USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 716 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 67 LYS NZ :NH3+ -163:sc= -0.0398 (180deg=-0.295) USER MOD Set 1.2: A 71 GLN : amide:sc= 0 K(o=-0.04,f=-0.58) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -90:sc= -0.323 USER MOD Single : A 31 THR OG1 : rot -92:sc= 0.671 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.21) USER MOD Single : A 46 TYR OH : rot 30:sc= 0 USER MOD Single : A 47 CYS SG : rot -159:sc= -1.37 USER MOD Single : A 48 THR OG1 : rot 78:sc= 0.725 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= -2.65 (180deg=-2.65) USER MOD Single : A 70 MET CE :methyl 165:sc= -1.82 (180deg=-2.93) USER MOD Single : A 72 GLN : amide:sc= -0.903 K(o=-0.9,f=-1.5) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.699 K(o=0.7,f=-0.018) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.572 K(o=-0.57,f=0.091) USER MOD Single : A 90 GLN : amide:sc= -3.96 K(o=-4,f=-8.1!) USER MOD Single : A 94 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 130:sc= -0.983 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 18 3.233 10.547 -6.129 1.00 0.00 N ATOM 127 CA PHE A 18 2.378 9.402 -6.421 1.00 0.00 C ATOM 128 C PHE A 18 3.080 8.424 -7.358 1.00 0.00 C ATOM 129 O PHE A 18 2.867 7.214 -7.283 1.00 0.00 O ATOM 130 CB PHE A 18 1.061 9.868 -7.043 1.00 0.00 C ATOM 131 CG PHE A 18 0.170 8.738 -7.476 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.253 7.783 -6.566 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.243 8.631 -8.794 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.073 6.743 -6.961 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.064 7.593 -9.196 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.478 6.647 -8.278 1.00 0.00 C ATOM 0 HA PHE A 18 2.166 8.889 -5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.526 10.486 -6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.278 10.499 -7.904 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.062 7.852 -5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.080 9.367 -9.516 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.397 6.006 -6.241 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.381 7.522 -10.226 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.117 5.834 -8.590 1.00 0.00 H new ATOM 146 N SER A 19 3.916 8.958 -8.242 1.00 0.00 N ATOM 147 CA SER A 19 4.647 8.133 -9.198 1.00 0.00 C ATOM 148 C SER A 19 5.536 7.124 -8.477 1.00 0.00 C ATOM 149 O SER A 19 5.772 6.022 -8.974 1.00 0.00 O ATOM 150 CB SER A 19 5.496 9.013 -10.118 1.00 0.00 C ATOM 151 OG SER A 19 4.680 9.862 -10.906 1.00 0.00 O ATOM 0 H SER A 19 4.104 9.958 -8.317 1.00 0.00 H new ATOM 0 HA SER A 19 3.921 7.586 -9.799 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.182 9.614 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.106 8.384 -10.767 1.00 0.00 H new ATOM 0 HG SER A 19 5.246 10.415 -11.484 1.00 0.00 H new ATOM 157 N ASP A 20 6.026 7.509 -7.305 1.00 0.00 N ATOM 158 CA ASP A 20 6.888 6.638 -6.514 1.00 0.00 C ATOM 159 C ASP A 20 6.080 5.527 -5.852 1.00 0.00 C ATOM 160 O ASP A 20 6.603 4.450 -5.568 1.00 0.00 O ATOM 161 CB ASP A 20 7.629 7.450 -5.449 1.00 0.00 C ATOM 162 CG ASP A 20 8.958 7.982 -5.947 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.583 7.314 -6.799 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.375 9.066 -5.487 1.00 0.00 O ATOM 0 H ASP A 20 5.842 8.418 -6.881 1.00 0.00 H new ATOM 0 HA ASP A 20 7.616 6.182 -7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.003 8.284 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.797 6.825 -4.572 1.00 0.00 H new ATOM 169 N VAL A 21 4.801 5.797 -5.609 1.00 0.00 N ATOM 170 CA VAL A 21 3.919 4.821 -4.982 1.00 0.00 C ATOM 171 C VAL A 21 3.572 3.692 -5.947 1.00 0.00 C ATOM 172 O VAL A 21 3.757 2.515 -5.638 1.00 0.00 O ATOM 173 CB VAL A 21 2.616 5.477 -4.487 1.00 0.00 C ATOM 174 CG1 VAL A 21 1.729 4.449 -3.801 1.00 0.00 C ATOM 175 CG2 VAL A 21 2.927 6.636 -3.552 1.00 0.00 C ATOM 0 H VAL A 21 4.353 6.684 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 21 4.458 4.412 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 21 2.075 5.870 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.813 4.930 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.480 3.655 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.257 4.024 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.996 7.089 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.488 6.270 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.520 7.382 -4.081 1.00 0.00 H new ATOM 185 N LYS A 22 3.068 4.060 -7.121 1.00 0.00 N ATOM 186 CA LYS A 22 2.695 3.081 -8.135 1.00 0.00 C ATOM 187 C LYS A 22 3.845 2.115 -8.405 1.00 0.00 C ATOM 188 O LYS A 22 3.625 0.936 -8.686 1.00 0.00 O ATOM 189 CB LYS A 22 2.292 3.787 -9.431 1.00 0.00 C ATOM 190 CG LYS A 22 3.252 4.887 -9.848 1.00 0.00 C ATOM 191 CD LYS A 22 2.961 5.376 -11.257 1.00 0.00 C ATOM 192 CE LYS A 22 4.202 5.967 -11.910 1.00 0.00 C ATOM 193 NZ LYS A 22 4.991 4.934 -12.636 1.00 0.00 N ATOM 0 H LYS A 22 2.909 5.030 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 22 1.845 2.511 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.227 3.050 -10.231 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.296 4.213 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.177 5.721 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.276 4.517 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.590 4.548 -11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.172 6.127 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.907 6.754 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.827 6.432 -11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.828 5.376 -13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.294 4.196 -11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.403 4.508 -13.380 1.00 0.00 H new ATOM 207 N THR A 23 5.071 2.620 -8.318 1.00 0.00 N ATOM 208 CA THR A 23 6.253 1.802 -8.554 1.00 0.00 C ATOM 209 C THR A 23 6.539 0.892 -7.365 1.00 0.00 C ATOM 210 O THR A 23 6.725 -0.314 -7.524 1.00 0.00 O ATOM 211 CB THR A 23 7.494 2.675 -8.826 1.00 0.00 C ATOM 212 OG1 THR A 23 7.160 3.733 -9.732 1.00 0.00 O ATOM 213 CG2 THR A 23 8.625 1.840 -9.409 1.00 0.00 C ATOM 0 H THR A 23 5.271 3.593 -8.086 1.00 0.00 H new ATOM 0 HA THR A 23 6.045 1.192 -9.433 1.00 0.00 H new ATOM 0 HB THR A 23 7.827 3.100 -7.879 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.672 4.434 -9.251 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.490 2.477 -9.593 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.897 1.053 -8.705 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.299 1.391 -10.347 1.00 0.00 H new ATOM 221 N LEU A 24 6.570 1.478 -6.172 1.00 0.00 N ATOM 222 CA LEU A 24 6.830 0.718 -4.955 1.00 0.00 C ATOM 223 C LEU A 24 5.882 -0.472 -4.840 1.00 0.00 C ATOM 224 O LEU A 24 6.237 -1.510 -4.282 1.00 0.00 O ATOM 225 CB LEU A 24 6.686 1.620 -3.726 1.00 0.00 C ATOM 226 CG LEU A 24 6.835 0.933 -2.368 1.00 0.00 C ATOM 227 CD1 LEU A 24 8.261 1.064 -1.858 1.00 0.00 C ATOM 228 CD2 LEU A 24 5.852 1.517 -1.365 1.00 0.00 C ATOM 0 H LEU A 24 6.418 2.476 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 24 7.851 0.340 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.431 2.413 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.707 2.098 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 24 6.611 -0.127 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.348 0.569 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.945 0.598 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.513 2.119 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.972 1.016 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.045 2.583 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.834 1.371 -1.726 1.00 0.00 H new ATOM 240 N LEU A 25 4.677 -0.314 -5.376 1.00 0.00 N ATOM 241 CA LEU A 25 3.678 -1.376 -5.336 1.00 0.00 C ATOM 242 C LEU A 25 3.956 -2.425 -6.407 1.00 0.00 C ATOM 243 O LEU A 25 3.978 -3.624 -6.128 1.00 0.00 O ATOM 244 CB LEU A 25 2.276 -0.793 -5.530 1.00 0.00 C ATOM 245 CG LEU A 25 1.515 -0.438 -4.252 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.186 0.220 -4.588 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.296 -1.681 -3.400 1.00 0.00 C ATOM 0 H LEU A 25 4.368 0.539 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 25 3.733 -1.856 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.359 0.106 -6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.681 -1.510 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 25 2.114 0.271 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.342 0.466 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.365 1.132 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.420 -0.465 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.753 -1.410 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.718 -2.412 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.260 -2.112 -3.130 1.00 0.00 H new ATOM 259 N LYS A 26 4.170 -1.967 -7.637 1.00 0.00 N ATOM 260 CA LYS A 26 4.451 -2.864 -8.750 1.00 0.00 C ATOM 261 C LYS A 26 5.637 -3.769 -8.435 1.00 0.00 C ATOM 262 O LYS A 26 5.639 -4.950 -8.783 1.00 0.00 O ATOM 263 CB LYS A 26 4.734 -2.060 -10.022 1.00 0.00 C ATOM 264 CG LYS A 26 3.512 -1.864 -10.901 1.00 0.00 C ATOM 265 CD LYS A 26 3.400 -2.958 -11.951 1.00 0.00 C ATOM 266 CE LYS A 26 4.501 -2.844 -12.994 1.00 0.00 C ATOM 267 NZ LYS A 26 4.253 -3.736 -14.161 1.00 0.00 N ATOM 0 H LYS A 26 4.154 -0.978 -7.887 1.00 0.00 H new ATOM 0 HA LYS A 26 3.572 -3.489 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.132 -1.084 -9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.508 -2.567 -10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.615 -1.859 -10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.567 -0.892 -11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.454 -3.934 -11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.427 -2.897 -12.439 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.573 -1.811 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.459 -3.097 -12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.025 -3.630 -14.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.209 -4.724 -13.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.351 -3.478 -14.610 1.00 0.00 H new ATOM 281 N GLU A 27 6.644 -3.208 -7.772 1.00 0.00 N ATOM 282 CA GLU A 27 7.836 -3.966 -7.409 1.00 0.00 C ATOM 283 C GLU A 27 7.552 -4.896 -6.234 1.00 0.00 C ATOM 284 O GLU A 27 7.940 -6.064 -6.246 1.00 0.00 O ATOM 285 CB GLU A 27 8.983 -3.017 -7.056 1.00 0.00 C ATOM 286 CG GLU A 27 9.618 -2.354 -8.267 1.00 0.00 C ATOM 287 CD GLU A 27 10.563 -1.230 -7.889 1.00 0.00 C ATOM 288 OE1 GLU A 27 11.054 -1.230 -6.740 1.00 0.00 O ATOM 289 OE2 GLU A 27 10.810 -0.349 -8.740 1.00 0.00 O ATOM 0 H GLU A 27 6.658 -2.232 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 27 8.126 -4.571 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.611 -2.245 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.748 -3.571 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.162 -3.103 -8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.834 -1.962 -8.915 1.00 0.00 H new ATOM 296 N TRP A 28 6.873 -4.369 -5.221 1.00 0.00 N ATOM 297 CA TRP A 28 6.536 -5.152 -4.037 1.00 0.00 C ATOM 298 C TRP A 28 5.623 -6.319 -4.397 1.00 0.00 C ATOM 299 O TRP A 28 5.509 -7.285 -3.642 1.00 0.00 O ATOM 300 CB TRP A 28 5.863 -4.266 -2.988 1.00 0.00 C ATOM 301 CG TRP A 28 5.303 -5.036 -1.830 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.974 -5.917 -1.031 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.958 -4.993 -1.344 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.126 -6.425 -0.077 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.884 -5.874 -0.247 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.810 -4.295 -1.726 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.705 -6.074 0.468 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.641 -4.496 -1.016 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.597 -5.379 0.071 1.00 0.00 C ATOM 0 H TRP A 28 6.545 -3.403 -5.196 1.00 0.00 H new ATOM 0 HA TRP A 28 7.461 -5.554 -3.623 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.587 -3.541 -2.617 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.060 -3.701 -3.461 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.017 -6.176 -1.134 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.380 -7.103 0.642 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.835 -3.611 -2.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.668 -6.754 1.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.747 -3.963 -1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.669 -5.513 0.606 1.00 0.00 H new ATOM 320 N ILE A 29 4.975 -6.222 -5.553 1.00 0.00 N ATOM 321 CA ILE A 29 4.073 -7.271 -6.012 1.00 0.00 C ATOM 322 C ILE A 29 4.779 -8.225 -6.967 1.00 0.00 C ATOM 323 O ILE A 29 4.502 -9.425 -6.983 1.00 0.00 O ATOM 324 CB ILE A 29 2.836 -6.681 -6.716 1.00 0.00 C ATOM 325 CG1 ILE A 29 2.064 -5.770 -5.758 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.940 -7.795 -7.234 1.00 0.00 C ATOM 327 CD1 ILE A 29 1.259 -4.699 -6.462 1.00 0.00 C ATOM 0 H ILE A 29 5.058 -5.428 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 29 3.751 -7.819 -5.127 1.00 0.00 H new ATOM 0 HB ILE A 29 3.169 -6.085 -7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.393 -6.379 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.768 -5.295 -5.075 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.070 -7.362 -7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.495 -8.407 -7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.612 -8.415 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.738 -4.091 -5.723 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.927 -4.067 -7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.531 -5.167 -7.125 1.00 0.00 H new ATOM 339 N THR A 30 5.698 -7.686 -7.762 1.00 0.00 N ATOM 340 CA THR A 30 6.447 -8.489 -8.721 1.00 0.00 C ATOM 341 C THR A 30 7.619 -9.195 -8.049 1.00 0.00 C ATOM 342 O THR A 30 7.675 -10.425 -8.006 1.00 0.00 O ATOM 343 CB THR A 30 6.979 -7.627 -9.882 1.00 0.00 C ATOM 344 OG1 THR A 30 7.751 -6.537 -9.369 1.00 0.00 O ATOM 345 CG2 THR A 30 5.833 -7.091 -10.727 1.00 0.00 C ATOM 0 H THR A 30 5.942 -6.696 -7.761 1.00 0.00 H new ATOM 0 HA THR A 30 5.757 -9.233 -9.118 1.00 0.00 H new ATOM 0 HB THR A 30 7.611 -8.254 -10.511 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.167 -5.764 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.233 -6.485 -11.540 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.265 -7.924 -11.140 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.179 -6.479 -10.106 1.00 0.00 H new ATOM 353 N THR A 31 8.555 -8.411 -7.524 1.00 0.00 N ATOM 354 CA THR A 31 9.726 -8.962 -6.854 1.00 0.00 C ATOM 355 C THR A 31 9.325 -9.978 -5.791 1.00 0.00 C ATOM 356 O THR A 31 9.880 -11.075 -5.727 1.00 0.00 O ATOM 357 CB THR A 31 10.570 -7.854 -6.197 1.00 0.00 C ATOM 358 OG1 THR A 31 9.879 -7.319 -5.062 1.00 0.00 O ATOM 359 CG2 THR A 31 10.866 -6.739 -7.188 1.00 0.00 C ATOM 0 H THR A 31 8.525 -7.392 -7.550 1.00 0.00 H new ATOM 0 HA THR A 31 10.323 -9.458 -7.619 1.00 0.00 H new ATOM 0 HB THR A 31 11.515 -8.292 -5.874 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.342 -6.548 -5.340 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.463 -5.968 -6.701 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.418 -7.143 -8.037 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.929 -6.305 -7.538 1.00 0.00 H new ATOM 367 N ILE A 32 8.357 -9.606 -4.959 1.00 0.00 N ATOM 368 CA ILE A 32 7.880 -10.486 -3.900 1.00 0.00 C ATOM 369 C ILE A 32 6.682 -11.307 -4.365 1.00 0.00 C ATOM 370 O ILE A 32 5.866 -10.838 -5.158 1.00 0.00 O ATOM 371 CB ILE A 32 7.487 -9.691 -2.641 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.580 -8.679 -2.290 1.00 0.00 C ATOM 373 CG2 ILE A 32 7.237 -10.635 -1.475 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.925 -9.312 -2.015 1.00 0.00 C ATOM 0 H ILE A 32 7.888 -8.701 -4.998 1.00 0.00 H new ATOM 0 HA ILE A 32 8.703 -11.157 -3.653 1.00 0.00 H new ATOM 0 HB ILE A 32 6.565 -9.146 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.683 -7.969 -3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.269 -8.111 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.960 -10.058 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.428 -11.320 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.143 -11.204 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.650 -8.535 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.838 -10.001 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.258 -9.857 -2.898 1.00 0.00 H new ATOM 386 N SER A 33 6.582 -12.534 -3.864 1.00 0.00 N ATOM 387 CA SER A 33 5.485 -13.422 -4.229 1.00 0.00 C ATOM 388 C SER A 33 4.639 -13.771 -3.008 1.00 0.00 C ATOM 389 O SER A 33 3.415 -13.648 -3.031 1.00 0.00 O ATOM 390 CB SER A 33 6.025 -14.700 -4.872 1.00 0.00 C ATOM 391 OG SER A 33 5.035 -15.330 -5.667 1.00 0.00 O ATOM 0 H SER A 33 7.248 -12.936 -3.204 1.00 0.00 H new ATOM 0 HA SER A 33 4.855 -12.901 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.893 -14.462 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.363 -15.386 -4.096 1.00 0.00 H new ATOM 0 HG SER A 33 5.406 -16.143 -6.068 1.00 0.00 H new ATOM 397 N ASP A 34 5.304 -14.208 -1.943 1.00 0.00 N ATOM 398 CA ASP A 34 4.614 -14.575 -0.711 1.00 0.00 C ATOM 399 C ASP A 34 5.059 -13.684 0.445 1.00 0.00 C ATOM 400 O ASP A 34 5.717 -14.129 1.386 1.00 0.00 O ATOM 401 CB ASP A 34 4.880 -16.043 -0.372 1.00 0.00 C ATOM 402 CG ASP A 34 6.303 -16.462 -0.686 1.00 0.00 C ATOM 403 OD1 ASP A 34 7.230 -15.967 -0.012 1.00 0.00 O ATOM 404 OD2 ASP A 34 6.489 -17.284 -1.608 1.00 0.00 O ATOM 0 H ASP A 34 6.318 -14.316 -1.908 1.00 0.00 H new ATOM 0 HA ASP A 34 3.544 -14.434 -0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.680 -16.210 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.187 -16.673 -0.930 1.00 0.00 H new ATOM 409 N PRO A 35 4.691 -12.396 0.375 1.00 0.00 N ATOM 410 CA PRO A 35 5.040 -11.416 1.407 1.00 0.00 C ATOM 411 C PRO A 35 4.294 -11.660 2.715 1.00 0.00 C ATOM 412 O PRO A 35 3.101 -11.959 2.712 1.00 0.00 O ATOM 413 CB PRO A 35 4.615 -10.082 0.789 1.00 0.00 C ATOM 414 CG PRO A 35 3.543 -10.440 -0.182 1.00 0.00 C ATOM 415 CD PRO A 35 3.905 -11.798 -0.718 1.00 0.00 C ATOM 0 HA PRO A 35 6.097 -11.461 1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.247 -9.393 1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.452 -9.591 0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.567 -10.460 0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.484 -9.706 -0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.018 -12.390 -0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.485 -11.726 -1.638 1.00 0.00 H new ATOM 423 N MET A 36 5.006 -11.528 3.830 1.00 0.00 N ATOM 424 CA MET A 36 4.408 -11.732 5.145 1.00 0.00 C ATOM 425 C MET A 36 3.390 -10.640 5.455 1.00 0.00 C ATOM 426 O MET A 36 3.386 -9.585 4.821 1.00 0.00 O ATOM 427 CB MET A 36 5.493 -11.756 6.223 1.00 0.00 C ATOM 428 CG MET A 36 6.235 -13.079 6.309 1.00 0.00 C ATOM 429 SD MET A 36 6.934 -13.377 7.946 1.00 0.00 S ATOM 430 CE MET A 36 7.658 -15.000 7.713 1.00 0.00 C ATOM 0 H MET A 36 5.996 -11.281 3.849 1.00 0.00 H new ATOM 0 HA MET A 36 3.892 -12.692 5.137 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.210 -10.959 6.023 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.038 -11.541 7.190 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.553 -13.891 6.056 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.035 -13.092 5.569 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.131 -15.324 8.640 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.879 -15.710 7.436 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.406 -14.955 6.921 1.00 0.00 H new ATOM 440 N GLU A 37 2.528 -10.901 6.433 1.00 0.00 N ATOM 441 CA GLU A 37 1.505 -9.939 6.825 1.00 0.00 C ATOM 442 C GLU A 37 2.134 -8.608 7.227 1.00 0.00 C ATOM 443 O GLU A 37 1.486 -7.564 7.178 1.00 0.00 O ATOM 444 CB GLU A 37 0.670 -10.492 7.982 1.00 0.00 C ATOM 445 CG GLU A 37 1.504 -11.080 9.107 1.00 0.00 C ATOM 446 CD GLU A 37 0.665 -11.491 10.301 1.00 0.00 C ATOM 447 OE1 GLU A 37 0.311 -10.607 11.111 1.00 0.00 O ATOM 448 OE2 GLU A 37 0.363 -12.696 10.427 1.00 0.00 O ATOM 0 H GLU A 37 2.518 -11.770 6.968 1.00 0.00 H new ATOM 0 HA GLU A 37 0.855 -9.769 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.046 -9.693 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.002 -11.260 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.049 -11.947 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.247 -10.348 9.424 1.00 0.00 H new ATOM 455 N GLU A 38 3.401 -8.657 7.627 1.00 0.00 N ATOM 456 CA GLU A 38 4.117 -7.456 8.040 1.00 0.00 C ATOM 457 C GLU A 38 4.006 -6.365 6.979 1.00 0.00 C ATOM 458 O GLU A 38 3.813 -5.191 7.298 1.00 0.00 O ATOM 459 CB GLU A 38 5.589 -7.779 8.304 1.00 0.00 C ATOM 460 CG GLU A 38 6.296 -8.408 7.115 1.00 0.00 C ATOM 461 CD GLU A 38 7.541 -9.177 7.517 1.00 0.00 C ATOM 462 OE1 GLU A 38 7.737 -9.394 8.731 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.318 -9.561 6.618 1.00 0.00 O ATOM 0 H GLU A 38 3.952 -9.514 7.674 1.00 0.00 H new ATOM 0 HA GLU A 38 3.662 -7.091 8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.109 -6.863 8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.657 -8.455 9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.608 -9.080 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.569 -7.628 6.405 1.00 0.00 H new ATOM 470 N ASP A 39 4.132 -6.760 5.717 1.00 0.00 N ATOM 471 CA ASP A 39 4.045 -5.816 4.608 1.00 0.00 C ATOM 472 C ASP A 39 2.671 -5.155 4.564 1.00 0.00 C ATOM 473 O ASP A 39 2.531 -4.026 4.092 1.00 0.00 O ATOM 474 CB ASP A 39 4.326 -6.526 3.284 1.00 0.00 C ATOM 475 CG ASP A 39 5.655 -7.258 3.288 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.697 -6.591 3.122 1.00 0.00 O ATOM 477 OD2 ASP A 39 5.651 -8.495 3.457 1.00 0.00 O ATOM 0 H ASP A 39 4.295 -7.727 5.436 1.00 0.00 H new ATOM 0 HA ASP A 39 4.796 -5.041 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.525 -7.236 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.320 -5.795 2.475 1.00 0.00 H new ATOM 482 N ILE A 40 1.663 -5.864 5.057 1.00 0.00 N ATOM 483 CA ILE A 40 0.301 -5.345 5.073 1.00 0.00 C ATOM 484 C ILE A 40 0.182 -4.141 6.001 1.00 0.00 C ATOM 485 O ILE A 40 -0.508 -3.169 5.691 1.00 0.00 O ATOM 486 CB ILE A 40 -0.708 -6.422 5.517 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.401 -7.752 4.825 1.00 0.00 C ATOM 488 CG2 ILE A 40 -2.129 -5.976 5.211 1.00 0.00 C ATOM 489 CD1 ILE A 40 -0.436 -7.671 3.316 1.00 0.00 C ATOM 0 H ILE A 40 1.763 -6.800 5.451 1.00 0.00 H new ATOM 0 HA ILE A 40 0.069 -5.039 4.053 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.617 -6.563 6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.584 -8.097 5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.121 -8.500 5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.829 -6.748 5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.342 -5.049 5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.236 -5.811 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.209 -8.650 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.428 -7.357 2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.304 -6.948 2.973 1.00 0.00 H new ATOM 501 N LEU A 41 0.860 -4.212 7.142 1.00 0.00 N ATOM 502 CA LEU A 41 0.832 -3.127 8.117 1.00 0.00 C ATOM 503 C LEU A 41 1.582 -1.905 7.593 1.00 0.00 C ATOM 504 O LEU A 41 1.262 -0.771 7.947 1.00 0.00 O ATOM 505 CB LEU A 41 1.447 -3.587 9.440 1.00 0.00 C ATOM 506 CG LEU A 41 0.547 -4.440 10.336 1.00 0.00 C ATOM 507 CD1 LEU A 41 -0.739 -3.697 10.663 1.00 0.00 C ATOM 508 CD2 LEU A 41 0.241 -5.773 9.670 1.00 0.00 C ATOM 0 H LEU A 41 1.435 -5.009 7.414 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.209 -2.849 8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.351 -4.155 9.220 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.754 -2.705 10.002 1.00 0.00 H new ATOM 0 HG LEU A 41 1.076 -4.636 11.269 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.367 -4.319 11.301 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.501 -2.769 11.182 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.273 -3.470 9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.400 -6.367 10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.268 -5.598 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.171 -6.311 9.488 1.00 0.00 H new ATOM 520 N GLN A 42 2.579 -2.148 6.748 1.00 0.00 N ATOM 521 CA GLN A 42 3.372 -1.067 6.175 1.00 0.00 C ATOM 522 C GLN A 42 2.577 -0.310 5.115 1.00 0.00 C ATOM 523 O GLN A 42 2.541 0.921 5.113 1.00 0.00 O ATOM 524 CB GLN A 42 4.661 -1.620 5.563 1.00 0.00 C ATOM 525 CG GLN A 42 5.600 -2.241 6.584 1.00 0.00 C ATOM 526 CD GLN A 42 6.011 -1.265 7.669 1.00 0.00 C ATOM 527 OE1 GLN A 42 5.963 -1.584 8.857 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.419 -0.068 7.265 1.00 0.00 N ATOM 0 H GLN A 42 2.856 -3.082 6.446 1.00 0.00 H new ATOM 0 HA GLN A 42 3.626 -0.374 6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.406 -2.369 4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.182 -0.815 5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.114 -3.103 7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.491 -2.609 6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.443 0.154 6.270 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.709 0.630 7.950 1.00 0.00 H new ATOM 537 N VAL A 43 1.942 -1.054 4.215 1.00 0.00 N ATOM 538 CA VAL A 43 1.147 -0.454 3.152 1.00 0.00 C ATOM 539 C VAL A 43 -0.055 0.293 3.718 1.00 0.00 C ATOM 540 O VAL A 43 -0.455 1.334 3.196 1.00 0.00 O ATOM 541 CB VAL A 43 0.652 -1.518 2.152 1.00 0.00 C ATOM 542 CG1 VAL A 43 1.821 -2.112 1.383 1.00 0.00 C ATOM 543 CG2 VAL A 43 -0.130 -2.603 2.875 1.00 0.00 C ATOM 0 H VAL A 43 1.963 -2.074 4.202 1.00 0.00 H new ATOM 0 HA VAL A 43 1.796 0.250 2.631 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.015 -1.038 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.452 -2.861 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.334 -1.322 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.516 -2.579 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.472 -3.346 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.512 -3.083 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.991 -2.159 3.375 1.00 0.00 H new ATOM 553 N VAL A 44 -0.629 -0.245 4.790 1.00 0.00 N ATOM 554 CA VAL A 44 -1.785 0.371 5.429 1.00 0.00 C ATOM 555 C VAL A 44 -1.375 1.592 6.246 1.00 0.00 C ATOM 556 O VAL A 44 -2.091 2.593 6.287 1.00 0.00 O ATOM 557 CB VAL A 44 -2.515 -0.626 6.349 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.641 0.067 7.101 1.00 0.00 C ATOM 559 CG2 VAL A 44 -3.046 -1.802 5.543 1.00 0.00 C ATOM 0 H VAL A 44 -0.312 -1.107 5.234 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.461 0.680 4.631 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.803 -1.008 7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.145 -0.653 7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.230 0.873 7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.356 0.478 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.559 -2.497 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.744 -1.440 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.216 -2.313 5.055 1.00 0.00 H new ATOM 569 N ARG A 45 -0.219 1.502 6.895 1.00 0.00 N ATOM 570 CA ARG A 45 0.286 2.600 7.712 1.00 0.00 C ATOM 571 C ARG A 45 0.588 3.823 6.851 1.00 0.00 C ATOM 572 O ARG A 45 0.554 4.956 7.332 1.00 0.00 O ATOM 573 CB ARG A 45 1.547 2.167 8.462 1.00 0.00 C ATOM 574 CG ARG A 45 1.263 1.505 9.800 1.00 0.00 C ATOM 575 CD ARG A 45 0.792 2.516 10.833 1.00 0.00 C ATOM 576 NE ARG A 45 0.114 1.876 11.957 1.00 0.00 N ATOM 577 CZ ARG A 45 -1.157 1.494 11.927 1.00 0.00 C ATOM 578 NH1 ARG A 45 -1.885 1.685 10.836 1.00 0.00 N ATOM 579 NH2 ARG A 45 -1.703 0.917 12.991 1.00 0.00 N ATOM 0 H ARG A 45 0.386 0.681 6.871 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.485 2.867 8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.112 1.475 7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.180 3.039 8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.504 0.734 9.672 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.164 1.008 10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.647 3.083 11.201 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.116 3.229 10.360 1.00 0.00 H new ATOM 0 HE ARG A 45 0.646 1.714 12.812 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.469 2.127 10.016 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.861 1.390 10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.146 0.767 13.832 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.680 0.624 12.967 1.00 0.00 H new ATOM 593 N TYR A 46 0.881 3.586 5.578 1.00 0.00 N ATOM 594 CA TYR A 46 1.192 4.669 4.652 1.00 0.00 C ATOM 595 C TYR A 46 -0.065 5.453 4.289 1.00 0.00 C ATOM 596 O TYR A 46 -0.087 6.682 4.365 1.00 0.00 O ATOM 597 CB TYR A 46 1.841 4.112 3.383 1.00 0.00 C ATOM 598 CG TYR A 46 1.996 5.137 2.282 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.793 6.261 2.460 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.346 4.981 1.065 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.937 7.200 1.457 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.485 5.914 0.056 1.00 0.00 C ATOM 603 CZ TYR A 46 2.282 7.022 0.257 1.00 0.00 C ATOM 604 OH TYR A 46 2.422 7.955 -0.745 1.00 0.00 O ATOM 0 H TYR A 46 0.910 2.655 5.163 1.00 0.00 H new ATOM 0 HA TYR A 46 1.891 5.345 5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.822 3.709 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.241 3.281 3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.309 6.403 3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.721 4.115 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.559 8.069 1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.973 5.777 -0.885 1.00 0.00 H new ATOM 0 HH TYR A 46 3.304 8.377 -0.679 1.00 0.00 H new ATOM 614 N CYS A 47 -1.110 4.734 3.896 1.00 0.00 N ATOM 615 CA CYS A 47 -2.373 5.361 3.522 1.00 0.00 C ATOM 616 C CYS A 47 -2.988 6.096 4.708 1.00 0.00 C ATOM 617 O CYS A 47 -3.433 7.237 4.583 1.00 0.00 O ATOM 618 CB CYS A 47 -3.351 4.311 2.993 1.00 0.00 C ATOM 619 SG CYS A 47 -2.969 3.718 1.329 1.00 0.00 S ATOM 0 H CYS A 47 -1.108 3.716 3.828 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.170 6.087 2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.360 3.462 3.676 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.356 4.733 2.995 1.00 0.00 H new ATOM 0 HG CYS A 47 -4.036 3.199 0.798 1.00 0.00 H new ATOM 625 N THR A 48 -3.011 5.433 5.861 1.00 0.00 N ATOM 626 CA THR A 48 -3.574 6.021 7.069 1.00 0.00 C ATOM 627 C THR A 48 -2.898 7.345 7.403 1.00 0.00 C ATOM 628 O THR A 48 -3.561 8.321 7.756 1.00 0.00 O ATOM 629 CB THR A 48 -3.438 5.069 8.273 1.00 0.00 C ATOM 630 OG1 THR A 48 -4.079 3.822 7.986 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.051 5.685 9.522 1.00 0.00 C ATOM 0 H THR A 48 -2.646 4.488 5.982 1.00 0.00 H new ATOM 0 HA THR A 48 -4.632 6.197 6.872 1.00 0.00 H new ATOM 0 HB THR A 48 -2.377 4.898 8.455 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.504 3.286 7.401 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.943 4.995 10.359 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.541 6.620 9.755 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.109 5.882 9.349 1.00 0.00 H new ATOM 639 N ASP A 49 -1.575 7.373 7.289 1.00 0.00 N ATOM 640 CA ASP A 49 -0.808 8.580 7.578 1.00 0.00 C ATOM 641 C ASP A 49 -1.282 9.744 6.713 1.00 0.00 C ATOM 642 O ASP A 49 -1.339 10.887 7.169 1.00 0.00 O ATOM 643 CB ASP A 49 0.683 8.330 7.346 1.00 0.00 C ATOM 644 CG ASP A 49 1.334 7.597 8.503 1.00 0.00 C ATOM 645 OD1 ASP A 49 0.753 7.600 9.608 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.424 7.022 8.303 1.00 0.00 O ATOM 0 H ASP A 49 -1.011 6.574 6.999 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.966 8.840 8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.813 7.750 6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.189 9.283 7.193 1.00 0.00 H new ATOM 651 N LEU A 50 -1.619 9.447 5.463 1.00 0.00 N ATOM 652 CA LEU A 50 -2.087 10.469 4.533 1.00 0.00 C ATOM 653 C LEU A 50 -3.379 11.108 5.031 1.00 0.00 C ATOM 654 O LEU A 50 -3.505 12.333 5.063 1.00 0.00 O ATOM 655 CB LEU A 50 -2.306 9.863 3.146 1.00 0.00 C ATOM 656 CG LEU A 50 -1.064 9.297 2.457 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.400 8.829 1.050 1.00 0.00 C ATOM 658 CD2 LEU A 50 0.047 10.336 2.423 1.00 0.00 C ATOM 0 H LEU A 50 -1.577 8.507 5.070 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.322 11.243 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.044 9.066 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.738 10.628 2.501 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.715 8.438 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.504 8.429 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.163 8.052 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.775 9.670 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.923 9.916 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.293 11.214 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.308 10.623 3.442 1.00 0.00 H new ATOM 670 N ILE A 51 -4.334 10.271 5.422 1.00 0.00 N ATOM 671 CA ILE A 51 -5.615 10.755 5.922 1.00 0.00 C ATOM 672 C ILE A 51 -5.422 11.706 7.098 1.00 0.00 C ATOM 673 O ILE A 51 -6.214 12.627 7.300 1.00 0.00 O ATOM 674 CB ILE A 51 -6.525 9.592 6.360 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.786 8.650 5.183 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.834 10.125 6.920 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.110 7.232 5.604 1.00 0.00 C ATOM 0 H ILE A 51 -4.245 9.255 5.402 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.093 11.289 5.101 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.020 9.030 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.612 9.042 4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.908 8.637 4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.466 9.291 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.629 10.759 7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.347 10.708 6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.283 6.620 4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.275 6.821 6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.005 7.233 6.226 1.00 0.00 H new ATOM 689 N GLU A 52 -4.366 11.476 7.871 1.00 0.00 N ATOM 690 CA GLU A 52 -4.068 12.314 9.026 1.00 0.00 C ATOM 691 C GLU A 52 -3.669 13.720 8.592 1.00 0.00 C ATOM 692 O GLU A 52 -3.832 14.683 9.340 1.00 0.00 O ATOM 693 CB GLU A 52 -2.950 11.689 9.863 1.00 0.00 C ATOM 694 CG GLU A 52 -3.307 10.329 10.439 1.00 0.00 C ATOM 695 CD GLU A 52 -4.410 10.407 11.477 1.00 0.00 C ATOM 696 OE1 GLU A 52 -4.650 11.512 12.006 1.00 0.00 O ATOM 697 OE2 GLU A 52 -5.033 9.362 11.759 1.00 0.00 O ATOM 0 H GLU A 52 -3.703 10.716 7.718 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.971 12.384 9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.058 11.589 9.245 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.698 12.365 10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.619 9.667 9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.419 9.885 10.890 1.00 0.00 H new ATOM 704 N GLU A 53 -3.141 13.830 7.376 1.00 0.00 N ATOM 705 CA GLU A 53 -2.717 15.118 6.841 1.00 0.00 C ATOM 706 C GLU A 53 -3.629 15.562 5.701 1.00 0.00 C ATOM 707 O GLU A 53 -3.307 16.489 4.957 1.00 0.00 O ATOM 708 CB GLU A 53 -1.269 15.039 6.351 1.00 0.00 C ATOM 709 CG GLU A 53 -1.009 13.876 5.408 1.00 0.00 C ATOM 710 CD GLU A 53 0.366 13.939 4.771 1.00 0.00 C ATOM 711 OE1 GLU A 53 0.539 14.718 3.810 1.00 0.00 O ATOM 712 OE2 GLU A 53 1.267 13.207 5.232 1.00 0.00 O ATOM 0 H GLU A 53 -2.997 13.043 6.744 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.783 15.855 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.014 15.970 5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.607 14.953 7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.109 12.939 5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.768 13.870 4.626 1.00 0.00 H new ATOM 719 N LYS A 54 -4.769 14.893 5.569 1.00 0.00 N ATOM 720 CA LYS A 54 -5.729 15.217 4.520 1.00 0.00 C ATOM 721 C LYS A 54 -5.131 14.972 3.140 1.00 0.00 C ATOM 722 O LYS A 54 -5.655 15.447 2.132 1.00 0.00 O ATOM 723 CB LYS A 54 -6.176 16.675 4.643 1.00 0.00 C ATOM 724 CG LYS A 54 -6.510 17.091 6.065 1.00 0.00 C ATOM 725 CD LYS A 54 -7.830 17.841 6.131 1.00 0.00 C ATOM 726 CE LYS A 54 -9.012 16.886 6.183 1.00 0.00 C ATOM 727 NZ LYS A 54 -10.308 17.597 6.003 1.00 0.00 N ATOM 0 H LYS A 54 -5.051 14.123 6.175 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.595 14.566 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.387 17.322 4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.051 16.832 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.560 16.207 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.712 17.721 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.841 18.483 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.924 18.491 5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.902 16.129 5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.014 16.363 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.089 16.911 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.425 18.302 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.316 18.075 5.080 1.00 0.00 H new ATOM 741 N ASP A 55 -4.032 14.226 3.099 1.00 0.00 N ATOM 742 CA ASP A 55 -3.363 13.916 1.842 1.00 0.00 C ATOM 743 C ASP A 55 -3.799 12.551 1.318 1.00 0.00 C ATOM 744 O ASP A 55 -3.051 11.882 0.603 1.00 0.00 O ATOM 745 CB ASP A 55 -1.845 13.946 2.024 1.00 0.00 C ATOM 746 CG ASP A 55 -1.114 14.290 0.742 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.477 15.300 0.104 1.00 0.00 O ATOM 748 OD2 ASP A 55 -0.178 13.549 0.377 1.00 0.00 O ATOM 0 H ASP A 55 -3.586 13.825 3.924 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.647 14.674 1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.589 14.676 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.506 12.974 2.382 1.00 0.00 H new ATOM 753 N LEU A 56 -5.009 12.143 1.678 1.00 0.00 N ATOM 754 CA LEU A 56 -5.545 10.857 1.246 1.00 0.00 C ATOM 755 C LEU A 56 -5.934 10.898 -0.229 1.00 0.00 C ATOM 756 O LEU A 56 -6.268 9.871 -0.820 1.00 0.00 O ATOM 757 CB LEU A 56 -6.759 10.475 2.095 1.00 0.00 C ATOM 758 CG LEU A 56 -7.701 11.619 2.471 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.102 12.409 1.235 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.932 11.081 3.186 1.00 0.00 C ATOM 0 H LEU A 56 -5.640 12.685 2.269 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.767 10.105 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.332 9.721 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.403 10.008 3.013 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.175 12.290 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.772 13.219 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.211 12.825 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.610 11.750 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.592 11.908 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.460 10.388 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.627 10.560 4.094 1.00 0.00 H new ATOM 772 N GLU A 57 -5.886 12.089 -0.816 1.00 0.00 N ATOM 773 CA GLU A 57 -6.232 12.261 -2.222 1.00 0.00 C ATOM 774 C GLU A 57 -5.353 11.387 -3.111 1.00 0.00 C ATOM 775 O GLU A 57 -5.830 10.772 -4.064 1.00 0.00 O ATOM 776 CB GLU A 57 -6.089 13.730 -2.629 1.00 0.00 C ATOM 777 CG GLU A 57 -7.239 14.606 -2.163 1.00 0.00 C ATOM 778 CD GLU A 57 -8.390 14.632 -3.149 1.00 0.00 C ATOM 779 OE1 GLU A 57 -9.060 13.590 -3.307 1.00 0.00 O ATOM 780 OE2 GLU A 57 -8.620 15.694 -3.764 1.00 0.00 O ATOM 0 H GLU A 57 -5.611 12.949 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.269 11.954 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.157 14.122 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.013 13.792 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.599 14.244 -1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.877 15.622 -2.007 1.00 0.00 H new ATOM 787 N LYS A 58 -4.064 11.337 -2.791 1.00 0.00 N ATOM 788 CA LYS A 58 -3.116 10.538 -3.558 1.00 0.00 C ATOM 789 C LYS A 58 -3.341 9.049 -3.321 1.00 0.00 C ATOM 790 O LYS A 58 -3.200 8.236 -4.235 1.00 0.00 O ATOM 791 CB LYS A 58 -1.680 10.913 -3.182 1.00 0.00 C ATOM 792 CG LYS A 58 -1.032 11.888 -4.150 1.00 0.00 C ATOM 793 CD LYS A 58 -1.759 13.222 -4.168 1.00 0.00 C ATOM 794 CE LYS A 58 -1.485 14.024 -2.906 1.00 0.00 C ATOM 795 NZ LYS A 58 -0.267 14.872 -3.042 1.00 0.00 N ATOM 0 H LYS A 58 -3.652 11.841 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.276 10.748 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.677 11.350 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.077 10.006 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.009 12.044 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.030 11.460 -5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.446 13.796 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.831 13.052 -4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.345 14.656 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.362 13.344 -2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.114 15.403 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.558 14.267 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.394 15.538 -3.830 1.00 0.00 H new ATOM 809 N LEU A 59 -3.695 8.697 -2.089 1.00 0.00 N ATOM 810 CA LEU A 59 -3.942 7.305 -1.732 1.00 0.00 C ATOM 811 C LEU A 59 -5.177 6.769 -2.450 1.00 0.00 C ATOM 812 O LEU A 59 -5.284 5.572 -2.712 1.00 0.00 O ATOM 813 CB LEU A 59 -4.118 7.169 -0.219 1.00 0.00 C ATOM 814 CG LEU A 59 -5.548 6.937 0.272 1.00 0.00 C ATOM 815 CD1 LEU A 59 -5.909 5.462 0.186 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.711 7.445 1.698 1.00 0.00 C ATOM 0 H LEU A 59 -3.817 9.357 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.079 6.717 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.498 6.342 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.735 8.073 0.254 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.228 7.495 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.930 5.316 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.832 5.128 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.224 4.883 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.734 7.272 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.021 6.915 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.494 8.513 1.731 1.00 0.00 H new ATOM 828 N ASP A 60 -6.105 7.666 -2.765 1.00 0.00 N ATOM 829 CA ASP A 60 -7.333 7.285 -3.455 1.00 0.00 C ATOM 830 C ASP A 60 -7.020 6.571 -4.766 1.00 0.00 C ATOM 831 O ASP A 60 -7.699 5.615 -5.143 1.00 0.00 O ATOM 832 CB ASP A 60 -8.194 8.519 -3.726 1.00 0.00 C ATOM 833 CG ASP A 60 -9.424 8.573 -2.840 1.00 0.00 C ATOM 834 OD1 ASP A 60 -9.307 8.236 -1.644 1.00 0.00 O ATOM 835 OD2 ASP A 60 -10.503 8.950 -3.344 1.00 0.00 O ATOM 0 H ASP A 60 -6.031 8.661 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.885 6.600 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.597 9.417 -3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.502 8.521 -4.771 1.00 0.00 H new ATOM 840 N LEU A 61 -5.987 7.040 -5.457 1.00 0.00 N ATOM 841 CA LEU A 61 -5.583 6.448 -6.728 1.00 0.00 C ATOM 842 C LEU A 61 -4.822 5.144 -6.503 1.00 0.00 C ATOM 843 O LEU A 61 -4.861 4.239 -7.336 1.00 0.00 O ATOM 844 CB LEU A 61 -4.716 7.429 -7.519 1.00 0.00 C ATOM 845 CG LEU A 61 -5.165 8.890 -7.495 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.073 9.793 -8.050 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.455 9.065 -8.283 1.00 0.00 C ATOM 0 H LEU A 61 -5.413 7.829 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.484 6.228 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.698 7.376 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.681 7.097 -8.557 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.353 9.175 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.410 10.829 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.173 9.690 -7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.853 9.508 -9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.759 10.111 -8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.293 8.762 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.237 8.447 -7.842 1.00 0.00 H new ATOM 859 N VAL A 62 -4.132 5.057 -5.371 1.00 0.00 N ATOM 860 CA VAL A 62 -3.365 3.863 -5.034 1.00 0.00 C ATOM 861 C VAL A 62 -4.267 2.640 -4.934 1.00 0.00 C ATOM 862 O VAL A 62 -3.865 1.528 -5.282 1.00 0.00 O ATOM 863 CB VAL A 62 -2.607 4.040 -3.704 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.800 2.792 -3.381 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.708 5.266 -3.762 1.00 0.00 C ATOM 0 H VAL A 62 -4.088 5.798 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.644 3.713 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.335 4.190 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.271 2.934 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.471 1.937 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.079 2.609 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.181 5.376 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.984 5.149 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.314 6.153 -3.944 1.00 0.00 H new ATOM 875 N ILE A 63 -5.490 2.850 -4.455 1.00 0.00 N ATOM 876 CA ILE A 63 -6.450 1.763 -4.311 1.00 0.00 C ATOM 877 C ILE A 63 -6.804 1.159 -5.665 1.00 0.00 C ATOM 878 O ILE A 63 -6.990 -0.052 -5.787 1.00 0.00 O ATOM 879 CB ILE A 63 -7.741 2.241 -3.621 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.413 2.924 -2.291 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.689 1.073 -3.402 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.715 2.016 -1.302 1.00 0.00 C ATOM 0 H ILE A 63 -5.838 3.762 -4.161 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.976 1.003 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.233 2.966 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.782 3.792 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.336 3.294 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.597 1.428 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.945 0.627 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.206 0.326 -2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.513 2.566 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.353 1.160 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.775 1.667 -1.729 1.00 0.00 H new ATOM 894 N LYS A 64 -6.895 2.009 -6.681 1.00 0.00 N ATOM 895 CA LYS A 64 -7.224 1.561 -8.029 1.00 0.00 C ATOM 896 C LYS A 64 -6.047 0.824 -8.659 1.00 0.00 C ATOM 897 O LYS A 64 -6.231 -0.049 -9.508 1.00 0.00 O ATOM 898 CB LYS A 64 -7.620 2.752 -8.903 1.00 0.00 C ATOM 899 CG LYS A 64 -8.714 3.615 -8.296 1.00 0.00 C ATOM 900 CD LYS A 64 -9.591 4.238 -9.369 1.00 0.00 C ATOM 901 CE LYS A 64 -10.797 3.364 -9.679 1.00 0.00 C ATOM 902 NZ LYS A 64 -11.953 4.167 -10.168 1.00 0.00 N ATOM 0 H LYS A 64 -6.745 3.014 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.067 0.873 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.740 3.369 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.955 2.385 -9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.328 3.010 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.264 4.402 -7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.928 5.221 -9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.006 4.388 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.525 2.623 -10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.088 2.816 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.755 3.535 -10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.229 4.857 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.683 4.670 -11.037 1.00 0.00 H new ATOM 916 N TYR A 65 -4.838 1.179 -8.237 1.00 0.00 N ATOM 917 CA TYR A 65 -3.630 0.551 -8.761 1.00 0.00 C ATOM 918 C TYR A 65 -3.343 -0.762 -8.041 1.00 0.00 C ATOM 919 O TYR A 65 -2.854 -1.718 -8.642 1.00 0.00 O ATOM 920 CB TYR A 65 -2.436 1.496 -8.618 1.00 0.00 C ATOM 921 CG TYR A 65 -1.407 1.341 -9.715 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.751 1.523 -11.049 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.090 1.012 -9.417 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.814 1.381 -12.053 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.854 0.869 -10.415 1.00 0.00 C ATOM 926 CZ TYR A 65 0.487 1.055 -11.732 1.00 0.00 C ATOM 927 OH TYR A 65 1.425 0.913 -12.729 1.00 0.00 O ATOM 0 H TYR A 65 -4.668 1.898 -7.534 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.791 0.337 -9.818 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.796 2.525 -8.612 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.957 1.320 -7.655 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.768 1.780 -11.305 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.200 0.866 -8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.099 1.525 -13.085 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.873 0.613 -10.166 1.00 0.00 H new ATOM 0 HH TYR A 65 2.291 0.683 -12.333 1.00 0.00 H new ATOM 937 N MET A 66 -3.650 -0.801 -6.749 1.00 0.00 N ATOM 938 CA MET A 66 -3.426 -1.997 -5.946 1.00 0.00 C ATOM 939 C MET A 66 -4.454 -3.075 -6.278 1.00 0.00 C ATOM 940 O MET A 66 -4.158 -4.268 -6.223 1.00 0.00 O ATOM 941 CB MET A 66 -3.490 -1.656 -4.456 1.00 0.00 C ATOM 942 CG MET A 66 -2.332 -2.226 -3.652 1.00 0.00 C ATOM 943 SD MET A 66 -2.513 -1.948 -1.880 1.00 0.00 S ATOM 944 CE MET A 66 -2.813 -0.183 -1.844 1.00 0.00 C ATOM 0 H MET A 66 -4.055 -0.018 -6.236 1.00 0.00 H new ATOM 0 HA MET A 66 -2.434 -2.382 -6.181 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.504 -0.572 -4.340 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.427 -2.032 -4.045 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.255 -3.297 -3.842 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.401 -1.774 -3.993 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.946 0.142 -0.812 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.963 0.340 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.713 0.045 -2.415 1.00 0.00 H new ATOM 954 N LYS A 67 -5.664 -2.645 -6.620 1.00 0.00 N ATOM 955 CA LYS A 67 -6.737 -3.573 -6.962 1.00 0.00 C ATOM 956 C LYS A 67 -6.532 -4.152 -8.358 1.00 0.00 C ATOM 957 O LYS A 67 -6.834 -5.319 -8.606 1.00 0.00 O ATOM 958 CB LYS A 67 -8.092 -2.866 -6.885 1.00 0.00 C ATOM 959 CG LYS A 67 -8.288 -1.807 -7.956 1.00 0.00 C ATOM 960 CD LYS A 67 -9.658 -1.158 -7.854 1.00 0.00 C ATOM 961 CE LYS A 67 -10.757 -2.099 -8.322 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.662 -2.381 -9.780 1.00 0.00 N ATOM 0 H LYS A 67 -5.927 -1.661 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.719 -4.392 -6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.885 -3.609 -6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.195 -2.402 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.515 -1.044 -7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.171 -2.258 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.846 -0.863 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.676 -0.248 -8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.695 -3.035 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.730 -1.660 -8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.563 -2.776 -10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.458 -1.499 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.898 -3.066 -9.952 1.00 0.00 H new ATOM 976 N ARG A 68 -6.015 -3.329 -9.265 1.00 0.00 N ATOM 977 CA ARG A 68 -5.769 -3.761 -10.636 1.00 0.00 C ATOM 978 C ARG A 68 -4.468 -4.553 -10.731 1.00 0.00 C ATOM 979 O ARG A 68 -4.289 -5.365 -11.640 1.00 0.00 O ATOM 980 CB ARG A 68 -5.712 -2.551 -11.571 1.00 0.00 C ATOM 981 CG ARG A 68 -4.420 -1.758 -11.464 1.00 0.00 C ATOM 982 CD ARG A 68 -4.469 -0.496 -12.309 1.00 0.00 C ATOM 983 NE ARG A 68 -4.737 -0.788 -13.715 1.00 0.00 N ATOM 984 CZ ARG A 68 -4.983 0.147 -14.626 1.00 0.00 C ATOM 985 NH1 ARG A 68 -4.995 1.427 -14.280 1.00 0.00 N ATOM 986 NH2 ARG A 68 -5.218 -0.198 -15.885 1.00 0.00 N ATOM 0 H ARG A 68 -5.759 -2.360 -9.075 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.591 -4.409 -10.940 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.835 -2.891 -12.599 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.552 -1.892 -11.350 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.240 -1.493 -10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.583 -2.379 -11.784 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.242 0.169 -11.923 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.521 0.034 -12.223 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.735 -1.763 -14.014 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.815 1.695 -13.313 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.184 2.143 -14.981 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.210 -1.182 -16.154 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.407 0.520 -16.584 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.564 -4.311 -9.789 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.279 -5.001 -9.766 1.00 0.00 C ATOM 1002 C LEU A 69 -2.426 -6.406 -9.189 1.00 0.00 C ATOM 1003 O LEU A 69 -2.061 -7.391 -9.829 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.264 -4.204 -8.947 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.524 -3.092 -9.693 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.115 -2.123 -8.710 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.526 -3.680 -10.623 1.00 0.00 C ATOM 0 H LEU A 69 -3.697 -3.642 -9.031 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.921 -5.085 -10.792 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.781 -3.761 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.526 -4.898 -8.545 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.247 -2.542 -10.296 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.637 -1.339 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.658 -1.676 -8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.825 -2.659 -8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.042 -2.874 -11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.246 -4.255 -10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.043 -4.333 -11.350 1.00 0.00 H new ATOM 1019 N MET A 70 -2.962 -6.488 -7.976 1.00 0.00 N ATOM 1020 CA MET A 70 -3.159 -7.771 -7.313 1.00 0.00 C ATOM 1021 C MET A 70 -4.008 -8.703 -8.174 1.00 0.00 C ATOM 1022 O MET A 70 -3.916 -9.924 -8.058 1.00 0.00 O ATOM 1023 CB MET A 70 -3.825 -7.569 -5.951 1.00 0.00 C ATOM 1024 CG MET A 70 -2.835 -7.402 -4.810 1.00 0.00 C ATOM 1025 SD MET A 70 -3.173 -5.941 -3.807 1.00 0.00 S ATOM 1026 CE MET A 70 -1.604 -5.741 -2.964 1.00 0.00 C ATOM 0 H MET A 70 -3.268 -5.681 -7.432 1.00 0.00 H new ATOM 0 HA MET A 70 -2.181 -8.230 -7.166 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.467 -6.689 -5.996 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.469 -8.423 -5.740 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.864 -8.288 -4.176 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.826 -7.334 -5.216 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.555 -4.748 -2.518 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.512 -6.495 -2.182 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.789 -5.859 -3.679 1.00 0.00 H new ATOM 1036 N GLN A 71 -4.833 -8.116 -9.035 1.00 0.00 N ATOM 1037 CA GLN A 71 -5.698 -8.895 -9.914 1.00 0.00 C ATOM 1038 C GLN A 71 -4.875 -9.784 -10.840 1.00 0.00 C ATOM 1039 O GLN A 71 -5.215 -10.946 -11.063 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.590 -7.966 -10.740 1.00 0.00 C ATOM 1041 CG GLN A 71 -7.943 -7.696 -10.102 1.00 0.00 C ATOM 1042 CD GLN A 71 -8.712 -6.596 -10.806 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.467 -6.303 -11.978 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -9.646 -5.976 -10.094 1.00 0.00 N ATOM 0 H GLN A 71 -4.921 -7.106 -9.143 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.326 -9.533 -9.292 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.073 -7.018 -10.890 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.744 -8.405 -11.726 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.534 -8.611 -10.113 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.799 -7.422 -9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.816 -6.251 -9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.193 -5.225 -10.515 1.00 0.00 H new ATOM 1053 N GLN A 72 -3.792 -9.230 -11.375 1.00 0.00 N ATOM 1054 CA GLN A 72 -2.921 -9.975 -12.278 1.00 0.00 C ATOM 1055 C GLN A 72 -2.442 -11.269 -11.628 1.00 0.00 C ATOM 1056 O GLN A 72 -2.127 -12.240 -12.315 1.00 0.00 O ATOM 1057 CB GLN A 72 -1.721 -9.118 -12.683 1.00 0.00 C ATOM 1058 CG GLN A 72 -0.609 -9.100 -11.647 1.00 0.00 C ATOM 1059 CD GLN A 72 0.148 -7.788 -11.625 1.00 0.00 C ATOM 1060 OE1 GLN A 72 0.425 -7.234 -10.560 1.00 0.00 O ATOM 1061 NE2 GLN A 72 0.487 -7.279 -12.804 1.00 0.00 N ATOM 0 H GLN A 72 -3.497 -8.270 -11.200 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.494 -10.229 -13.169 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.321 -9.490 -13.626 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.058 -8.097 -12.860 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.034 -9.286 -10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.087 -9.913 -11.853 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.238 -7.771 -13.662 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.996 -6.397 -12.851 1.00 0.00 H new ATOM 1070 N SER A 73 -2.388 -11.274 -10.300 1.00 0.00 N ATOM 1071 CA SER A 73 -1.943 -12.447 -9.558 1.00 0.00 C ATOM 1072 C SER A 73 -3.125 -13.345 -9.201 1.00 0.00 C ATOM 1073 O SER A 73 -4.252 -12.875 -9.045 1.00 0.00 O ATOM 1074 CB SER A 73 -1.208 -12.023 -8.285 1.00 0.00 C ATOM 1075 OG SER A 73 -0.036 -11.290 -8.593 1.00 0.00 O ATOM 0 H SER A 73 -2.647 -10.479 -9.716 1.00 0.00 H new ATOM 0 HA SER A 73 -1.260 -13.010 -10.193 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.868 -11.416 -7.665 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.946 -12.906 -7.702 1.00 0.00 H new ATOM 0 HG SER A 73 0.414 -11.029 -7.763 1.00 0.00 H new ATOM 1081 N VAL A 74 -2.857 -14.642 -9.075 1.00 0.00 N ATOM 1082 CA VAL A 74 -3.897 -15.607 -8.736 1.00 0.00 C ATOM 1083 C VAL A 74 -3.784 -16.046 -7.281 1.00 0.00 C ATOM 1084 O VAL A 74 -4.735 -16.579 -6.709 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.826 -16.849 -9.644 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.852 -16.442 -11.109 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.581 -17.666 -9.331 1.00 0.00 C ATOM 0 H VAL A 74 -1.930 -15.048 -9.202 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.855 -15.109 -8.889 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.700 -17.471 -9.449 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.801 -17.333 -11.735 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.775 -15.902 -11.320 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.998 -15.799 -11.323 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.546 -18.540 -9.981 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.694 -17.055 -9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.610 -17.989 -8.290 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.616 -15.819 -6.688 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.381 -16.193 -5.298 1.00 0.00 C ATOM 1099 C GLU A 75 -3.478 -15.642 -4.392 1.00 0.00 C ATOM 1100 O GLU A 75 -3.802 -14.455 -4.444 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.016 -15.681 -4.834 1.00 0.00 C ATOM 1102 CG GLU A 75 0.139 -16.154 -5.701 1.00 0.00 C ATOM 1103 CD GLU A 75 0.668 -17.512 -5.278 1.00 0.00 C ATOM 1104 OE1 GLU A 75 0.479 -17.882 -4.100 1.00 0.00 O ATOM 1105 OE2 GLU A 75 1.270 -18.203 -6.126 1.00 0.00 O ATOM 0 H GLU A 75 -1.819 -15.379 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.395 -17.281 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.030 -14.591 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.845 -16.006 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.188 -16.203 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.946 -15.423 -5.655 1.00 0.00 H new ATOM 1112 N SER A 76 -4.047 -16.512 -3.564 1.00 0.00 N ATOM 1113 CA SER A 76 -5.111 -16.114 -2.649 1.00 0.00 C ATOM 1114 C SER A 76 -4.587 -15.142 -1.597 1.00 0.00 C ATOM 1115 O SER A 76 -5.353 -14.385 -1.000 1.00 0.00 O ATOM 1116 CB SER A 76 -5.713 -17.344 -1.969 1.00 0.00 C ATOM 1117 OG SER A 76 -6.776 -17.883 -2.736 1.00 0.00 O ATOM 0 H SER A 76 -3.789 -17.497 -3.508 1.00 0.00 H new ATOM 0 HA SER A 76 -5.886 -15.612 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.941 -18.101 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.077 -17.074 -0.978 1.00 0.00 H new ATOM 0 HG SER A 76 -7.142 -18.669 -2.280 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.277 -15.168 -1.376 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.649 -14.289 -0.396 1.00 0.00 C ATOM 1125 C VAL A 77 -2.735 -12.831 -0.833 1.00 0.00 C ATOM 1126 O VAL A 77 -2.937 -11.937 -0.010 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.171 -14.661 -0.175 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.401 -14.595 -1.484 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.543 -13.748 0.869 1.00 0.00 C ATOM 0 H VAL A 77 -2.629 -15.788 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.192 -14.418 0.540 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.124 -15.685 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.641 -14.861 -1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.837 -15.293 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.454 -13.583 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.501 -14.025 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.601 -12.714 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.079 -13.851 1.812 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.581 -12.598 -2.131 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.641 -11.246 -2.677 1.00 0.00 C ATOM 1141 C TRP A 78 -4.081 -10.748 -2.741 1.00 0.00 C ATOM 1142 O TRP A 78 -4.369 -9.609 -2.382 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.013 -11.210 -4.072 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.521 -11.076 -4.048 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.391 -12.006 -4.460 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.231 -9.949 -3.587 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.666 -11.524 -4.282 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.596 -10.263 -3.749 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.113 -8.704 -3.056 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.610 -9.379 -3.397 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.896 -7.826 -2.705 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.244 -8.167 -2.878 1.00 0.00 C ATOM 0 H TRP A 78 -2.414 -13.326 -2.825 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.078 -10.588 -2.015 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.280 -12.122 -4.607 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.437 -10.376 -4.632 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.146 -12.977 -4.866 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.525 -12.024 -4.510 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.149 -8.432 -2.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.650 -9.640 -3.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.641 -6.862 -2.291 1.00 0.00 H new ATOM 0 HH2 TRP A 78 3.009 -7.459 -2.596 1.00 0.00 H new ATOM 1163 N ASN A 79 -4.982 -11.612 -3.199 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.392 -11.260 -3.310 1.00 0.00 C ATOM 1165 C ASN A 79 -6.987 -10.962 -1.937 1.00 0.00 C ATOM 1166 O ASN A 79 -7.592 -9.912 -1.727 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.171 -12.392 -3.983 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.852 -12.514 -5.460 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.380 -11.767 -6.285 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.986 -13.461 -5.802 1.00 0.00 N ATOM 0 H ASN A 79 -4.760 -12.561 -3.499 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.470 -10.362 -3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.941 -13.334 -3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.240 -12.218 -3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.734 -13.592 -6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.573 -14.057 -5.085 1.00 0.00 H new ATOM 1177 N MET A 80 -6.811 -11.897 -1.008 1.00 0.00 N ATOM 1178 CA MET A 80 -7.331 -11.734 0.346 1.00 0.00 C ATOM 1179 C MET A 80 -6.667 -10.551 1.044 1.00 0.00 C ATOM 1180 O MET A 80 -7.262 -9.920 1.916 1.00 0.00 O ATOM 1181 CB MET A 80 -7.108 -13.012 1.157 1.00 0.00 C ATOM 1182 CG MET A 80 -7.788 -14.234 0.564 1.00 0.00 C ATOM 1183 SD MET A 80 -9.459 -14.476 1.199 1.00 0.00 S ATOM 1184 CE MET A 80 -9.644 -16.246 0.998 1.00 0.00 C ATOM 0 H MET A 80 -6.314 -12.773 -1.167 1.00 0.00 H new ATOM 0 HA MET A 80 -8.401 -11.538 0.278 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.037 -13.203 1.232 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.476 -12.858 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.827 -14.133 -0.521 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.190 -15.119 0.780 1.00 0.00 H new ATOM 0 HE1 MET A 80 -10.630 -16.551 1.348 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.536 -16.506 -0.055 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.878 -16.760 1.579 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.430 -10.258 0.655 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.686 -9.152 1.242 1.00 0.00 C ATOM 1196 C ALA A 81 -5.350 -7.816 0.928 1.00 0.00 C ATOM 1197 O ALA A 81 -5.541 -6.982 1.814 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.248 -9.158 0.745 1.00 0.00 C ATOM 0 H ALA A 81 -4.922 -10.772 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.685 -9.283 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.705 -8.326 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.770 -10.096 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.238 -9.056 -0.340 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.700 -7.618 -0.338 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.341 -6.381 -0.770 1.00 0.00 C ATOM 1206 C PHE A 82 -7.615 -6.122 0.029 1.00 0.00 C ATOM 1207 O PHE A 82 -7.852 -5.007 0.495 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.668 -6.445 -2.264 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.520 -5.305 -2.741 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -7.131 -3.993 -2.521 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.711 -5.544 -3.408 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.913 -2.940 -2.959 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.497 -4.496 -3.849 1.00 0.00 C ATOM 1214 CZ PHE A 82 -9.098 -3.193 -3.623 1.00 0.00 C ATOM 0 H PHE A 82 -5.551 -8.298 -1.083 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.647 -5.560 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.737 -6.454 -2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.180 -7.384 -2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.206 -3.791 -2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.029 -6.561 -3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.598 -1.922 -2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.422 -4.696 -4.370 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.712 -2.373 -3.965 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.432 -7.159 0.182 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.682 -7.044 0.925 1.00 0.00 C ATOM 1226 C ASP A 83 -9.437 -6.456 2.311 1.00 0.00 C ATOM 1227 O ASP A 83 -10.196 -5.607 2.779 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.353 -8.413 1.048 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.814 -8.307 1.441 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.623 -7.862 0.600 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.148 -8.671 2.588 1.00 0.00 O ATOM 0 H ASP A 83 -8.251 -8.088 -0.198 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.343 -6.372 0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.272 -8.941 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.822 -9.010 1.790 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.375 -6.915 2.965 1.00 0.00 N ATOM 1237 CA PHE A 84 -8.031 -6.437 4.299 1.00 0.00 C ATOM 1238 C PHE A 84 -7.424 -5.039 4.236 1.00 0.00 C ATOM 1239 O PHE A 84 -7.869 -4.125 4.931 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.054 -7.401 4.974 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.634 -6.964 6.348 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.404 -7.282 7.455 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.470 -6.235 6.533 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -7.020 -6.882 8.722 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -5.081 -5.833 7.797 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.858 -6.156 8.892 1.00 0.00 C ATOM 0 H PHE A 84 -7.737 -7.618 2.592 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.947 -6.389 4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.515 -8.386 5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.168 -7.505 4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.314 -7.849 7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.860 -5.978 5.680 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.628 -7.137 9.577 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.171 -5.267 7.928 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.557 -5.841 9.880 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.405 -4.881 3.398 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.736 -3.595 3.244 1.00 0.00 C ATOM 1258 C ILE A 85 -6.741 -2.482 2.969 1.00 0.00 C ATOM 1259 O ILE A 85 -6.809 -1.496 3.704 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.702 -3.632 2.103 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.640 -4.697 2.381 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -4.056 -2.265 1.928 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -3.032 -5.286 1.128 1.00 0.00 C ATOM 0 H ILE A 85 -6.025 -5.627 2.816 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.221 -3.392 4.183 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.215 -3.891 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.848 -4.259 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.086 -5.498 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.328 -2.308 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.823 -1.528 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.554 -1.979 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.288 -6.034 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.814 -5.754 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.556 -4.495 0.548 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.521 -2.647 1.906 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.526 -1.656 1.534 1.00 0.00 C ATOM 1277 C LEU A 86 -9.551 -1.475 2.649 1.00 0.00 C ATOM 1278 O LEU A 86 -10.092 -0.385 2.837 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.229 -2.076 0.242 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.359 -3.095 0.393 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.689 -2.390 0.609 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.425 -4.002 -0.827 1.00 0.00 C ATOM 0 H LEU A 86 -7.477 -3.457 1.287 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.021 -0.704 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.633 -1.183 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.483 -2.489 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.153 -3.711 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.481 -3.131 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.637 -1.784 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.904 -1.749 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.235 -4.721 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.607 -3.401 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.480 -4.535 -0.936 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.811 -2.549 3.387 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.768 -2.508 4.486 1.00 0.00 C ATOM 1296 C ASP A 87 -10.229 -1.678 5.646 1.00 0.00 C ATOM 1297 O ASP A 87 -10.990 -1.047 6.378 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.090 -3.925 4.963 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.750 -3.941 6.328 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.882 -3.429 6.446 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.132 -4.465 7.278 1.00 0.00 O ATOM 0 H ASP A 87 -9.372 -3.459 3.244 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.682 -2.039 4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.747 -4.408 4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.171 -4.510 5.000 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.910 -1.685 5.809 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.268 -0.933 6.881 1.00 0.00 C ATOM 1308 C ASN A 88 -8.267 0.561 6.574 1.00 0.00 C ATOM 1309 O ASN A 88 -8.567 1.384 7.439 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.833 -1.424 7.088 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.767 -2.673 7.946 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.941 -2.774 8.853 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.641 -3.631 7.664 1.00 0.00 N ATOM 0 H ASN A 88 -8.265 -2.203 5.212 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.837 -1.097 7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.378 -1.628 6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.245 -0.634 7.556 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.646 -4.494 8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.308 -3.505 6.903 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.927 0.904 5.336 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.888 2.300 4.913 1.00 0.00 C ATOM 1322 C VAL A 89 -9.295 2.871 4.775 1.00 0.00 C ATOM 1323 O VAL A 89 -9.511 4.065 4.975 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.147 2.460 3.572 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.717 1.955 3.690 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.889 1.729 2.463 1.00 0.00 C ATOM 0 H VAL A 89 -7.675 0.235 4.608 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.349 2.850 5.685 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.114 3.520 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.208 2.076 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.191 2.526 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.725 0.901 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.352 1.853 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.955 0.669 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.893 2.141 2.364 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.247 2.009 4.431 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.633 2.429 4.266 1.00 0.00 C ATOM 1338 C GLN A 90 -12.309 2.620 5.620 1.00 0.00 C ATOM 1339 O GLN A 90 -13.207 3.449 5.766 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.404 1.399 3.438 1.00 0.00 C ATOM 1341 CG GLN A 90 -12.120 1.480 1.947 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.801 2.662 1.286 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.910 2.542 0.765 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.139 3.813 1.303 1.00 0.00 N ATOM 0 H GLN A 90 -10.084 1.017 4.261 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.637 3.384 3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.154 0.399 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.472 1.538 3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.044 1.551 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.452 0.559 1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.222 3.867 1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.548 4.643 0.873 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.872 1.847 6.609 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.434 1.932 7.951 1.00 0.00 C ATOM 1355 C VAL A 91 -11.881 3.137 8.703 1.00 0.00 C ATOM 1356 O VAL A 91 -12.632 3.906 9.304 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.143 0.656 8.764 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.328 0.915 10.250 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -13.034 -0.486 8.297 1.00 0.00 C ATOM 0 H VAL A 91 -11.130 1.155 6.506 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.512 2.042 7.836 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.105 0.368 8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.118 0.002 10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.644 1.701 10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.355 1.228 10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.816 -1.380 8.881 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.080 -0.210 8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.845 -0.687 7.242 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.561 3.297 8.666 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.907 4.410 9.343 1.00 0.00 C ATOM 1371 C VAL A 92 -10.519 5.742 8.928 1.00 0.00 C ATOM 1372 O VAL A 92 -10.785 6.605 9.766 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.396 4.437 9.046 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.146 4.420 7.546 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.749 5.653 9.691 1.00 0.00 C ATOM 0 H VAL A 92 -9.925 2.670 8.174 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.057 4.262 10.412 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.942 3.543 9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.073 4.440 7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.574 3.515 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.611 5.294 7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.681 5.657 9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.204 6.561 9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.897 5.614 10.770 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.741 5.905 7.628 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.324 7.134 7.100 1.00 0.00 C ATOM 1387 C LEU A 93 -12.818 7.201 7.399 1.00 0.00 C ATOM 1388 O LEU A 93 -13.392 8.285 7.494 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.090 7.225 5.590 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.189 6.638 4.704 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.244 7.690 4.396 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.596 6.081 3.418 1.00 0.00 C ATOM 0 H LEU A 93 -10.526 5.202 6.921 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.836 7.977 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.959 8.274 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.154 6.718 5.356 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.667 5.820 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.018 7.255 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.690 8.042 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.781 8.529 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.392 5.667 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.092 6.880 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.878 5.296 3.658 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.438 6.036 7.548 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.866 5.964 7.838 1.00 0.00 C ATOM 1406 C GLN A 94 -15.165 6.494 9.236 1.00 0.00 C ATOM 1407 O GLN A 94 -16.280 6.932 9.518 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.362 4.522 7.711 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.755 4.304 8.277 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.229 2.872 8.129 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.354 2.620 7.696 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.371 1.925 8.488 1.00 0.00 N ATOM 0 H GLN A 94 -12.976 5.130 7.473 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.390 6.587 7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.358 4.237 6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.664 3.860 8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.761 4.577 9.332 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.456 4.968 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.449 2.180 8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.634 0.943 8.410 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.162 6.451 10.107 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.319 6.927 11.477 1.00 0.00 C ATOM 1423 C GLN A 95 -14.218 8.447 11.540 1.00 0.00 C ATOM 1424 O GLN A 95 -14.893 9.093 12.342 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.260 6.295 12.383 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.216 4.778 12.301 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.777 4.137 13.603 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.604 3.771 14.438 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.469 3.995 13.781 1.00 0.00 N ATOM 0 H GLN A 95 -13.233 6.092 9.889 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.309 6.633 11.826 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.281 6.693 12.116 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.454 6.589 13.414 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.203 4.404 12.031 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.533 4.480 11.505 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.819 4.313 13.062 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.114 3.568 14.637 1.00 0.00 H new ATOM 1438 N THR A 96 -13.369 9.015 10.688 1.00 0.00 N ATOM 1439 CA THR A 96 -13.178 10.459 10.648 1.00 0.00 C ATOM 1440 C THR A 96 -14.198 11.122 9.729 1.00 0.00 C ATOM 1441 O THR A 96 -14.619 12.255 9.970 1.00 0.00 O ATOM 1442 CB THR A 96 -11.760 10.824 10.170 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.503 12.211 10.418 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.596 10.530 8.687 1.00 0.00 C ATOM 0 H THR A 96 -12.803 8.496 10.017 1.00 0.00 H new ATOM 0 HA THR A 96 -13.316 10.826 11.665 1.00 0.00 H new ATOM 0 HB THR A 96 -11.045 10.217 10.725 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.599 12.436 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.587 10.796 8.373 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.765 9.468 8.506 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.319 11.115 8.118 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.592 10.412 8.679 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.562 10.934 7.724 1.00 0.00 C ATOM 1454 C TYR A 97 -16.967 10.433 8.045 1.00 0.00 C ATOM 1455 O TYR A 97 -17.901 11.221 8.189 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.177 10.527 6.300 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.039 11.340 5.725 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.247 12.635 5.264 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.756 10.814 5.643 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.210 13.380 4.738 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.713 11.553 5.119 1.00 0.00 C ATOM 1462 CZ TYR A 97 -11.945 12.835 4.667 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.909 13.575 4.145 1.00 0.00 O ATOM 0 H TYR A 97 -14.255 9.473 8.467 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.558 12.021 7.798 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.898 9.473 6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.049 10.629 5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.236 13.066 5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.571 9.810 5.995 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.389 14.385 4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.721 11.129 5.064 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.147 13.550 4.760 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.108 9.116 8.156 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.400 8.531 8.460 1.00 0.00 C ATOM 1475 C GLY A 98 -18.857 7.549 7.399 1.00 0.00 C ATOM 1476 O GLY A 98 -19.742 6.729 7.642 1.00 0.00 O ATOM 0 H GLY A 98 -16.350 8.444 8.041 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.347 8.022 9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.140 9.325 8.559 1.00 0.00 H new ATOM 1480 N SER A 99 -18.253 7.634 6.218 1.00 0.00 N ATOM 1481 CA SER A 99 -18.606 6.749 5.113 1.00 0.00 C ATOM 1482 C SER A 99 -17.357 6.140 4.485 1.00 0.00 C ATOM 1483 O SER A 99 -16.254 6.262 5.020 1.00 0.00 O ATOM 1484 CB SER A 99 -19.403 7.513 4.055 1.00 0.00 C ATOM 1485 OG SER A 99 -18.590 8.472 3.399 1.00 0.00 O ATOM 0 H SER A 99 -17.517 8.306 6.001 1.00 0.00 H new ATOM 0 HA SER A 99 -19.222 5.942 5.509 1.00 0.00 H new ATOM 0 HB2 SER A 99 -19.807 6.813 3.324 1.00 0.00 H new ATOM 0 HB3 SER A 99 -20.252 8.011 4.524 1.00 0.00 H new ATOM 0 HG SER A 99 -19.122 8.946 2.726 1.00 0.00 H new ATOM 1491 N THR A 100 -17.537 5.482 3.343 1.00 0.00 N ATOM 1492 CA THR A 100 -16.427 4.852 2.641 1.00 0.00 C ATOM 1493 C THR A 100 -16.552 5.042 1.133 1.00 0.00 C ATOM 1494 O THR A 100 -17.626 5.368 0.626 1.00 0.00 O ATOM 1495 CB THR A 100 -16.348 3.345 2.953 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.615 2.727 2.707 1.00 0.00 O ATOM 1497 CG2 THR A 100 -15.936 3.113 4.398 1.00 0.00 C ATOM 0 H THR A 100 -18.442 5.372 2.885 1.00 0.00 H new ATOM 0 HA THR A 100 -15.515 5.336 2.991 1.00 0.00 H new ATOM 0 HB THR A 100 -15.596 2.900 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.556 1.769 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 100 -15.887 2.042 4.595 1.00 0.00 H new ATOM 0 HG22 THR A 100 -14.957 3.559 4.573 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.668 3.571 5.063 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.449 4.834 0.422 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.436 4.982 -1.029 1.00 0.00 C ATOM 1507 C LEU A 101 -16.019 3.746 -1.707 1.00 0.00 C ATOM 1508 O LEU A 101 -16.039 2.658 -1.131 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.008 5.222 -1.523 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.262 6.389 -0.875 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.758 6.170 -0.954 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -13.647 7.702 -1.539 1.00 0.00 C ATOM 0 H LEU A 101 -14.553 4.563 0.826 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.054 5.842 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.431 4.312 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.041 5.390 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.547 6.439 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.243 7.010 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.496 5.249 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.456 6.093 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.107 8.522 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.391 7.663 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.719 7.864 -1.431 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.492 3.920 -2.936 1.00 0.00 N ATOM 1525 CA LYS A 102 -17.072 2.820 -3.696 1.00 0.00 C ATOM 1526 C LYS A 102 -16.005 2.101 -4.515 1.00 0.00 C ATOM 1527 O LYS A 102 -15.189 2.736 -5.184 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.177 3.338 -4.621 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.947 2.235 -5.327 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.551 1.255 -4.335 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.362 0.178 -5.039 1.00 0.00 C ATOM 1532 NZ LYS A 102 -21.299 -0.509 -4.107 1.00 0.00 N ATOM 0 H LYS A 102 -16.485 4.814 -3.427 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.501 2.110 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.874 3.940 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.734 3.996 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.739 2.674 -5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.281 1.703 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.756 0.790 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.189 1.792 -3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.926 0.625 -5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.687 -0.555 -5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.833 -1.236 -4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.759 -0.957 -3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.960 0.186 -3.705 1.00 0.00 H new