 -5.216 -7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -15.217 -3.897 -7.494 1.00 0.00 H new ATOM 1800 N VAL A 116 -14.925 -2.553 -4.862 1.00 0.00 N ATOM 1801 CA VAL A 116 -15.802 -1.570 -4.183 1.00 0.00 C ATOM 1802 C VAL A 116 -15.016 -0.781 -3.150 1.00 0.00 C ATOM 1803 O VAL A 116 -15.006 0.433 -3.151 1.00 0.00 O ATOM 1804 CB VAL A 116 -16.862 -2.423 -3.497 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -17.640 -1.565 -2.496 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -17.821 -2.990 -4.545 1.00 0.00 C ATOM 0 H VAL A 116 -14.904 -3.476 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.228 -0.845 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.380 -3.245 -2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.398 -2.176 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.954 -1.167 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.122 -0.740 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.579 -3.600 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.304 -2.171 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.265 -3.604 -5.253 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.364 -1.464 -2.271 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.579 -0.753 -1.227 1.00 0.00 C ATOM 1818 C PHE A 117 -12.405 -0.018 -1.873 1.00 0.00 C ATOM 1819 O PHE A 117 -11.897 0.945 -1.339 1.00 0.00 O ATOM 1820 CB PHE A 117 -13.082 -1.844 -0.282 1.00 0.00 C ATOM 1821 CG PHE A 117 -12.616 -1.218 1.010 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -11.367 -0.587 1.072 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -13.432 -1.270 2.147 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -10.937 -0.005 2.271 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -13.001 -0.688 3.345 1.00 0.00 C ATOM 1826 CZ PHE A 117 -11.753 -0.057 3.408 1.00 0.00 C ATOM 0 H PHE A 117 -14.335 -2.482 -2.223 1.00 0.00 H new ATOM 0 HA PHE A 117 -14.172 -0.007 -0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -13.880 -2.560 -0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -12.265 -2.397 -0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.736 -0.549 0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.394 -1.759 2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.975 0.484 2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -13.632 -0.726 4.221 1.00 0.00 H new ATOM 0 HZ PHE A 117 -11.420 0.390 4.333 1.00 0.00 H new ATOM 1836 N SER A 118 -11.982 -0.453 -3.028 1.00 0.00 N ATOM 1837 CA SER A 118 -10.861 0.222 -3.709 1.00 0.00 C ATOM 1838 C SER A 118 -11.411 1.286 -4.632 1.00 0.00 C ATOM 1839 O SER A 118 -10.735 2.217 -4.978 1.00 0.00 O ATOM 1840 CB SER A 118 -10.143 -0.877 -4.493 1.00 0.00 C ATOM 1841 OG SER A 118 -10.133 -0.546 -5.876 1.00 0.00 O ATOM 0 H SER A 118 -12.373 -1.253 -3.526 1.00 0.00 H new ATOM 0 HA SER A 118 -10.178 0.716 -3.018 1.00 0.00 H new ATOM 0 HB2 SER A 118 -9.122 -0.990 -4.128 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.644 -1.833 -4.341 1.00 0.00 H new ATOM 0 HG SER A 118 -9.468 0.155 -6.040 1.00 0.00 H new ATOM 1847 N ASP A 119 -12.639 1.145 -5.021 1.00 0.00 N ATOM 1848 CA ASP A 119 -13.268 2.160 -5.912 1.00 0.00 C ATOM 1849 C ASP A 119 -13.977 3.205 -5.073 1.00 0.00 C ATOM 1850 O ASP A 119 -14.006 4.375 -5.395 1.00 0.00 O ATOM 1851 CB ASP A 119 -14.261 1.394 -6.785 1.00 0.00 C ATOM 1852 CG ASP A 119 -14.995 2.374 -7.701 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -14.333 3.022 -8.494 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -16.207 2.461 -7.591 1.00 0.00 O ATOM 0 H ASP A 119 -13.243 0.366 -4.761 1.00 0.00 H new ATOM 0 HA ASP A 119 -12.533 2.681 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.737 0.646 -7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -14.976 0.860 -6.159 1.00 0.00 H new ATOM 1859 N THR A 120 -14.532 2.786 -3.989 1.00 0.00 N ATOM 1860 CA THR A 120 -15.235 3.738 -3.094 1.00 0.00 C ATOM 1861 C THR A 120 -14.209 4.675 -2.478 1.00 0.00 C ATOM 1862 O THR A 120 -14.389 5.874 -2.409 1.00 0.00 O ATOM 1863 CB THR A 120 -15.902 2.861 -2.032 1.00 0.00 C ATOM 1864 OG1 THR A 120 -17.126 2.352 -2.543 1.00 0.00 O ATOM 1865 CG2 THR A 120 -16.176 3.684 -0.773 1.00 0.00 C ATOM 0 H THR A 120 -14.533 1.816 -3.675 1.00 0.00 H new ATOM 0 HA THR A 120 -15.972 4.356 -3.607 1.00 0.00 H new ATOM 0 HB THR A 120 -15.238 2.034 -1.779 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.963 1.495 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 120 -16.651 3.053 -0.022 1.00 0.00 H new ATOM 0 HG22 THR A 120 -15.236 4.071 -0.380 1.00 0.00 H new ATOM 0 HG23 THR A 120 -16.837 4.515 -1.018 1.00 0.00 H new ATOM 1873 N ILE A 121 -13.133 4.117 -2.040 1.00 0.00 N ATOM 1874 CA ILE A 121 -12.056 4.927 -1.428 1.00 0.00 C ATOM 1875 C ILE A 121 -11.349 5.762 -2.491 1.00 0.00 C ATOM 1876 O ILE A 121 -10.950 6.884 -2.249 1.00 0.00 O ATOM 1877 CB ILE A 121 -11.129 3.875 -0.816 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -10.966 4.176 0.662 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.751 3.863 -1.495 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -10.130 5.444 0.819 1.00 0.00 C ATOM 0 H ILE A 121 -12.946 3.115 -2.079 1.00 0.00 H new ATOM 0 HA ILE A 121 -12.412 5.643 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.575 2.892 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -11.942 4.307 1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.481 3.340 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.123 3.102 -1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.870 3.638 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.281 4.840 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.007 5.670 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.151 5.293 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.635 6.276 0.327 1.00 0.00 H new ATOM 1892 N LYS A 122 -11.187 5.230 -3.664 1.00 0.00 N ATOM 1893 CA LYS A 122 -10.511 5.994 -4.718 1.00 0.00 C ATOM 1894 C LYS A 122 -11.514 6.986 -5.289 1.00 0.00 C ATOM 1895 O LYS A 122 -11.171 8.074 -5.708 1.00 0.00 O ATOM 1896 CB LYS A 122 -10.106 4.891 -5.675 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.511 5.195 -7.100 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.447 3.880 -7.842 1.00 0.00 C ATOM 1899 CE LYS A 122 -8.991 3.418 -7.902 1.00 0.00 C ATOM 1900 NZ LYS A 122 -8.784 2.981 -9.310 1.00 0.00 N ATOM 0 H LYS A 122 -11.497 4.296 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.650 6.596 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -9.026 4.750 -5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -10.564 3.953 -5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.516 5.616 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.841 5.929 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.060 3.132 -7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -10.848 3.995 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.309 4.225 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -8.807 2.601 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.806 2.649 -9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.442 2.207 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.960 3.781 -9.951 1.00 0.00 H new ATOM 1914 N SER A 123 -12.766 6.633 -5.245 1.00 0.00 N ATOM 1915 CA SER A 123 -13.811 7.569 -5.713 1.00 0.00 C ATOM 1916 C SER A 123 -14.122 8.522 -4.571 1.00 0.00 C ATOM 1917 O SER A 123 -14.839 9.491 -4.723 1.00 0.00 O ATOM 1918 CB SER A 123 -15.021 6.710 -6.039 1.00 0.00 C ATOM 1919 OG SER A 123 -15.969 7.484 -6.762 1.00 0.00 O ATOM 0 H SER A 123 -13.107 5.734 -4.904 1.00 0.00 H new ATOM 0 HA SER A 123 -13.511 8.152 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 123 -14.718 5.844 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.469 6.331 -5.121 1.00 0.00 H new ATOM 0 HG SER A 123 -16.749 6.931 -6.974 1.00 0.00 H new ATOM 1925 N PHE A 124 -13.554 8.259 -3.422 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.783 9.161 -2.261 1.00 0.00 C ATOM 1927 C PHE A 124 -13.095 10.498 -2.529 1.00 0.00 C ATOM 1928 O PHE A 124 -13.219 11.441 -1.773 1.00 0.00 O ATOM 1929 CB PHE A 124 -13.143 8.449 -1.068 1.00 0.00 C ATOM 1930 CG PHE A 124 -13.320 9.282 0.179 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -14.452 10.092 0.327 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -12.351 9.242 1.189 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -14.613 10.863 1.485 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -12.513 10.012 2.347 1.00 0.00 C ATOM 1935 CZ PHE A 124 -13.644 10.824 2.494 1.00 0.00 C ATOM 0 H PHE A 124 -12.945 7.461 -3.241 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.839 9.364 -2.080 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -13.600 7.469 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -12.083 8.283 -1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -15.200 10.122 -0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -11.478 8.617 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -15.486 11.488 1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -11.766 9.980 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 124 -13.769 11.420 3.386 1.00 0.00 H new