USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 590 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 35 MET CE :methyl 179:sc= -0.236 (180deg=-0.234) USER MOD Set 1.2: A 50 MET CE :methyl 160:sc= -0.218 (180deg=-1.34) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0274 (180deg=-0.315) USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -0.0431 (180deg=-0.515) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 23 ASN :FLIP amide:sc= -4.9! C(o=-17!,f=-4.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 63:sc= -0.142! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-4.8!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.113 F(o=-1.3!,f=-0.11) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00482 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= -1.19 (180deg=-1.24) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 63 ASN : amide:sc= -1.9! C(o=-1.9!,f=-2!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= -0.215 (180deg=-0.271) USER MOD Single : A 70 MET CE :methyl -140:sc= -4.15! (180deg=-6.76!) USER MOD Single : A 71 MET CE :methyl -155:sc= -0.158 (180deg=-0.859) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 79:sc= 0.162 USER MOD Single : A 81 ASN : amide:sc= -0.0357 K(o=-0.036,f=-1.4!) USER MOD Single : A 84 SER OG : rot 108:sc= 0.814 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 14.087 -1.360 -2.070 1.00 0.00 N ATOM 108 CA GLU A 9 13.924 -0.491 -3.226 1.00 0.00 C ATOM 109 C GLU A 9 12.460 -0.435 -3.647 1.00 0.00 C ATOM 110 O GLU A 9 11.938 0.629 -3.970 1.00 0.00 O ATOM 111 CB GLU A 9 14.773 -1.002 -4.391 1.00 0.00 C ATOM 112 CG GLU A 9 16.255 -0.858 -4.043 1.00 0.00 C ATOM 113 CD GLU A 9 17.114 -1.395 -5.185 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.550 -1.760 -6.201 1.00 0.00 O ATOM 115 OE2 GLU A 9 18.323 -1.434 -5.023 1.00 0.00 O ATOM 0 HA GLU A 9 14.253 0.512 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.537 -2.046 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.545 -0.439 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.494 0.190 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.476 -1.401 -3.124 1.00 0.00 H new ATOM 122 N GLU A 10 11.802 -1.589 -3.639 1.00 0.00 N ATOM 123 CA GLU A 10 10.397 -1.653 -4.021 1.00 0.00 C ATOM 124 C GLU A 10 9.562 -0.746 -3.129 1.00 0.00 C ATOM 125 O GLU A 10 8.736 0.030 -3.613 1.00 0.00 O ATOM 126 CB GLU A 10 9.888 -3.095 -3.902 1.00 0.00 C ATOM 127 CG GLU A 10 8.398 -3.156 -4.264 1.00 0.00 C ATOM 128 CD GLU A 10 7.905 -4.593 -4.215 1.00 0.00 C ATOM 129 OE1 GLU A 10 8.737 -5.485 -4.189 1.00 0.00 O ATOM 130 OE2 GLU A 10 6.700 -4.779 -4.195 1.00 0.00 O ATOM 0 H GLU A 10 12.214 -2.484 -3.375 1.00 0.00 H new ATOM 0 HA GLU A 10 10.304 -1.318 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.459 -3.747 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.039 -3.460 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.822 -2.542 -3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.241 -2.744 -5.261 1.00 0.00 H new ATOM 137 N LEU A 11 9.763 -0.855 -1.825 1.00 0.00 N ATOM 138 CA LEU A 11 9.000 -0.054 -0.882 1.00 0.00 C ATOM 139 C LEU A 11 9.215 1.420 -1.154 1.00 0.00 C ATOM 140 O LEU A 11 8.264 2.196 -1.179 1.00 0.00 O ATOM 141 CB LEU A 11 9.461 -0.370 0.543 1.00 0.00 C ATOM 142 CG LEU A 11 9.102 -1.819 0.904 1.00 0.00 C ATOM 143 CD1 LEU A 11 9.887 -2.246 2.149 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.596 -1.942 1.190 1.00 0.00 C ATOM 0 H LEU A 11 10.442 -1.485 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 11 7.942 -0.290 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.538 -0.222 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.990 0.316 1.247 1.00 0.00 H new ATOM 0 HG LEU A 11 9.359 -2.463 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.632 -3.274 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.956 -2.177 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.632 -1.591 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.357 -2.975 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.330 -1.292 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.032 -1.647 0.305 1.00 0.00 H new ATOM 156 N LYS A 12 10.465 1.807 -1.365 1.00 0.00 N ATOM 157 CA LYS A 12 10.760 3.206 -1.641 1.00 0.00 C ATOM 158 C LYS A 12 10.232 3.627 -3.013 1.00 0.00 C ATOM 159 O LYS A 12 9.491 4.606 -3.133 1.00 0.00 O ATOM 160 CB LYS A 12 12.266 3.425 -1.599 1.00 0.00 C ATOM 161 CG LYS A 12 12.779 3.196 -0.173 1.00 0.00 C ATOM 162 CD LYS A 12 14.253 3.635 -0.066 1.00 0.00 C ATOM 163 CE LYS A 12 14.325 5.138 0.231 1.00 0.00 C ATOM 164 NZ LYS A 12 15.746 5.546 0.389 1.00 0.00 N ATOM 0 H LYS A 12 11.275 1.188 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 12 10.267 3.811 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.762 2.742 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.506 4.437 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.171 3.758 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.685 2.143 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.753 3.074 0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.777 3.413 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.862 5.702 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.767 5.367 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.794 6.565 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.174 5.017 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.265 5.342 -0.488 1.00 0.00 H new ATOM 178 N GLU A 13 10.624 2.890 -4.039 1.00 0.00 N ATOM 179 CA GLU A 13 10.197 3.203 -5.396 1.00 0.00 C ATOM 180 C GLU A 13 8.677 3.155 -5.508 1.00 0.00 C ATOM 181 O GLU A 13 8.041 4.124 -5.946 1.00 0.00 O ATOM 182 CB GLU A 13 10.810 2.201 -6.378 1.00 0.00 C ATOM 183 CG GLU A 13 12.328 2.405 -6.446 1.00 0.00 C ATOM 184 CD GLU A 13 12.957 1.356 -7.358 1.00 0.00 C ATOM 185 OE1 GLU A 13 12.225 0.516 -7.857 1.00 0.00 O ATOM 186 OE2 GLU A 13 14.161 1.409 -7.546 1.00 0.00 O ATOM 0 H GLU A 13 11.233 2.076 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 13 10.536 4.210 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.584 1.183 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.371 2.332 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.552 3.404 -6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.758 2.334 -5.447 1.00 0.00 H new ATOM 193 N ALA A 14 8.096 2.031 -5.085 1.00 0.00 N ATOM 194 CA ALA A 14 6.649 1.867 -5.136 1.00 0.00 C ATOM 195 C ALA A 14 5.953 2.970 -4.336 1.00 0.00 C ATOM 196 O ALA A 14 4.998 3.590 -4.797 1.00 0.00 O ATOM 197 CB ALA A 14 6.261 0.499 -4.568 1.00 0.00 C ATOM 0 H ALA A 14 8.602 1.230 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 14 6.330 1.934 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.178 0.382 -4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.733 -0.287 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.595 0.427 -3.533 1.00 0.00 H new ATOM 203 N PHE A 15 6.429 3.211 -3.133 1.00 0.00 N ATOM 204 CA PHE A 15 5.826 4.242 -2.294 1.00 0.00 C ATOM 205 C PHE A 15 5.919 5.606 -2.969 1.00 0.00 C ATOM 206 O PHE A 15 5.092 6.488 -2.728 1.00 0.00 O ATOM 207 CB PHE A 15 6.533 4.291 -0.943 1.00 0.00 C ATOM 208 CG PHE A 15 5.974 5.421 -0.116 1.00 0.00 C ATOM 209 CD1 PHE A 15 4.880 5.195 0.728 1.00 0.00 C ATOM 210 CD2 PHE A 15 6.550 6.694 -0.190 1.00 0.00 C ATOM 211 CE1 PHE A 15 4.361 6.243 1.495 1.00 0.00 C ATOM 212 CE2 PHE A 15 6.032 7.741 0.577 1.00 0.00 C ATOM 213 CZ PHE A 15 4.938 7.517 1.421 1.00 0.00 C ATOM 0 H PHE A 15 7.218 2.720 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 15 4.775 3.995 -2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.401 3.345 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.605 4.429 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.437 4.212 0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.395 6.867 -0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.515 6.070 2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.476 8.724 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.539 8.326 2.015 1.00 0.00 H new ATOM 223 N LYS A 16 6.942 5.783 -3.797 1.00 0.00 N ATOM 224 CA LYS A 16 7.138 7.050 -4.494 1.00 0.00 C ATOM 225 C LYS A 16 6.072 7.280 -5.556 1.00 0.00 C ATOM 226 O LYS A 16 5.622 8.408 -5.771 1.00 0.00 O ATOM 227 CB LYS A 16 8.515 7.069 -5.160 1.00 0.00 C ATOM 228 CG LYS A 16 8.908 8.513 -5.490 1.00 0.00 C ATOM 229 CD LYS A 16 10.330 8.540 -6.050 1.00 0.00 C ATOM 230 CE LYS A 16 10.702 9.974 -6.429 1.00 0.00 C ATOM 231 NZ LYS A 16 10.782 10.809 -5.196 1.00 0.00 N ATOM 0 H LYS A 16 7.644 5.072 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 16 7.064 7.846 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.256 6.622 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.498 6.469 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.212 8.934 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.847 9.131 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.031 8.155 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.401 7.892 -6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.658 9.987 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.959 10.385 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.303 11.685 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.822 11.045 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.277 10.280 -4.450 1.00 0.00 H new ATOM 245 N VAL A 17 5.670 6.205 -6.219 1.00 0.00 N ATOM 246 CA VAL A 17 4.645 6.308 -7.264 1.00 0.00 C ATOM 247 C VAL A 17 3.258 6.523 -6.651 1.00 0.00 C ATOM 248 O VAL A 17 2.399 7.187 -7.238 1.00 0.00 O ATOM 249 CB VAL A 17 4.656 5.033 -8.143 1.00 0.00 C ATOM 250 CG1 VAL A 17 6.070 4.450 -8.154 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.669 3.980 -7.601 1.00 0.00 C ATOM 0 H VAL A 17 6.027 5.263 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 17 4.874 7.171 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 17 4.349 5.300 -9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.088 3.551 -8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.763 5.185 -8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.367 4.198 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.696 3.095 -8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.951 3.706 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.661 4.394 -7.598 1.00 0.00 H new ATOM 261 N PHE A 18 3.046 5.938 -5.478 1.00 0.00 N ATOM 262 CA PHE A 18 1.754 6.056 -4.814 1.00 0.00 C ATOM 263 C PHE A 18 1.420 7.517 -4.555 1.00 0.00 C ATOM 264 O PHE A 18 0.297 7.958 -4.809 1.00 0.00 O ATOM 265 CB PHE A 18 1.775 5.263 -3.484 1.00 0.00 C ATOM 266 CG PHE A 18 1.125 3.915 -3.670 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.274 3.821 -3.703 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.909 2.763 -3.800 1.00 0.00 C ATOM 269 CE1 PHE A 18 -0.888 2.578 -3.865 1.00 0.00 C ATOM 270 CE2 PHE A 18 1.294 1.518 -3.965 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.105 1.426 -3.998 1.00 0.00 C ATOM 0 H PHE A 18 3.740 5.386 -4.974 1.00 0.00 H new ATOM 0 HA PHE A 18 0.984 5.640 -5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.803 5.135 -3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.251 5.824 -2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.877 4.711 -3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.986 2.835 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.965 2.506 -3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.896 0.627 -4.067 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.579 0.464 -4.126 1.00 0.00 H new ATOM 281 N ASP A 19 2.397 8.257 -4.055 1.00 0.00 N ATOM 282 CA ASP A 19 2.199 9.672 -3.767 1.00 0.00 C ATOM 283 C ASP A 19 2.505 10.515 -4.999 1.00 0.00 C ATOM 284 O ASP A 19 3.532 11.185 -5.065 1.00 0.00 O ATOM 285 CB ASP A 19 3.102 10.101 -2.605 1.00 0.00 C ATOM 286 CG ASP A 19 2.490 9.667 -1.276 1.00 0.00 C ATOM 287 OD1 ASP A 19 1.365 10.066 -1.009 1.00 0.00 O ATOM 288 OD2 ASP A 19 3.156 8.953 -0.544 1.00 0.00 O ATOM 0 H ASP A 19 3.330 7.906 -3.841 1.00 0.00 H new ATOM 0 HA ASP A 19 1.157 9.827 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.091 9.658 -2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.234 11.183 -2.617 1.00 0.00 H new ATOM 293 N LYS A 20 1.605 10.469 -5.972 1.00 0.00 N ATOM 294 CA LYS A 20 1.787 11.224 -7.200 1.00 0.00 C ATOM 295 C LYS A 20 2.046 12.690 -6.878 1.00 0.00 C ATOM 296 O LYS A 20 2.829 13.357 -7.554 1.00 0.00 O ATOM 297 CB LYS A 20 0.540 11.108 -8.079 1.00 0.00 C ATOM 298 CG LYS A 20 0.358 9.656 -8.525 1.00 0.00 C ATOM 299 CD LYS A 20 -0.873 9.545 -9.427 1.00 0.00 C ATOM 300 CE LYS A 20 -1.028 8.101 -9.905 1.00 0.00 C ATOM 301 NZ LYS A 20 -1.249 7.210 -8.732 1.00 0.00 N ATOM 0 H LYS A 20 0.747 9.919 -5.934 1.00 0.00 H new ATOM 0 HA LYS A 20 2.644 10.816 -7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.338 11.442 -7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.635 11.757 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.245 9.316 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.243 9.010 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.765 9.857 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.772 10.213 -10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.867 8.024 -10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.136 7.789 -10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.682 6.319 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.338 7.008 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.881 7.680 -8.053 1.00 0.00 H new ATOM 315 N ASP A 21 1.387 13.186 -5.834 1.00 0.00 N ATOM 316 CA ASP A 21 1.562 14.575 -5.429 1.00 0.00 C ATOM 317 C ASP A 21 2.884 14.755 -4.690 1.00 0.00 C ATOM 318 O ASP A 21 3.316 15.882 -4.444 1.00 0.00 O ATOM 319 CB ASP A 21 0.407 15.004 -4.524 1.00 0.00 C ATOM 320 CG ASP A 21 0.405 14.168 -3.254 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.228 13.274 -3.155 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.418 14.437 -2.397 1.00 0.00 O ATOM 0 H ASP A 21 0.734 12.653 -5.260 1.00 0.00 H new ATOM 0 HA ASP A 21 1.572 15.197 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.503 16.061 -4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.541 14.886 -5.049 1.00 0.00 H new ATOM 327 N GLN A 22 3.524 13.642 -4.347 1.00 0.00 N ATOM 328 CA GLN A 22 4.804 13.695 -3.640 1.00 0.00 C ATOM 329 C GLN A 22 4.686 14.521 -2.364 1.00 0.00 C ATOM 330 O GLN A 22 5.631 15.208 -1.972 1.00 0.00 O ATOM 331 CB GLN A 22 5.870 14.306 -4.550 1.00 0.00 C ATOM 332 CG GLN A 22 6.102 13.383 -5.749 1.00 0.00 C ATOM 333 CD GLN A 22 7.087 14.029 -6.719 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.655 15.078 -6.421 1.00 0.00 O ATOM 335 NE2 GLN A 22 7.315 13.465 -7.873 1.00 0.00 N ATOM 0 H GLN A 22 3.184 12.701 -4.543 1.00 0.00 H new ATOM 0 HA GLN A 22 5.090 12.679 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.552 15.291 -4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.800 14.445 -3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.489 12.422 -5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.157 13.185 -6.255 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.842 12.595 -8.118 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.966 13.894 -8.531 1.00 0.00 H new ATOM 344 N ASN A 23 3.526 14.451 -1.713 1.00 0.00 N ATOM 345 CA ASN A 23 3.306 15.198 -0.482 1.00 0.00 C ATOM 346 C ASN A 23 3.894 14.449 0.710 1.00 0.00 C ATOM 347 O ASN A 23 3.961 14.983 1.817 1.00 0.00 O ATOM 348 CB ASN A 23 1.804 15.401 -0.264 1.00 0.00 C ATOM 349 CG ASN A 23 1.089 14.053 -0.280 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.778 12.967 -0.489 1.00 0.00 O flip ATOM 351 ND2 ASN A 23 -0.127 13.987 -0.102 1.00 0.00 N flip ATOM 0 H ASN A 23 2.731 13.888 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 23 3.800 16.166 -0.569 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.631 15.903 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.399 16.047 -1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.665 14.838 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.596 13.082 -0.118 1.00 0.00 H new ATOM 358 N GLY A 24 4.320 13.210 0.477 1.00 0.00 N ATOM 359 CA GLY A 24 4.902 12.397 1.539 1.00 0.00 C ATOM 360 C GLY A 24 3.817 11.740 2.384 1.00 0.00 C ATOM 361 O GLY A 24 4.079 11.260 3.485 1.00 0.00 O ATOM 0 H GLY A 24 4.273 12.750 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.543 11.630 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.534 13.019 2.173 1.00 0.00 H new ATOM 365 N TYR A 25 2.595 11.723 1.862 1.00 0.00 N ATOM 366 CA TYR A 25 1.469 11.121 2.575 1.00 0.00 C ATOM 367 C TYR A 25 0.464 10.547 1.592 1.00 0.00 C ATOM 368 O TYR A 25 -0.077 11.268 0.763 1.00 0.00 O ATOM 369 CB TYR A 25 0.791 12.178 3.454 1.00 0.00 C ATOM 370 CG TYR A 25 1.635 12.432 4.679 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.719 13.314 4.611 1.00 0.00 C ATOM 372 CD2 TYR A 25 1.338 11.775 5.881 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.507 13.545 5.745 1.00 0.00 C ATOM 374 CE2 TYR A 25 2.128 12.005 7.015 1.00 0.00 C ATOM 375 CZ TYR A 25 3.213 12.890 6.945 1.00 0.00 C ATOM 376 OH TYR A 25 3.989 13.117 8.063 1.00 0.00 O ATOM 0 H TYR A 25 2.357 12.117 0.952 1.00 0.00 H new ATOM 0 HA TYR A 25 1.843 10.312 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.659 13.103 2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.202 11.839 3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.948 13.817 3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.502 11.093 5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.341 14.229 5.693 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.901 11.501 7.943 1.00 0.00 H new ATOM 0 HH TYR A 25 3.648 12.584 8.812 1.00 0.00 H new ATOM 386 N ILE A 26 0.207 9.247 1.703 1.00 0.00 N ATOM 387 CA ILE A 26 -0.752 8.589 0.812 1.00 0.00 C ATOM 388 C ILE A 26 -2.170 8.737 1.346 1.00 0.00 C ATOM 389 O ILE A 26 -2.407 8.602 2.544 1.00 0.00 O ATOM 390 CB ILE A 26 -0.414 7.111 0.679 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.985 6.964 0.073 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.442 6.422 -0.228 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.413 5.496 0.126 1.00 0.00 C ATOM 0 H ILE A 26 0.642 8.632 2.391 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.691 9.066 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.437 6.644 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.985 7.317 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.697 7.581 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.195 5.364 -0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.437 6.526 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.425 6.885 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.409 5.391 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.429 5.159 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.706 4.890 -0.441 1.00 0.00 H new ATOM 405 N SER A 27 -3.112 9.018 0.438 1.00 0.00 N ATOM 406 CA SER A 27 -4.518 9.185 0.814 1.00 0.00 C ATOM 407 C SER A 27 -5.374 8.118 0.144 1.00 0.00 C ATOM 408 O SER A 27 -4.856 7.145 -0.403 1.00 0.00 O ATOM 409 CB SER A 27 -5.009 10.572 0.402 1.00 0.00 C ATOM 410 OG SER A 27 -6.406 10.668 0.647 1.00 0.00 O ATOM 0 H SER A 27 -2.926 9.134 -0.558 1.00 0.00 H new ATOM 0 HA SER A 27 -4.604 9.081 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.476 11.340 0.962 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.801 10.745 -0.654 1.00 0.00 H new ATOM 0 HG SER A 27 -6.577 10.574 1.607 1.00 0.00 H new ATOM 416 N ALA A 28 -6.688 8.305 0.197 1.00 0.00 N ATOM 417 CA ALA A 28 -7.616 7.349 -0.403 1.00 0.00 C ATOM 418 C ALA A 28 -7.776 7.615 -1.896 1.00 0.00 C ATOM 419 O ALA A 28 -7.883 6.683 -2.693 1.00 0.00 O ATOM 420 CB ALA A 28 -8.985 7.458 0.282 1.00 0.00 C ATOM 0 H ALA A 28 -7.134 9.105 0.646 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.212 6.346 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.675 6.744 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.879 7.240 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.375 8.468 0.156 1.00 0.00 H new ATOM 426 N SER A 29 -7.807 8.889 -2.264 1.00 0.00 N ATOM 427 CA SER A 29 -7.980 9.260 -3.666 1.00 0.00 C ATOM 428 C SER A 29 -6.876 8.654 -4.522 1.00 0.00 C ATOM 429 O SER A 29 -7.141 8.080 -5.580 1.00 0.00 O ATOM 430 CB SER A 29 -7.954 10.780 -3.805 1.00 0.00 C ATOM 431 OG SER A 29 -9.059 11.341 -3.108 1.00 0.00 O ATOM 0 H SER A 29 -7.716 9.676 -1.622 1.00 0.00 H new ATOM 0 HA SER A 29 -8.941 8.876 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.020 11.176 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.995 11.060 -4.858 1.00 0.00 H new ATOM 0 HG SER A 29 -9.040 12.317 -3.196 1.00 0.00 H new ATOM 437 N GLU A 30 -5.642 8.773 -4.055 1.00 0.00 N ATOM 438 CA GLU A 30 -4.510 8.224 -4.788 1.00 0.00 C ATOM 439 C GLU A 30 -4.547 6.703 -4.776 1.00 0.00 C ATOM 440 O GLU A 30 -4.269 6.053 -5.786 1.00 0.00 O ATOM 441 CB GLU A 30 -3.199 8.716 -4.171 1.00 0.00 C ATOM 442 CG GLU A 30 -3.032 10.209 -4.464 1.00 0.00 C ATOM 443 CD GLU A 30 -1.766 10.721 -3.801 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.128 9.942 -3.115 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.450 11.884 -3.988 1.00 0.00 O ATOM 0 H GLU A 30 -5.400 9.240 -3.181 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.572 8.564 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.203 8.543 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.358 8.157 -4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.983 10.375 -5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.896 10.761 -4.095 1.00 0.00 H new ATOM 452 N LEU A 31 -4.879 6.133 -3.624 1.00 0.00 N ATOM 453 CA LEU A 31 -4.931 4.687 -3.503 1.00 0.00 C ATOM 454 C LEU A 31 -5.995 4.117 -4.444 1.00 0.00 C ATOM 455 O LEU A 31 -5.747 3.164 -5.187 1.00 0.00 O ATOM 456 CB LEU A 31 -5.244 4.310 -2.043 1.00 0.00 C ATOM 457 CG LEU A 31 -4.766 2.877 -1.746 1.00 0.00 C ATOM 458 CD1 LEU A 31 -4.773 2.635 -0.239 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.668 1.842 -2.454 1.00 0.00 C ATOM 0 H LEU A 31 -5.113 6.644 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.966 4.264 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.755 5.011 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.316 4.388 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.751 2.762 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.434 1.620 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.105 3.347 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.784 2.765 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.312 0.836 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.693 1.951 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.636 2.007 -3.531 1.00 0.00 H new ATOM 471 N ARG A 32 -7.175 4.721 -4.422 1.00 0.00 N ATOM 472 CA ARG A 32 -8.251 4.270 -5.279 1.00 0.00 C ATOM 473 C ARG A 32 -7.840 4.379 -6.742 1.00 0.00 C ATOM 474 O ARG A 32 -8.102 3.477 -7.540 1.00 0.00 O ATOM 475 CB ARG A 32 -9.511 5.110 -5.019 1.00 0.00 C ATOM 476 CG ARG A 32 -10.583 4.796 -6.069 1.00 0.00 C ATOM 477 CD ARG A 32 -10.933 3.303 -6.022 1.00 0.00 C ATOM 478 NE ARG A 32 -12.205 3.065 -6.685 1.00 0.00 N ATOM 479 CZ ARG A 32 -13.344 3.473 -6.145 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.337 4.103 -5.001 1.00 0.00 N ATOM 481 NH2 ARG A 32 -14.474 3.245 -6.757 1.00 0.00 N ATOM 0 H ARG A 32 -7.406 5.516 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.468 3.225 -5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.897 4.901 -4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.262 6.171 -5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.475 5.394 -5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.222 5.063 -7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.148 2.722 -6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.986 2.967 -4.987 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.221 2.576 -7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.454 4.281 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.214 4.417 -4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.480 2.753 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.351 3.559 -6.342 1.00 0.00 H new ATOM 495 N HIS A 33 -7.210 5.495 -7.090 1.00 0.00 N ATOM 496 CA HIS A 33 -6.790 5.717 -8.462 1.00 0.00 C ATOM 497 C HIS A 33 -5.858 4.606 -8.912 1.00 0.00 C ATOM 498 O HIS A 33 -5.962 4.111 -10.036 1.00 0.00 O ATOM 499 CB HIS A 33 -6.080 7.066 -8.576 1.00 0.00 C ATOM 500 CG HIS A 33 -7.082 8.178 -8.425 1.00 0.00 C ATOM 501 ND1 HIS A 33 -6.833 9.297 -7.646 1.00 0.00 N ATOM 502 CD2 HIS A 33 -8.339 8.360 -8.950 1.00 0.00 C ATOM 503 CE1 HIS A 33 -7.915 10.094 -7.723 1.00 0.00 C ATOM 504 NE2 HIS A 33 -8.861 9.570 -8.504 1.00 0.00 N ATOM 0 H HIS A 33 -6.982 6.252 -6.445 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.671 5.719 -9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.311 7.149 -7.808 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.578 7.144 -9.540 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.844 7.669 -9.608 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.006 11.042 -7.214 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.772 9.971 -8.727 1.00 0.00 H new ATOM 512 N VAL A 34 -4.950 4.214 -8.030 1.00 0.00 N ATOM 513 CA VAL A 34 -4.001 3.153 -8.351 1.00 0.00 C ATOM 514 C VAL A 34 -4.740 1.838 -8.605 1.00 0.00 C ATOM 515 O VAL A 34 -4.425 1.100 -9.549 1.00 0.00 O ATOM 516 CB VAL A 34 -3.003 2.975 -7.196 1.00 0.00 C ATOM 517 CG1 VAL A 34 -2.157 1.715 -7.425 1.00 0.00 C ATOM 518 CG2 VAL A 34 -2.080 4.199 -7.123 1.00 0.00 C ATOM 0 H VAL A 34 -4.849 4.609 -7.095 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.458 3.432 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.554 2.874 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.452 1.596 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.809 0.843 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.608 1.810 -8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.372 4.073 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.535 4.300 -8.061 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.677 5.095 -6.952 1.00 0.00 H new ATOM 528 N MET A 35 -5.727 1.547 -7.765 1.00 0.00 N ATOM 529 CA MET A 35 -6.484 0.314 -7.910 1.00 0.00 C ATOM 530 C MET A 35 -7.162 0.273 -9.271 1.00 0.00 C ATOM 531 O MET A 35 -7.184 -0.761 -9.936 1.00 0.00 O ATOM 532 CB MET A 35 -7.537 0.228 -6.796 1.00 0.00 C ATOM 533 CG MET A 35 -6.851 -0.152 -5.479 1.00 0.00 C ATOM 534 SD MET A 35 -6.294 -1.874 -5.556 1.00 0.00 S ATOM 535 CE MET A 35 -6.232 -2.169 -3.772 1.00 0.00 C ATOM 0 H MET A 35 -6.017 2.140 -6.988 1.00 0.00 H new ATOM 0 HA MET A 35 -5.805 -0.536 -7.833 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.050 1.184 -6.690 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.294 -0.513 -7.052 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.002 0.507 -5.296 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.542 -0.020 -4.646 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.923 -3.197 -3.584 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.517 -1.485 -3.315 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.219 -2.003 -3.341 1.00 0.00 H new ATOM 545 N ILE A 36 -7.704 1.410 -9.688 1.00 0.00 N ATOM 546 CA ILE A 36 -8.368 1.484 -10.982 1.00 0.00 C ATOM 547 C ILE A 36 -7.366 1.272 -12.111 1.00 0.00 C ATOM 548 O ILE A 36 -7.647 0.568 -13.082 1.00 0.00 O ATOM 549 CB ILE A 36 -9.061 2.846 -11.143 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.215 2.960 -10.121 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.613 2.985 -12.575 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.486 2.266 -10.647 1.00 0.00 C ATOM 0 H ILE A 36 -7.698 2.281 -9.158 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.118 0.695 -11.031 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.340 3.643 -10.963 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.914 2.509 -9.175 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.426 4.010 -9.920 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.103 3.952 -12.684 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.793 2.911 -13.290 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.333 2.190 -12.766 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.283 2.360 -9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.797 2.735 -11.580 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.278 1.211 -10.824 1.00 0.00 H new ATOM 564 N ASN A 37 -6.199 1.886 -11.969 1.00 0.00 N ATOM 565 CA ASN A 37 -5.157 1.770 -12.980 1.00 0.00 C ATOM 566 C ASN A 37 -4.806 0.304 -13.192 1.00 0.00 C ATOM 567 O ASN A 37 -4.417 -0.098 -14.288 1.00 0.00 O ATOM 568 CB ASN A 37 -3.914 2.543 -12.543 1.00 0.00 C ATOM 569 CG ASN A 37 -4.203 4.038 -12.543 1.00 0.00 C ATOM 570 OD1 ASN A 37 -5.033 4.536 -13.421 1.00 0.00 O flip ATOM 571 ND2 ASN A 37 -3.656 4.777 -11.724 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.951 2.467 -11.168 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.523 2.190 -13.917 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.609 2.223 -11.547 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.085 2.325 -13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.008 4.388 -11.039 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.851 5.778 -11.731 1.00 0.00 H new ATOM 578 N LEU A 38 -4.960 -0.492 -12.138 1.00 0.00 N ATOM 579 CA LEU A 38 -4.669 -1.925 -12.229 1.00 0.00 C ATOM 580 C LEU A 38 -5.850 -2.680 -12.826 1.00 0.00 C ATOM 581 O LEU A 38 -5.807 -3.902 -12.965 1.00 0.00 O ATOM 582 CB LEU A 38 -4.348 -2.484 -10.843 1.00 0.00 C ATOM 583 CG LEU A 38 -3.074 -1.822 -10.300 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.817 -2.319 -8.875 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.865 -2.162 -11.199 1.00 0.00 C ATOM 0 H LEU A 38 -5.280 -0.178 -11.222 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.806 -2.057 -12.881 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.182 -2.301 -10.165 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.213 -3.564 -10.898 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.208 -0.740 -10.294 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.913 -1.852 -8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.664 -2.058 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.691 -3.402 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.970 -1.685 -10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.721 -3.242 -11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.050 -1.799 -12.210 1.00 0.00 H new ATOM 597 N GLY A 39 -6.895 -1.947 -13.187 1.00 0.00 N ATOM 598 CA GLY A 39 -8.076 -2.563 -13.776 1.00 0.00 C ATOM 599 C GLY A 39 -8.952 -3.193 -12.702 1.00 0.00 C ATOM 600 O GLY A 39 -9.653 -4.166 -12.960 1.00 0.00 O ATOM 0 H GLY A 39 -6.949 -0.934 -13.084 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.647 -1.814 -14.324 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.774 -3.323 -14.497 1.00 0.00 H new ATOM 604 N GLU A 40 -8.905 -2.627 -11.497 1.00 0.00 N ATOM 605 CA GLU A 40 -9.701 -3.134 -10.374 1.00 0.00 C ATOM 606 C GLU A 40 -10.632 -2.053 -9.845 1.00 0.00 C ATOM 607 O GLU A 40 -10.222 -0.912 -9.651 1.00 0.00 O ATOM 608 CB GLU A 40 -8.775 -3.596 -9.253 1.00 0.00 C ATOM 609 CG GLU A 40 -8.005 -4.837 -9.705 1.00 0.00 C ATOM 610 CD GLU A 40 -7.014 -5.253 -8.626 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.978 -4.600 -7.597 1.00 0.00 O ATOM 612 OE2 GLU A 40 -6.306 -6.221 -8.844 1.00 0.00 O ATOM 0 H GLU A 40 -8.326 -1.818 -11.271 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.300 -3.973 -10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.079 -2.799 -8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.355 -3.821 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.699 -5.653 -9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.477 -4.629 -10.636 1.00 0.00 H new ATOM 619 N LYS A 41 -11.892 -2.423 -9.621 1.00 0.00 N ATOM 620 CA LYS A 41 -12.894 -1.478 -9.118 1.00 0.00 C ATOM 621 C LYS A 41 -13.271 -1.816 -7.688 1.00 0.00 C ATOM 622 O LYS A 41 -14.033 -2.749 -7.442 1.00 0.00 O ATOM 623 CB LYS A 41 -14.147 -1.533 -9.989 1.00 0.00 C ATOM 624 CG LYS A 41 -13.790 -1.163 -11.450 1.00 0.00 C ATOM 625 CD LYS A 41 -13.512 -2.434 -12.257 1.00 0.00 C ATOM 626 CE LYS A 41 -13.145 -2.057 -13.687 1.00 0.00 C ATOM 627 NZ LYS A 41 -12.828 -3.294 -14.452 1.00 0.00 N ATOM 0 H LYS A 41 -12.245 -3.367 -9.779 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.466 -0.476 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.582 -2.532 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.899 -0.844 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.610 -0.606 -11.904 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.915 -0.513 -11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.700 -2.998 -11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.390 -3.079 -12.254 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.971 -1.525 -14.159 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.288 -1.383 -13.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.577 -3.043 -15.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.028 -3.784 -14.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.658 -3.921 -14.458 1.00 0.00 H new ATOM 641 N LEU A 42 -12.726 -1.049 -6.750 1.00 0.00 N ATOM 642 CA LEU A 42 -13.000 -1.259 -5.324 1.00 0.00 C ATOM 643 C LEU A 42 -13.773 -0.086 -4.754 1.00 0.00 C ATOM 644 O LEU A 42 -13.583 1.060 -5.166 1.00 0.00 O ATOM 645 CB LEU A 42 -11.685 -1.438 -4.553 1.00 0.00 C ATOM 646 CG LEU A 42 -11.137 -2.872 -4.750 1.00 0.00 C ATOM 647 CD1 LEU A 42 -10.381 -2.980 -6.078 1.00 0.00 C ATOM 648 CD2 LEU A 42 -10.192 -3.218 -3.600 1.00 0.00 C ATOM 0 H LEU A 42 -12.091 -0.275 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.602 -2.162 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.951 -0.710 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.848 -1.246 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.975 -3.568 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.003 -3.995 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.055 -2.743 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.546 -2.279 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.806 -4.228 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.363 -2.511 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.733 -3.162 -2.655 1.00 0.00 H new ATOM 660 N THR A 43 -14.653 -0.384 -3.806 1.00 0.00 N ATOM 661 CA THR A 43 -15.463 0.649 -3.188 1.00 0.00 C ATOM 662 C THR A 43 -14.646 1.421 -2.157 1.00 0.00 C ATOM 663 O THR A 43 -13.647 0.924 -1.635 1.00 0.00 O ATOM 664 CB THR A 43 -16.694 0.020 -2.511 1.00 0.00 C ATOM 665 OG1 THR A 43 -17.091 -1.136 -3.235 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.848 1.026 -2.480 1.00 0.00 C ATOM 0 H THR A 43 -14.821 -1.326 -3.453 1.00 0.00 H new ATOM 0 HA THR A 43 -15.794 1.340 -3.964 1.00 0.00 H new ATOM 0 HB THR A 43 -16.437 -0.257 -1.489 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.874 -1.539 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.714 0.571 -1.999 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.545 1.911 -1.920 1.00 0.00 H new ATOM 0 HG23 THR A 43 -18.108 1.313 -3.499 1.00 0.00 H new ATOM 674 N ASP A 44 -15.080 2.639 -1.873 1.00 0.00 N ATOM 675 CA ASP A 44 -14.384 3.481 -0.908 1.00 0.00 C ATOM 676 C ASP A 44 -14.209 2.739 0.412 1.00 0.00 C ATOM 677 O ASP A 44 -13.205 2.908 1.104 1.00 0.00 O ATOM 678 CB ASP A 44 -15.174 4.770 -0.667 1.00 0.00 C ATOM 679 CG ASP A 44 -15.141 5.645 -1.916 1.00 0.00 C ATOM 680 OD1 ASP A 44 -14.327 5.374 -2.784 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.931 6.572 -1.986 1.00 0.00 O ATOM 0 H ASP A 44 -15.906 3.066 -2.293 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.402 3.729 -1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.205 4.531 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.751 5.313 0.178 1.00 0.00 H new ATOM 686 N GLU A 45 -15.192 1.913 0.755 1.00 0.00 N ATOM 687 CA GLU A 45 -15.132 1.148 1.995 1.00 0.00 C ATOM 688 C GLU A 45 -13.850 0.325 2.052 1.00 0.00 C ATOM 689 O GLU A 45 -13.170 0.293 3.076 1.00 0.00 O ATOM 690 CB GLU A 45 -16.341 0.216 2.093 1.00 0.00 C ATOM 691 CG GLU A 45 -17.613 1.045 2.279 1.00 0.00 C ATOM 692 CD GLU A 45 -18.831 0.129 2.318 1.00 0.00 C ATOM 693 OE1 GLU A 45 -18.650 -1.073 2.223 1.00 0.00 O ATOM 694 OE2 GLU A 45 -19.931 0.645 2.443 1.00 0.00 O ATOM 0 H GLU A 45 -16.032 1.757 0.198 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.143 1.846 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.419 -0.391 1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.217 -0.471 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.550 1.620 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.712 1.762 1.464 1.00 0.00 H new ATOM 701 N GLU A 46 -13.521 -0.334 0.949 1.00 0.00 N ATOM 702 CA GLU A 46 -12.317 -1.153 0.894 1.00 0.00 C ATOM 703 C GLU A 46 -11.077 -0.303 1.187 1.00 0.00 C ATOM 704 O GLU A 46 -10.159 -0.730 1.897 1.00 0.00 O ATOM 705 CB GLU A 46 -12.189 -1.791 -0.489 1.00 0.00 C ATOM 706 CG GLU A 46 -13.358 -2.752 -0.727 1.00 0.00 C ATOM 707 CD GLU A 46 -13.271 -3.931 0.237 1.00 0.00 C ATOM 708 OE1 GLU A 46 -12.186 -4.181 0.739 1.00 0.00 O ATOM 709 OE2 GLU A 46 -14.288 -4.567 0.459 1.00 0.00 O ATOM 0 H GLU A 46 -14.066 -0.318 0.087 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.392 -1.935 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.180 -1.018 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.243 -2.328 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.304 -2.228 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.340 -3.111 -1.756 1.00 0.00 H new ATOM 716 N VAL A 47 -11.065 0.909 0.647 1.00 0.00 N ATOM 717 CA VAL A 47 -9.941 1.809 0.861 1.00 0.00 C ATOM 718 C VAL A 47 -9.809 2.166 2.342 1.00 0.00 C ATOM 719 O VAL A 47 -8.716 2.116 2.903 1.00 0.00 O ATOM 720 CB VAL A 47 -10.126 3.082 0.029 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.027 4.091 0.375 1.00 0.00 C ATOM 722 CG2 VAL A 47 -10.048 2.734 -1.461 1.00 0.00 C ATOM 0 H VAL A 47 -11.812 1.288 0.064 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.028 1.304 0.546 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.099 3.519 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.163 4.995 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.083 4.341 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.052 3.656 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.180 3.639 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.075 2.294 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.834 2.020 -1.710 1.00 0.00 H new ATOM 732 N GLU A 48 -10.927 2.534 2.964 1.00 0.00 N ATOM 733 CA GLU A 48 -10.918 2.904 4.367 1.00 0.00 C ATOM 734 C GLU A 48 -10.392 1.746 5.204 1.00 0.00 C ATOM 735 O GLU A 48 -9.557 1.939 6.085 1.00 0.00 O ATOM 736 CB GLU A 48 -12.335 3.264 4.813 1.00 0.00 C ATOM 737 CG GLU A 48 -12.300 3.761 6.251 1.00 0.00 C ATOM 738 CD GLU A 48 -13.700 4.159 6.706 1.00 0.00 C ATOM 739 OE1 GLU A 48 -14.559 4.310 5.852 1.00 0.00 O ATOM 740 OE2 GLU A 48 -13.896 4.302 7.902 1.00 0.00 O ATOM 0 H GLU A 48 -11.843 2.582 2.517 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.267 3.767 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.749 4.033 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.986 2.393 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.906 2.982 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.627 4.615 6.332 1.00 0.00 H new ATOM 747 N GLN A 49 -10.888 0.545 4.925 1.00 0.00 N ATOM 748 CA GLN A 49 -10.458 -0.630 5.664 1.00 0.00 C ATOM 749 C GLN A 49 -8.944 -0.763 5.616 1.00 0.00 C ATOM 750 O GLN A 49 -8.313 -1.071 6.620 1.00 0.00 O ATOM 751 CB GLN A 49 -11.096 -1.888 5.069 1.00 0.00 C ATOM 752 CG GLN A 49 -12.594 -1.901 5.377 1.00 0.00 C ATOM 753 CD GLN A 49 -13.258 -3.087 4.689 1.00 0.00 C ATOM 754 OE1 GLN A 49 -12.578 -3.919 4.086 1.00 0.00 O ATOM 755 NE2 GLN A 49 -14.556 -3.215 4.738 1.00 0.00 N ATOM 0 H GLN A 49 -11.581 0.363 4.199 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.774 -0.518 6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.936 -1.913 3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.622 -2.778 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.752 -1.960 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.051 -0.971 5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.118 -2.526 5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.008 -4.004 4.277 1.00 0.00 H new ATOM 764 N MET A 50 -8.359 -0.524 4.451 1.00 0.00 N ATOM 765 CA MET A 50 -6.904 -0.611 4.312 1.00 0.00 C ATOM 766 C MET A 50 -6.210 0.527 5.066 1.00 0.00 C ATOM 767 O MET A 50 -5.193 0.318 5.728 1.00 0.00 O ATOM 768 CB MET A 50 -6.547 -0.500 2.836 1.00 0.00 C ATOM 769 CG MET A 50 -7.159 -1.664 2.067 1.00 0.00 C ATOM 770 SD MET A 50 -7.147 -1.274 0.303 1.00 0.00 S ATOM 771 CE MET A 50 -5.364 -1.413 0.045 1.00 0.00 C ATOM 0 H MET A 50 -8.857 -0.272 3.597 1.00 0.00 H new ATOM 0 HA MET A 50 -6.571 -1.562 4.727 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.912 0.445 2.434 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.464 -0.501 2.714 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.595 -2.577 2.255 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.179 -1.844 2.406 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.160 -1.562 -1.015 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.875 -0.499 0.383 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.979 -2.261 0.611 1.00 0.00 H new ATOM 781 N ILE A 51 -6.762 1.739 4.956 1.00 0.00 N ATOM 782 CA ILE A 51 -6.178 2.896 5.634 1.00 0.00 C ATOM 783 C ILE A 51 -6.308 2.773 7.148 1.00 0.00 C ATOM 784 O ILE A 51 -5.357 3.029 7.881 1.00 0.00 O ATOM 785 CB ILE A 51 -6.867 4.182 5.164 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.532 4.419 3.688 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.366 5.370 5.994 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.389 5.562 3.148 1.00 0.00 C ATOM 0 H ILE A 51 -7.600 1.942 4.412 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.118 2.933 5.381 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.945 4.084 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.475 4.660 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.713 3.511 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.858 6.282 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.595 5.201 7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.288 5.472 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.151 5.731 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.443 5.303 3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.185 6.469 3.717 1.00 0.00 H new ATOM 800 N LYS A 52 -7.487 2.388 7.608 1.00 0.00 N ATOM 801 CA LYS A 52 -7.718 2.251 9.037 1.00 0.00 C ATOM 802 C LYS A 52 -6.834 1.142 9.607 1.00 0.00 C ATOM 803 O LYS A 52 -6.207 1.295 10.659 1.00 0.00 O ATOM 804 CB LYS A 52 -9.225 1.949 9.295 1.00 0.00 C ATOM 805 CG LYS A 52 -9.481 0.436 9.395 1.00 0.00 C ATOM 806 CD LYS A 52 -10.953 0.165 9.593 1.00 0.00 C ATOM 807 CE LYS A 52 -11.124 -1.323 9.905 1.00 0.00 C ATOM 808 NZ LYS A 52 -10.578 -2.144 8.785 1.00 0.00 N ATOM 0 H LYS A 52 -8.291 2.167 7.021 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.458 3.183 9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.543 2.436 10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.826 2.369 8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.132 -0.059 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.912 0.018 10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.346 0.773 10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.513 0.433 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.609 -1.570 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.179 -1.553 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.713 -3.153 8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.077 -1.905 7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.563 -1.947 8.673 1.00 0.00 H new ATOM 822 N GLU A 53 -6.812 0.005 8.905 1.00 0.00 N ATOM 823 CA GLU A 53 -6.045 -1.131 9.345 1.00 0.00 C ATOM 824 C GLU A 53 -4.569 -0.784 9.352 1.00 0.00 C ATOM 825 O GLU A 53 -3.842 -1.138 10.282 1.00 0.00 O ATOM 826 CB GLU A 53 -6.320 -2.340 8.421 1.00 0.00 C ATOM 827 CG GLU A 53 -5.202 -3.370 8.567 1.00 0.00 C ATOM 828 CD GLU A 53 -5.611 -4.712 7.979 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.789 -4.898 7.732 1.00 0.00 O ATOM 830 OE2 GLU A 53 -4.733 -5.537 7.788 1.00 0.00 O ATOM 0 H GLU A 53 -7.321 -0.139 8.033 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.342 -1.398 10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.279 -2.792 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.388 -2.009 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.304 -3.009 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.952 -3.493 9.621 1.00 0.00 H new ATOM 837 N ALA A 54 -4.135 -0.099 8.307 1.00 0.00 N ATOM 838 CA ALA A 54 -2.742 0.290 8.195 1.00 0.00 C ATOM 839 C ALA A 54 -2.414 1.431 9.151 1.00 0.00 C ATOM 840 O ALA A 54 -1.412 1.388 9.860 1.00 0.00 O ATOM 841 CB ALA A 54 -2.441 0.729 6.763 1.00 0.00 C ATOM 0 H ALA A 54 -4.724 0.197 7.529 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.127 -0.571 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.394 1.020 6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.641 -0.097 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.074 1.577 6.502 1.00 0.00 H new ATOM 847 N ASP A 55 -3.266 2.447 9.155 1.00 0.00 N ATOM 848 CA ASP A 55 -3.067 3.603 10.019 1.00 0.00 C ATOM 849 C ASP A 55 -3.333 3.239 11.472 1.00 0.00 C ATOM 850 O ASP A 55 -4.371 2.666 11.797 1.00 0.00 O ATOM 851 CB ASP A 55 -4.004 4.736 9.604 1.00 0.00 C ATOM 852 CG ASP A 55 -3.644 6.004 10.364 1.00 0.00 C ATOM 853 OD1 ASP A 55 -2.464 6.218 10.591 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.551 6.739 10.712 1.00 0.00 O ATOM 0 H ASP A 55 -4.101 2.495 8.571 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.032 3.929 9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.927 4.910 8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.038 4.459 9.809 1.00 0.00 H new ATOM 859 N LEU A 56 -2.387 3.580 12.346 1.00 0.00 N ATOM 860 CA LEU A 56 -2.527 3.293 13.778 1.00 0.00 C ATOM 861 C LEU A 56 -2.894 4.555 14.542 1.00 0.00 C ATOM 862 O LEU A 56 -3.182 4.497 15.734 1.00 0.00 O ATOM 863 CB LEU A 56 -1.209 2.719 14.326 1.00 0.00 C ATOM 864 CG LEU A 56 -1.124 1.224 14.010 1.00 0.00 C ATOM 865 CD1 LEU A 56 -1.131 1.007 12.489 1.00 0.00 C ATOM 866 CD2 LEU A 56 0.163 0.654 14.610 1.00 0.00 C ATOM 0 H LEU A 56 -1.519 4.053 12.093 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.324 2.561 13.910 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.362 3.242 13.883 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.153 2.876 15.403 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.985 0.713 14.441 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.070 -0.060 12.273 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.052 1.410 12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.276 1.516 12.045 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.228 -0.411 14.387 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.023 1.167 14.180 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.156 0.799 15.690 1.00 0.00 H new ATOM 878 N ASP A 57 -2.889 5.694 13.852 1.00 0.00 N ATOM 879 CA ASP A 57 -3.228 6.971 14.484 1.00 0.00 C ATOM 880 C ASP A 57 -4.567 7.482 13.963 1.00 0.00 C ATOM 881 O ASP A 57 -5.020 8.559 14.348 1.00 0.00 O ATOM 882 CB ASP A 57 -2.134 7.997 14.190 1.00 0.00 C ATOM 883 CG ASP A 57 -1.915 8.114 12.686 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.896 8.079 11.964 1.00 0.00 O ATOM 885 OD2 ASP A 57 -0.771 8.233 12.277 1.00 0.00 O ATOM 0 H ASP A 57 -2.656 5.761 12.861 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.305 6.821 15.561 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.414 8.967 14.601 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.206 7.700 14.678 1.00 0.00 H new ATOM 890 N GLY A 58 -5.197 6.702 13.091 1.00 0.00 N ATOM 891 CA GLY A 58 -6.488 7.087 12.532 1.00 0.00 C ATOM 892 C GLY A 58 -6.463 8.536 12.061 1.00 0.00 C ATOM 893 O GLY A 58 -7.411 9.287 12.290 1.00 0.00 O ATOM 0 H GLY A 58 -4.839 5.807 12.758 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.737 6.433 11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.268 6.957 13.283 1.00 0.00 H new ATOM 897 N ASP A 59 -5.373 8.928 11.404 1.00 0.00 N ATOM 898 CA ASP A 59 -5.237 10.294 10.907 1.00 0.00 C ATOM 899 C ASP A 59 -5.844 10.415 9.514 1.00 0.00 C ATOM 900 O ASP A 59 -6.221 11.504 9.088 1.00 0.00 O ATOM 901 CB ASP A 59 -3.759 10.686 10.859 1.00 0.00 C ATOM 902 CG ASP A 59 -2.994 9.737 9.943 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.596 8.791 9.468 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.815 9.971 9.734 1.00 0.00 O ATOM 0 H ASP A 59 -4.576 8.323 11.205 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.768 10.965 11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.658 11.710 10.500 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.334 10.656 11.862 1.00 0.00 H new ATOM 909 N GLY A 60 -5.935 9.287 8.808 1.00 0.00 N ATOM 910 CA GLY A 60 -6.498 9.276 7.459 1.00 0.00 C ATOM 911 C GLY A 60 -5.401 9.331 6.409 1.00 0.00 C ATOM 912 O GLY A 60 -5.684 9.332 5.212 1.00 0.00 O ATOM 0 H GLY A 60 -5.628 8.375 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.096 8.376 7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.168 10.126 7.334 1.00 0.00 H new ATOM 916 N GLN A 61 -4.148 9.374 6.858 1.00 0.00 N ATOM 917 CA GLN A 61 -3.008 9.430 5.940 1.00 0.00 C ATOM 918 C GLN A 61 -2.011 8.325 6.254 1.00 0.00 C ATOM 919 O GLN A 61 -1.527 8.212 7.385 1.00 0.00 O ATOM 920 CB GLN A 61 -2.311 10.782 6.061 1.00 0.00 C ATOM 921 CG GLN A 61 -3.351 11.895 6.079 1.00 0.00 C ATOM 922 CD GLN A 61 -2.669 13.257 6.143 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.666 13.418 6.836 1.00 0.00 O ATOM 924 NE2 GLN A 61 -3.160 14.256 5.458 1.00 0.00 N ATOM 0 H GLN A 61 -3.895 9.371 7.846 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.380 9.295 4.924 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.714 10.814 6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.626 10.925 5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.974 11.834 5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.011 11.771 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.992 14.121 4.884 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.711 15.171 5.498 1.00 0.00 H new ATOM 933 N VAL A 62 -1.706 7.504 5.250 1.00 0.00 N ATOM 934 CA VAL A 62 -0.766 6.408 5.440 1.00 0.00 C ATOM 935 C VAL A 62 0.653 6.892 5.153 1.00 0.00 C ATOM 936 O VAL A 62 0.955 7.332 4.037 1.00 0.00 O ATOM 937 CB VAL A 62 -1.115 5.246 4.497 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.490 3.948 5.010 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.633 5.097 4.408 1.00 0.00 C ATOM 0 H VAL A 62 -2.092 7.578 4.309 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.829 6.061 6.471 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.717 5.458 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.743 3.131 4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.593 4.059 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.874 3.728 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.879 4.273 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.037 4.893 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.067 6.019 4.022 1.00 0.00 H new ATOM 949 N ASN A 63 1.512 6.813 6.169 1.00 0.00 N ATOM 950 CA ASN A 63 2.899 7.246 6.036 1.00 0.00 C ATOM 951 C ASN A 63 3.785 6.079 5.601 1.00 0.00 C ATOM 952 O ASN A 63 3.346 4.931 5.567 1.00 0.00 O ATOM 953 CB ASN A 63 3.403 7.800 7.370 1.00 0.00 C ATOM 954 CG ASN A 63 4.779 8.429 7.178 1.00 0.00 C ATOM 955 OD1 ASN A 63 5.780 7.889 7.647 1.00 0.00 O ATOM 956 ND2 ASN A 63 4.889 9.544 6.508 1.00 0.00 N ATOM 0 H ASN A 63 1.270 6.453 7.092 1.00 0.00 H new ATOM 0 HA ASN A 63 2.945 8.027 5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.703 8.542 7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.458 7.001 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.806 9.969 6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.058 9.990 6.120 1.00 0.00 H new ATOM 963 N TYR A 64 5.027 6.385 5.260 1.00 0.00 N ATOM 964 CA TYR A 64 5.960 5.357 4.818 1.00 0.00 C ATOM 965 C TYR A 64 5.981 4.199 5.799 1.00 0.00 C ATOM 966 O TYR A 64 5.447 3.134 5.505 1.00 0.00 O ATOM 967 CB TYR A 64 7.363 5.940 4.696 1.00 0.00 C ATOM 968 CG TYR A 64 8.268 4.944 4.009 1.00 0.00 C ATOM 969 CD1 TYR A 64 8.134 4.720 2.635 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.239 4.247 4.739 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.969 3.801 1.990 1.00 0.00 C ATOM 972 CE2 TYR A 64 10.074 3.328 4.092 1.00 0.00 C ATOM 973 CZ TYR A 64 9.939 3.105 2.719 1.00 0.00 C ATOM 974 OH TYR A 64 10.762 2.199 2.083 1.00 0.00 O ATOM 0 H TYR A 64 5.412 7.329 5.280 1.00 0.00 H new ATOM 0 HA TYR A 64 5.631 4.993 3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.333 6.871 4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.755 6.181 5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.385 5.257 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.344 4.418 5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.865 3.629 0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.823 2.791 4.655 1.00 0.00 H new ATOM 0 HH TYR A 64 11.379 1.805 2.734 1.00 0.00 H new ATOM 984 N GLU A 65 6.615 4.406 6.955 1.00 0.00 N ATOM 985 CA GLU A 65 6.718 3.361 7.984 1.00 0.00 C ATOM 986 C GLU A 65 5.465 2.488 8.009 1.00 0.00 C ATOM 987 O GLU A 65 5.546 1.255 8.010 1.00 0.00 O ATOM 988 CB GLU A 65 6.888 4.010 9.359 1.00 0.00 C ATOM 989 CG GLU A 65 8.122 4.904 9.351 1.00 0.00 C ATOM 990 CD GLU A 65 8.304 5.562 10.716 1.00 0.00 C ATOM 991 OE1 GLU A 65 7.549 5.232 11.616 1.00 0.00 O ATOM 992 OE2 GLU A 65 9.196 6.385 10.844 1.00 0.00 O ATOM 0 H GLU A 65 7.066 5.286 7.205 1.00 0.00 H new ATOM 0 HA GLU A 65 7.580 2.738 7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.003 4.596 9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.988 3.242 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.005 4.315 9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.021 5.669 8.581 1.00 0.00 H new ATOM 999 N GLU A 66 4.309 3.140 8.012 1.00 0.00 N ATOM 1000 CA GLU A 66 3.036 2.418 8.025 1.00 0.00 C ATOM 1001 C GLU A 66 2.918 1.506 6.798 1.00 0.00 C ATOM 1002 O GLU A 66 2.464 0.357 6.890 1.00 0.00 O ATOM 1003 CB GLU A 66 1.863 3.408 8.045 1.00 0.00 C ATOM 1004 CG GLU A 66 1.846 4.154 9.380 1.00 0.00 C ATOM 1005 CD GLU A 66 0.710 5.172 9.395 1.00 0.00 C ATOM 1006 OE1 GLU A 66 0.505 5.814 8.380 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.060 5.296 10.421 1.00 0.00 O ATOM 0 H GLU A 66 4.223 4.156 8.006 1.00 0.00 H new ATOM 0 HA GLU A 66 3.004 1.804 8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.957 4.116 7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.922 2.876 7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.722 3.446 10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.799 4.659 9.536 1.00 0.00 H new ATOM 1014 N PHE A 67 3.346 2.016 5.651 1.00 0.00 N ATOM 1015 CA PHE A 67 3.298 1.238 4.419 1.00 0.00 C ATOM 1016 C PHE A 67 4.233 0.032 4.500 1.00 0.00 C ATOM 1017 O PHE A 67 3.859 -1.082 4.131 1.00 0.00 O ATOM 1018 CB PHE A 67 3.695 2.113 3.231 1.00 0.00 C ATOM 1019 CG PHE A 67 3.461 1.352 1.948 1.00 0.00 C ATOM 1020 CD1 PHE A 67 4.450 0.498 1.449 1.00 0.00 C ATOM 1021 CD2 PHE A 67 2.254 1.504 1.255 1.00 0.00 C ATOM 1022 CE1 PHE A 67 4.234 -0.205 0.258 1.00 0.00 C ATOM 1023 CE2 PHE A 67 2.038 0.801 0.064 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.026 -0.054 -0.434 1.00 0.00 C ATOM 0 H PHE A 67 3.727 2.956 5.547 1.00 0.00 H new ATOM 0 HA PHE A 67 2.277 0.880 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.112 3.034 3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.744 2.400 3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.381 0.381 1.983 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.490 2.163 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.999 -0.863 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.107 0.919 -0.471 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.858 -0.598 -1.352 1.00 0.00 H new ATOM 1034 N VAL A 68 5.448 0.266 4.986 1.00 0.00 N ATOM 1035 CA VAL A 68 6.434 -0.803 5.099 1.00 0.00 C ATOM 1036 C VAL A 68 5.929 -1.912 6.007 1.00 0.00 C ATOM 1037 O VAL A 68 5.609 -3.007 5.545 1.00 0.00 O ATOM 1038 CB VAL A 68 7.742 -0.250 5.664 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.749 -1.392 5.836 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.316 0.792 4.702 1.00 0.00 C ATOM 0 H VAL A 68 5.772 1.179 5.306 1.00 0.00 H new ATOM 0 HA VAL A 68 6.605 -1.212 4.103 1.00 0.00 H new ATOM 0 HB VAL A 68 7.549 0.215 6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.682 -0.997 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.343 -2.135 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.940 -1.858 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.249 1.186 5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.507 0.328 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.602 1.606 4.579 1.00 0.00 H new ATOM 1050 N LYS A 69 5.853 -1.624 7.303 1.00 0.00 N ATOM 1051 CA LYS A 69 5.387 -2.616 8.269 1.00 0.00 C ATOM 1052 C LYS A 69 4.186 -3.377 7.716 1.00 0.00 C ATOM 1053 O LYS A 69 4.091 -4.599 7.859 1.00 0.00 O ATOM 1054 CB LYS A 69 5.013 -1.929 9.585 1.00 0.00 C ATOM 1055 CG LYS A 69 3.693 -1.173 9.424 1.00 0.00 C ATOM 1056 CD LYS A 69 3.454 -0.277 10.635 1.00 0.00 C ATOM 1057 CE LYS A 69 3.401 -1.132 11.902 1.00 0.00 C ATOM 1058 NZ LYS A 69 2.728 -0.362 12.981 1.00 0.00 N ATOM 0 H LYS A 69 6.105 -0.722 7.706 1.00 0.00 H new ATOM 0 HA LYS A 69 6.192 -3.327 8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.922 -2.670 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.803 -1.239 9.882 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.717 -0.571 8.515 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.870 -1.880 9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.251 0.462 10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.520 0.272 10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.860 -2.058 11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.409 -1.410 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.283 -1.021 13.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.430 0.220 13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.000 0.254 12.566 1.00 0.00 H new ATOM 1072 N MET A 70 3.270 -2.651 7.085 1.00 0.00 N ATOM 1073 CA MET A 70 2.088 -3.284 6.523 1.00 0.00 C ATOM 1074 C MET A 70 2.472 -4.291 5.454 1.00 0.00 C ATOM 1075 O MET A 70 1.929 -5.390 5.409 1.00 0.00 O ATOM 1076 CB MET A 70 1.171 -2.208 5.926 1.00 0.00 C ATOM 1077 CG MET A 70 0.299 -1.575 7.017 1.00 0.00 C ATOM 1078 SD MET A 70 -0.849 -2.808 7.691 1.00 0.00 S ATOM 1079 CE MET A 70 -1.757 -3.154 6.162 1.00 0.00 C ATOM 0 H MET A 70 3.322 -1.641 6.952 1.00 0.00 H new ATOM 0 HA MET A 70 1.562 -3.815 7.316 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.772 -1.439 5.441 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.537 -2.649 5.157 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.929 -1.180 7.814 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.259 -0.734 6.605 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.818 -3.263 6.386 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.617 -2.331 5.461 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.383 -4.077 5.718 1.00 0.00 H new ATOM 1089 N MET A 71 3.402 -3.914 4.599 1.00 0.00 N ATOM 1090 CA MET A 71 3.837 -4.797 3.541 1.00 0.00 C ATOM 1091 C MET A 71 4.525 -6.025 4.115 1.00 0.00 C ATOM 1092 O MET A 71 4.496 -7.100 3.516 1.00 0.00 O ATOM 1093 CB MET A 71 4.791 -4.056 2.600 1.00 0.00 C ATOM 1094 CG MET A 71 5.148 -4.955 1.396 1.00 0.00 C ATOM 1095 SD MET A 71 5.366 -3.936 -0.083 1.00 0.00 S ATOM 1096 CE MET A 71 3.611 -3.775 -0.504 1.00 0.00 C ATOM 0 H MET A 71 3.868 -3.007 4.617 1.00 0.00 H new ATOM 0 HA MET A 71 2.960 -5.122 2.981 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.327 -3.133 2.251 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.698 -3.774 3.136 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.062 -5.511 1.604 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.359 -5.688 1.231 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.509 -3.583 -1.572 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.090 -4.698 -0.250 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.177 -2.947 0.056 1.00 0.00 H new ATOM 1106 N MET A 72 5.144 -5.862 5.281 1.00 0.00 N ATOM 1107 CA MET A 72 5.834 -6.975 5.927 1.00 0.00 C ATOM 1108 C MET A 72 4.834 -7.986 6.484 1.00 0.00 C ATOM 1109 O MET A 72 4.967 -9.189 6.261 1.00 0.00 O ATOM 1110 CB MET A 72 6.713 -6.448 7.061 1.00 0.00 C ATOM 1111 CG MET A 72 7.688 -5.408 6.505 1.00 0.00 C ATOM 1112 SD MET A 72 8.856 -6.212 5.382 1.00 0.00 S ATOM 1113 CE MET A 72 10.207 -5.026 5.575 1.00 0.00 C ATOM 0 H MET A 72 5.182 -4.981 5.793 1.00 0.00 H new ATOM 0 HA MET A 72 6.453 -7.474 5.182 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.094 -6.003 7.840 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.263 -7.269 7.522 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.141 -4.626 5.978 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.226 -4.926 7.321 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.051 -5.332 4.957 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.870 -4.037 5.265 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.515 -4.993 6.620 1.00 0.00 H new ATOM 1123 N THR A 73 3.833 -7.488 7.206 1.00 0.00 N ATOM 1124 CA THR A 73 2.818 -8.357 7.790 1.00 0.00 C ATOM 1125 C THR A 73 2.039 -9.074 6.696 1.00 0.00 C ATOM 1126 O THR A 73 1.541 -10.181 6.894 1.00 0.00 O ATOM 1127 CB THR A 73 1.862 -7.538 8.659 1.00 0.00 C ATOM 1128 OG1 THR A 73 2.614 -6.749 9.572 1.00 0.00 O ATOM 1129 CG2 THR A 73 0.939 -8.479 9.434 1.00 0.00 C ATOM 0 H THR A 73 3.704 -6.495 7.399 1.00 0.00 H new ATOM 0 HA THR A 73 3.315 -9.102 8.411 1.00 0.00 H new ATOM 0 HB THR A 73 1.261 -6.887 8.024 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.972 -5.963 9.108 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.259 -7.894 10.053 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.363 -9.083 8.733 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.536 -9.132 10.070 1.00 0.00 H new ATOM 1137 N VAL A 74 1.942 -8.432 5.539 1.00 0.00 N ATOM 1138 CA VAL A 74 1.226 -9.019 4.410 1.00 0.00 C ATOM 1139 C VAL A 74 1.959 -10.257 3.895 1.00 0.00 C ATOM 1140 O VAL A 74 1.381 -11.087 3.192 1.00 0.00 O ATOM 1141 CB VAL A 74 1.079 -7.986 3.285 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.571 -8.677 2.009 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.080 -6.894 3.717 1.00 0.00 C ATOM 0 H VAL A 74 2.345 -7.513 5.357 1.00 0.00 H new ATOM 0 HA VAL A 74 0.234 -9.320 4.747 1.00 0.00 H new ATOM 0 HB VAL A 74 2.049 -7.531 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.468 -7.940 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.282 -9.445 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.398 -9.137 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.025 -6.160 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.889 -7.348 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.447 -6.401 4.617 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.931 -7.262 5.522 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.353 -7.282 5.196 1.00 0.00 C ATOM 1207 C GLY A 80 -6.581 -7.921 3.832 1.00 0.00 C ATOM 1208 O GLY A 80 -5.788 -8.747 3.384 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.899 -7.837 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.746 -6.265 5.198 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.670 -7.532 3.176 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.001 -8.068 1.854 1.00 0.00 C ATOM 1214 C ASN A 81 -7.516 -7.122 0.755 1.00 0.00 C ATOM 1215 O ASN A 81 -7.163 -7.551 -0.344 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.514 -8.259 1.739 1.00 0.00 C ATOM 1217 CG ASN A 81 -9.971 -9.384 2.664 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.219 -10.324 2.919 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.167 -9.342 3.188 1.00 0.00 N ATOM 0 H ASN A 81 -8.338 -6.850 3.534 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.502 -9.029 1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.026 -7.333 1.999 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.782 -8.493 0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.478 -10.089 3.809 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.790 -8.562 2.976 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.467 -5.832 1.066 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.004 -4.854 0.093 1.00 0.00 C ATOM 1228 C GLY A 82 -5.485 -4.929 -0.108 1.00 0.00 C ATOM 1229 O GLY A 82 -4.980 -4.986 -1.235 1.00 0.00 O ATOM 0 H GLY A 82 -7.738 -5.445 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.506 -5.023 -0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.278 -3.853 0.425 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.755 -4.926 0.995 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.305 -4.991 0.920 1.00 0.00 C ATOM 1235 C TRP A 83 -2.882 -6.297 0.251 1.00 0.00 C ATOM 1236 O TRP A 83 -2.005 -6.310 -0.614 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.706 -4.896 2.326 1.00 0.00 C ATOM 1238 CG TRP A 83 -2.983 -3.546 2.898 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.760 -3.309 3.979 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.510 -2.248 2.440 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.789 -1.947 4.218 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.036 -1.250 3.295 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.683 -1.841 1.378 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.752 0.103 3.103 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.397 -0.483 1.181 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.930 0.488 2.040 1.00 0.00 C ATOM 0 H TRP A 83 -5.135 -4.880 1.940 1.00 0.00 H new ATOM 0 HA TRP A 83 -2.937 -4.155 0.326 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.132 -5.668 2.967 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.631 -5.072 2.287 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.274 -4.060 4.561 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.304 -1.511 4.983 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.265 -2.580 0.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.164 0.846 3.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.761 -0.183 0.361 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.706 1.532 1.881 1.00 0.00 H new ATOM 1257 N SER A 84 -3.522 -7.394 0.652 1.00 0.00 N ATOM 1258 CA SER A 84 -3.215 -8.700 0.084 1.00 0.00 C ATOM 1259 C SER A 84 -3.487 -8.698 -1.421 1.00 0.00 C ATOM 1260 O SER A 84 -2.774 -9.343 -2.198 1.00 0.00 O ATOM 1261 CB SER A 84 -4.061 -9.779 0.762 1.00 0.00 C ATOM 1262 OG SER A 84 -3.587 -9.987 2.084 1.00 0.00 O ATOM 0 H SER A 84 -4.252 -7.402 1.364 1.00 0.00 H new ATOM 0 HA SER A 84 -2.160 -8.915 0.253 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.108 -9.477 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.009 -10.708 0.194 1.00 0.00 H new ATOM 0 HG SER A 84 -4.229 -9.614 2.724 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.510 -7.946 -1.831 1.00 0.00 N ATOM 1269 CA ARG A 85 -4.845 -7.855 -3.249 1.00 0.00 C ATOM 1270 C ARG A 85 -3.711 -7.206 -4.023 1.00 0.00 C ATOM 1271 O ARG A 85 -3.358 -7.650 -5.117 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.144 -7.051 -3.422 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.359 -7.941 -3.092 1.00 0.00 C ATOM 1274 CD ARG A 85 -7.828 -8.655 -4.356 1.00 0.00 C ATOM 1275 NE ARG A 85 -8.894 -9.587 -4.039 1.00 0.00 N ATOM 1276 CZ ARG A 85 -9.632 -10.128 -4.997 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -9.406 -9.823 -6.247 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -10.586 -10.961 -4.691 1.00 0.00 N ATOM 0 H ARG A 85 -5.110 -7.401 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.994 -8.860 -3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.132 -6.179 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.220 -6.681 -4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.091 -8.671 -2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.167 -7.334 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.178 -7.925 -5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.994 -9.187 -4.813 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.078 -9.829 -3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.661 -9.168 -6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.974 -10.240 -6.984 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.764 -11.196 -3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.155 -11.378 -5.428 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.132 -6.163 -3.447 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.019 -5.482 -4.100 1.00 0.00 C ATOM 1294 C LEU A 86 -0.795 -6.383 -4.174 1.00 0.00 C ATOM 1295 O LEU A 86 -0.107 -6.421 -5.179 1.00 0.00 O ATOM 1296 CB LEU A 86 -1.677 -4.191 -3.342 1.00 0.00 C ATOM 1297 CG LEU A 86 -2.597 -3.052 -3.810 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.678 -1.972 -2.724 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -2.076 -2.435 -5.133 1.00 0.00 C ATOM 0 H LEU A 86 -3.406 -5.773 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.320 -5.233 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.793 -4.347 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.635 -3.923 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.592 -3.460 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.331 -1.167 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.079 -2.406 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.682 -1.575 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.742 -1.631 -5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.073 -2.037 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.046 -3.203 -5.906 1.00 0.00 H new ATOM 1311 N ARG A 87 -0.544 -7.097 -3.095 1.00 0.00 N ATOM 1312 CA ARG A 87 0.608 -7.995 -3.039 1.00 0.00 C ATOM 1313 C ARG A 87 0.362 -9.231 -3.881 1.00 0.00 C ATOM 1314 O ARG A 87 1.298 -9.954 -4.221 1.00 0.00 O ATOM 1315 CB ARG A 87 0.909 -8.367 -1.559 1.00 0.00 C ATOM 1316 CG ARG A 87 2.083 -7.525 -1.034 1.00 0.00 C ATOM 1317 CD ARG A 87 3.410 -8.127 -1.538 1.00 0.00 C ATOM 1318 NE ARG A 87 4.394 -7.078 -1.734 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.573 -7.347 -2.280 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.862 -8.567 -2.643 1.00 0.00 N ATOM 1321 NH2 ARG A 87 6.435 -6.391 -2.471 1.00 0.00 N ATOM 0 H ARG A 87 -1.113 -7.079 -2.248 1.00 0.00 H new ATOM 0 HA ARG A 87 1.480 -7.488 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.025 -8.196 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.149 -9.428 -1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.986 -6.494 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.071 -7.504 0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.783 -8.856 -0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.244 -8.659 -2.475 1.00 0.00 H new ATOM 0 HE ARG A 87 4.177 -6.123 -1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.181 -9.314 -2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.769 -8.773 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.204 -5.435 -2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.341 -6.598 -2.891 1.00 0.00 H new ATOM 1335 N ARG A 88 -0.891 -9.461 -4.233 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.222 -10.609 -5.050 1.00 0.00 C ATOM 1337 C ARG A 88 -0.761 -10.376 -6.486 1.00 0.00 C ATOM 1338 O ARG A 88 -0.132 -11.237 -7.099 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.730 -10.851 -5.010 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.063 -12.115 -5.799 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.562 -12.399 -5.694 1.00 0.00 C ATOM 1342 NE ARG A 88 -4.875 -13.686 -6.303 1.00 0.00 N ATOM 1343 CZ ARG A 88 -6.127 -14.025 -6.587 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -7.102 -13.200 -6.318 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -6.382 -15.182 -7.133 1.00 0.00 N ATOM 0 H ARG A 88 -1.684 -8.876 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.712 -11.489 -4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.065 -10.955 -3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.258 -9.996 -5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.777 -11.991 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.494 -12.960 -5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.867 -12.400 -4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.125 -11.608 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.119 -14.337 -6.515 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.902 -12.296 -5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.064 -13.459 -6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.620 -15.827 -7.342 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.344 -15.442 -7.351 1.00 0.00 H new