USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 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 108 GLN : amide:sc= -1.37! K(o=-1.4!,f=-3.3) USER MOD Set 1.2: A 111 GLN : amide:sc= -0.0407 K(o=-1.4,f=-2.8) USER MOD Set 2.1: A 58 HIS : no HD1:sc= -1.3 K(o=-2.5,f=-0.57) USER MOD Set 2.2: A 62 GLN : amide:sc= -1.17 K(o=-2.5,f=-0.57) USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 106 ASN : amide:sc= -0.361 K(o=-0.36,f=-3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0759 X(o=-0.076,f=-0.3) USER MOD Single : A 18 THR OG1 : rot 133:sc= 0.998 USER MOD Single : A 19 CYS SG : rot 88:sc= -1.09 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.32 K(o=-2.3,f=-4.8!) USER MOD Single : A 24 GLN : amide:sc=-0.00508 X(o=-0.0051,f=-0.15) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 96:sc= -0.198 USER MOD Single : A 32 GLN : amide:sc= -0.595 X(o=-0.6,f=-0.65) USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= -0.247 (180deg=-1.98!) USER MOD Single : A 35 ASN : amide:sc= -0.0418 K(o=-0.042,f=-0.87) USER MOD Single : A 37 MET CE :methyl -105:sc= -4.1! (180deg=-5.84!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.6!) USER MOD Single : A 54 GLN : amide:sc= -0.29 K(o=-0.29,f=-2!) USER MOD Single : A 55 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.3) USER MOD Single : A 57 GLN : amide:sc= -2.36! K(o=-2.4!,f=-0.89) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -50:sc= -4.52! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -50:sc= -1.5 USER MOD Single : A 68 ASN : amide:sc= -0.0098 K(o=-0.0098,f=-0.75) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.73 K(o=-0.73,f=-2.8) USER MOD Single : A 88 GLN : amide:sc= -0.0508 K(o=-0.051,f=-0.75) USER MOD Single : A 89 GLN : amide:sc= -3.21! C(o=-3.2!,f=-3.9!) USER MOD Single : A 92 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 93 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0476) USER MOD Single : A 97 MET CE :methyl -158:sc= -0.491 (180deg=-1.85!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.709 USER MOD Single : A 105 ASN : amide:sc= -0.0715 K(o=-0.072,f=-0.8) USER MOD Single : A 115 SER OG : rot 73:sc= 1.19 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N ASP A 11 8.849 -17.117 -3.331 1.00 0.00 N ATOM 127 CA ASP A 11 8.151 -18.159 -2.597 1.00 0.00 C ATOM 128 C ASP A 11 6.994 -17.537 -1.813 1.00 0.00 C ATOM 129 O ASP A 11 7.029 -16.353 -1.482 1.00 0.00 O ATOM 130 CB ASP A 11 9.083 -18.847 -1.597 1.00 0.00 C ATOM 131 CG ASP A 11 10.316 -19.510 -2.214 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.239 -18.755 -2.590 1.00 0.00 O ATOM 133 OD2 ASP A 11 10.309 -20.757 -2.296 1.00 0.00 O ATOM 0 HA ASP A 11 7.788 -18.893 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.413 -18.110 -0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.515 -19.603 -1.055 1.00 0.00 H new ATOM 138 N PHE A 12 5.995 -18.363 -1.538 1.00 0.00 N ATOM 139 CA PHE A 12 4.830 -17.909 -0.800 1.00 0.00 C ATOM 140 C PHE A 12 5.236 -16.993 0.356 1.00 0.00 C ATOM 141 O PHE A 12 4.737 -15.874 0.471 1.00 0.00 O ATOM 142 CB PHE A 12 4.147 -19.155 -0.231 1.00 0.00 C ATOM 143 CG PHE A 12 2.714 -18.915 0.248 1.00 0.00 C ATOM 144 CD1 PHE A 12 1.678 -19.011 -0.629 1.00 0.00 C ATOM 145 CD2 PHE A 12 2.475 -18.605 1.550 1.00 0.00 C ATOM 146 CE1 PHE A 12 0.348 -18.788 -0.184 1.00 0.00 C ATOM 147 CE2 PHE A 12 1.145 -18.383 1.995 1.00 0.00 C ATOM 148 CZ PHE A 12 0.110 -18.479 1.118 1.00 0.00 C ATOM 0 H PHE A 12 5.969 -19.345 -1.814 1.00 0.00 H new ATOM 0 HA PHE A 12 4.168 -17.347 -1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.138 -19.933 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.739 -19.533 0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.867 -19.257 -1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.297 -18.528 2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.474 -18.864 -0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.955 -18.138 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.902 -18.310 1.456 1.00 0.00 H new ATOM 158 N SER A 13 6.137 -17.501 1.184 1.00 0.00 N ATOM 159 CA SER A 13 6.616 -16.742 2.326 1.00 0.00 C ATOM 160 C SER A 13 7.303 -15.459 1.853 1.00 0.00 C ATOM 161 O SER A 13 7.213 -14.424 2.510 1.00 0.00 O ATOM 162 CB SER A 13 7.577 -17.575 3.177 1.00 0.00 C ATOM 163 OG SER A 13 6.933 -18.133 4.319 1.00 0.00 O ATOM 0 H SER A 13 6.548 -18.429 1.086 1.00 0.00 H new ATOM 0 HA SER A 13 5.758 -16.480 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.997 -18.377 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.410 -16.950 3.500 1.00 0.00 H new ATOM 0 HG SER A 13 7.579 -18.659 4.835 1.00 0.00 H new ATOM 169 N SER A 14 7.973 -15.570 0.715 1.00 0.00 N ATOM 170 CA SER A 14 8.674 -14.432 0.146 1.00 0.00 C ATOM 171 C SER A 14 7.667 -13.406 -0.379 1.00 0.00 C ATOM 172 O SER A 14 7.882 -12.201 -0.255 1.00 0.00 O ATOM 173 CB SER A 14 9.617 -14.871 -0.976 1.00 0.00 C ATOM 174 OG SER A 14 10.577 -15.823 -0.525 1.00 0.00 O ATOM 0 H SER A 14 8.045 -16.430 0.172 1.00 0.00 H new ATOM 0 HA SER A 14 9.275 -13.973 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.035 -15.301 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.133 -13.999 -1.378 1.00 0.00 H new ATOM 0 HG SER A 14 11.159 -16.079 -1.271 1.00 0.00 H new ATOM 180 N ILE A 15 6.590 -13.921 -0.952 1.00 0.00 N ATOM 181 CA ILE A 15 5.549 -13.065 -1.496 1.00 0.00 C ATOM 182 C ILE A 15 4.688 -12.527 -0.351 1.00 0.00 C ATOM 183 O ILE A 15 4.302 -11.359 -0.356 1.00 0.00 O ATOM 184 CB ILE A 15 4.751 -13.807 -2.570 1.00 0.00 C ATOM 185 CG1 ILE A 15 5.683 -14.442 -3.605 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.716 -12.886 -3.219 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.919 -15.413 -4.507 1.00 0.00 C ATOM 0 H ILE A 15 6.415 -14.921 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 15 5.988 -12.203 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 15 4.203 -14.618 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.144 -13.662 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.490 -14.970 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.163 -13.438 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.024 -12.523 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.222 -12.039 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.604 -15.850 -5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.480 -16.205 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.128 -14.877 -5.031 1.00 0.00 H new ATOM 199 N ILE A 16 4.412 -13.405 0.602 1.00 0.00 N ATOM 200 CA ILE A 16 3.604 -13.033 1.750 1.00 0.00 C ATOM 201 C ILE A 16 4.340 -11.966 2.563 1.00 0.00 C ATOM 202 O ILE A 16 3.914 -10.813 2.612 1.00 0.00 O ATOM 203 CB ILE A 16 3.225 -14.273 2.563 1.00 0.00 C ATOM 204 CG1 ILE A 16 2.176 -15.110 1.828 1.00 0.00 C ATOM 205 CG2 ILE A 16 2.766 -13.886 3.971 1.00 0.00 C ATOM 206 CD1 ILE A 16 1.095 -15.604 2.792 1.00 0.00 C ATOM 0 H ILE A 16 4.734 -14.373 0.602 1.00 0.00 H new ATOM 0 HA ILE A 16 2.661 -12.593 1.425 1.00 0.00 H new ATOM 0 HB ILE A 16 4.114 -14.895 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.719 -14.515 1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.657 -15.962 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.503 -14.785 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.572 -13.364 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.896 -13.233 3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.362 -16.196 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.552 -16.219 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.600 -14.749 3.252 1.00 0.00 H new ATOM 218 N GLN A 17 5.433 -12.389 3.181 1.00 0.00 N ATOM 219 CA GLN A 17 6.233 -11.485 3.989 1.00 0.00 C ATOM 220 C GLN A 17 6.298 -10.103 3.334 1.00 0.00 C ATOM 221 O GLN A 17 5.985 -9.097 3.968 1.00 0.00 O ATOM 222 CB GLN A 17 7.637 -12.049 4.218 1.00 0.00 C ATOM 223 CG GLN A 17 7.606 -13.206 5.218 1.00 0.00 C ATOM 224 CD GLN A 17 8.656 -13.011 6.314 1.00 0.00 C ATOM 225 OE1 GLN A 17 8.819 -11.937 6.869 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.356 -14.107 6.594 1.00 0.00 N ATOM 0 H GLN A 17 5.783 -13.346 3.138 1.00 0.00 H new ATOM 0 HA GLN A 17 5.755 -11.382 4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.054 -12.393 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.293 -11.261 4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.615 -13.277 5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.788 -14.146 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.168 -14.974 6.091 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.080 -14.080 7.312 1.00 0.00 H new ATOM 235 N THR A 18 6.706 -10.100 2.074 1.00 0.00 N ATOM 236 CA THR A 18 6.815 -8.859 1.326 1.00 0.00 C ATOM 237 C THR A 18 5.480 -8.112 1.333 1.00 0.00 C ATOM 238 O THR A 18 5.445 -6.898 1.525 1.00 0.00 O ATOM 239 CB THR A 18 7.314 -9.197 -0.080 1.00 0.00 C ATOM 240 OG1 THR A 18 8.523 -9.917 0.144 1.00 0.00 O ATOM 241 CG2 THR A 18 7.759 -7.956 -0.858 1.00 0.00 C ATOM 0 H THR A 18 6.965 -10.937 1.552 1.00 0.00 H new ATOM 0 HA THR A 18 7.533 -8.181 1.788 1.00 0.00 H new ATOM 0 HB THR A 18 6.525 -9.708 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.533 -10.722 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.104 -8.252 -1.849 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.919 -7.268 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.571 -7.463 -0.323 1.00 0.00 H new ATOM 249 N CYS A 19 4.413 -8.870 1.123 1.00 0.00 N ATOM 250 CA CYS A 19 3.079 -8.295 1.103 1.00 0.00 C ATOM 251 C CYS A 19 2.827 -7.620 2.452 1.00 0.00 C ATOM 252 O CYS A 19 2.615 -6.410 2.515 1.00 0.00 O ATOM 253 CB CYS A 19 2.015 -9.347 0.783 1.00 0.00 C ATOM 254 SG CYS A 19 1.955 -9.649 -1.021 1.00 0.00 S ATOM 0 H CYS A 19 4.446 -9.877 0.965 1.00 0.00 H new ATOM 0 HA CYS A 19 3.012 -7.552 0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.240 -10.275 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.041 -9.010 1.136 1.00 0.00 H new ATOM 0 HG CYS A 19 2.815 -10.572 -1.335 1.00 0.00 H new ATOM 260 N SER A 20 2.857 -8.432 3.499 1.00 0.00 N ATOM 261 CA SER A 20 2.634 -7.928 4.843 1.00 0.00 C ATOM 262 C SER A 20 3.349 -6.588 5.025 1.00 0.00 C ATOM 263 O SER A 20 2.711 -5.572 5.297 1.00 0.00 O ATOM 264 CB SER A 20 3.113 -8.932 5.894 1.00 0.00 C ATOM 265 OG SER A 20 2.518 -8.696 7.168 1.00 0.00 O ATOM 0 H SER A 20 3.032 -9.435 3.443 1.00 0.00 H new ATOM 0 HA SER A 20 1.563 -7.782 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.875 -9.943 5.564 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.198 -8.873 5.984 1.00 0.00 H new ATOM 0 HG SER A 20 2.848 -9.358 7.811 1.00 0.00 H new ATOM 271 N GLY A 21 4.664 -6.629 4.868 1.00 0.00 N ATOM 272 CA GLY A 21 5.473 -5.430 5.011 1.00 0.00 C ATOM 273 C GLY A 21 4.892 -4.276 4.192 1.00 0.00 C ATOM 274 O GLY A 21 4.457 -3.270 4.751 1.00 0.00 O ATOM 0 H GLY A 21 5.190 -7.474 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.525 -5.145 6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.493 -5.634 4.686 1.00 0.00 H new ATOM 278 N ASN A 22 4.905 -4.459 2.879 1.00 0.00 N ATOM 279 CA ASN A 22 4.385 -3.445 1.977 1.00 0.00 C ATOM 280 C ASN A 22 3.111 -2.843 2.573 1.00 0.00 C ATOM 281 O ASN A 22 3.039 -1.638 2.805 1.00 0.00 O ATOM 282 CB ASN A 22 4.032 -4.048 0.616 1.00 0.00 C ATOM 283 CG ASN A 22 5.295 -4.393 -0.175 1.00 0.00 C ATOM 284 OD1 ASN A 22 6.404 -4.047 0.195 1.00 0.00 O ATOM 285 ND2 ASN A 22 5.065 -5.094 -1.282 1.00 0.00 N ATOM 0 H ASN A 22 5.267 -5.294 2.419 1.00 0.00 H new ATOM 0 HA ASN A 22 5.154 -2.684 1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.430 -4.946 0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.424 -3.343 0.049 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.843 -5.374 -1.879 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.111 -5.351 -1.534 1.00 0.00 H new ATOM 292 N ILE A 23 2.137 -3.711 2.804 1.00 0.00 N ATOM 293 CA ILE A 23 0.869 -3.280 3.369 1.00 0.00 C ATOM 294 C ILE A 23 1.128 -2.228 4.449 1.00 0.00 C ATOM 295 O ILE A 23 0.729 -1.074 4.304 1.00 0.00 O ATOM 296 CB ILE A 23 0.066 -4.485 3.864 1.00 0.00 C ATOM 297 CG1 ILE A 23 -0.357 -5.379 2.696 1.00 0.00 C ATOM 298 CG2 ILE A 23 -1.131 -4.038 4.705 1.00 0.00 C ATOM 299 CD1 ILE A 23 -1.102 -6.618 3.196 1.00 0.00 C ATOM 0 H ILE A 23 2.200 -4.710 2.610 1.00 0.00 H new ATOM 0 HA ILE A 23 0.252 -2.807 2.605 1.00 0.00 H new ATOM 0 HB ILE A 23 0.709 -5.082 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.996 -4.816 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.523 -5.683 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.685 -4.914 5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.779 -3.474 5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.784 -3.407 4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.391 -7.236 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.452 -7.191 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.994 -6.311 3.742 1.00 0.00 H new ATOM 311 N GLN A 24 1.795 -2.665 5.508 1.00 0.00 N ATOM 312 CA GLN A 24 2.111 -1.775 6.612 1.00 0.00 C ATOM 313 C GLN A 24 2.480 -0.387 6.085 1.00 0.00 C ATOM 314 O GLN A 24 1.802 0.595 6.384 1.00 0.00 O ATOM 315 CB GLN A 24 3.236 -2.351 7.475 1.00 0.00 C ATOM 316 CG GLN A 24 2.677 -3.277 8.556 1.00 0.00 C ATOM 317 CD GLN A 24 3.356 -3.020 9.903 1.00 0.00 C ATOM 318 OE1 GLN A 24 3.436 -1.901 10.383 1.00 0.00 O ATOM 319 NE2 GLN A 24 3.839 -4.115 10.483 1.00 0.00 N ATOM 0 H GLN A 24 2.125 -3.623 5.624 1.00 0.00 H new ATOM 0 HA GLN A 24 1.227 -1.680 7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.936 -2.901 6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.795 -1.539 7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.602 -3.123 8.651 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.826 -4.316 8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.738 -5.021 10.026 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.311 -4.049 11.385 1.00 0.00 H new ATOM 328 N ARG A 25 3.555 -0.349 5.310 1.00 0.00 N ATOM 329 CA ARG A 25 4.022 0.903 4.740 1.00 0.00 C ATOM 330 C ARG A 25 2.856 1.665 4.106 1.00 0.00 C ATOM 331 O ARG A 25 2.606 2.820 4.448 1.00 0.00 O ATOM 332 CB ARG A 25 5.098 0.658 3.680 1.00 0.00 C ATOM 333 CG ARG A 25 6.499 0.767 4.286 1.00 0.00 C ATOM 334 CD ARG A 25 7.194 -0.596 4.308 1.00 0.00 C ATOM 335 NE ARG A 25 8.232 -0.618 5.363 1.00 0.00 N ATOM 336 CZ ARG A 25 9.387 0.057 5.295 1.00 0.00 C ATOM 337 NH1 ARG A 25 9.660 0.812 4.222 1.00 0.00 N ATOM 338 NH2 ARG A 25 10.270 -0.022 6.300 1.00 0.00 N ATOM 0 H ARG A 25 4.115 -1.165 5.064 1.00 0.00 H new ATOM 0 HA ARG A 25 4.452 1.495 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.963 -0.331 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.990 1.382 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.095 1.474 3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.431 1.161 5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.463 -1.383 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.646 -0.799 3.337 1.00 0.00 H new ATOM 0 HE ARG A 25 8.057 -1.183 6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.988 0.873 3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.540 1.326 4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.063 -0.596 7.117 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.149 0.492 6.248 1.00 0.00 H new ATOM 352 N ILE A 26 2.175 0.988 3.193 1.00 0.00 N ATOM 353 CA ILE A 26 1.042 1.587 2.508 1.00 0.00 C ATOM 354 C ILE A 26 0.178 2.340 3.522 1.00 0.00 C ATOM 355 O ILE A 26 -0.152 3.507 3.317 1.00 0.00 O ATOM 356 CB ILE A 26 0.276 0.528 1.713 1.00 0.00 C ATOM 357 CG1 ILE A 26 1.174 -0.123 0.659 1.00 0.00 C ATOM 358 CG2 ILE A 26 -0.996 1.117 1.099 1.00 0.00 C ATOM 359 CD1 ILE A 26 0.384 -1.115 -0.197 1.00 0.00 C ATOM 0 H ILE A 26 2.386 0.031 2.912 1.00 0.00 H new ATOM 0 HA ILE A 26 1.383 2.318 1.775 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.033 -0.258 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.610 0.647 0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.001 -0.637 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.522 0.343 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.642 1.494 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.731 1.934 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.046 -1.564 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.030 -1.897 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.427 -0.593 -0.704 1.00 0.00 H new ATOM 371 N SER A 27 -0.163 1.641 4.595 1.00 0.00 N ATOM 372 CA SER A 27 -0.982 2.228 5.641 1.00 0.00 C ATOM 373 C SER A 27 -0.200 3.328 6.363 1.00 0.00 C ATOM 374 O SER A 27 -0.774 4.338 6.768 1.00 0.00 O ATOM 375 CB SER A 27 -1.447 1.165 6.639 1.00 0.00 C ATOM 376 OG SER A 27 -2.770 1.414 7.107 1.00 0.00 O ATOM 0 H SER A 27 0.113 0.673 4.762 1.00 0.00 H new ATOM 0 HA SER A 27 -1.867 2.664 5.178 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.408 0.183 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.762 1.139 7.486 1.00 0.00 H new ATOM 0 HG SER A 27 -3.030 0.713 7.740 1.00 0.00 H new ATOM 382 N GLN A 28 1.097 3.095 6.500 1.00 0.00 N ATOM 383 CA GLN A 28 1.963 4.053 7.165 1.00 0.00 C ATOM 384 C GLN A 28 1.937 5.393 6.428 1.00 0.00 C ATOM 385 O GLN A 28 1.464 6.393 6.966 1.00 0.00 O ATOM 386 CB GLN A 28 3.391 3.516 7.277 1.00 0.00 C ATOM 387 CG GLN A 28 3.453 2.313 8.220 1.00 0.00 C ATOM 388 CD GLN A 28 4.724 2.347 9.070 1.00 0.00 C ATOM 389 OE1 GLN A 28 5.797 1.950 8.645 1.00 0.00 O ATOM 390 NE2 GLN A 28 4.546 2.842 10.291 1.00 0.00 N ATOM 0 H GLN A 28 1.569 2.256 6.162 1.00 0.00 H new ATOM 0 HA GLN A 28 1.589 4.210 8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.753 3.228 6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.051 4.303 7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.577 2.310 8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.424 1.390 7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.621 3.157 10.584 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.334 2.907 10.935 1.00 0.00 H new ATOM 399 N ALA A 29 2.451 5.370 5.207 1.00 0.00 N ATOM 400 CA ALA A 29 2.493 6.571 4.390 1.00 0.00 C ATOM 401 C ALA A 29 1.125 7.255 4.425 1.00 0.00 C ATOM 402 O ALA A 29 1.040 8.478 4.522 1.00 0.00 O ATOM 403 CB ALA A 29 2.926 6.207 2.969 1.00 0.00 C ATOM 0 H ALA A 29 2.842 4.539 4.764 1.00 0.00 H new ATOM 0 HA ALA A 29 3.225 7.277 4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.957 7.108 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.916 5.752 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.214 5.502 2.541 1.00 0.00 H new ATOM 409 N THR A 30 0.087 6.435 4.345 1.00 0.00 N ATOM 410 CA THR A 30 -1.273 6.945 4.367 1.00 0.00 C ATOM 411 C THR A 30 -1.538 7.702 5.670 1.00 0.00 C ATOM 412 O THR A 30 -2.351 8.625 5.702 1.00 0.00 O ATOM 413 CB THR A 30 -2.224 5.767 4.144 1.00 0.00 C ATOM 414 OG1 THR A 30 -2.185 5.551 2.736 1.00 0.00 O ATOM 415 CG2 THR A 30 -3.683 6.131 4.425 1.00 0.00 C ATOM 0 H THR A 30 0.161 5.421 4.265 1.00 0.00 H new ATOM 0 HA THR A 30 -1.437 7.669 3.569 1.00 0.00 H new ATOM 0 HB THR A 30 -1.928 4.936 4.784 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.533 4.849 2.531 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.315 5.260 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.785 6.453 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.990 6.940 3.762 1.00 0.00 H new ATOM 423 N ALA A 31 -0.838 7.282 6.713 1.00 0.00 N ATOM 424 CA ALA A 31 -0.987 7.909 8.016 1.00 0.00 C ATOM 425 C ALA A 31 -0.203 9.222 8.038 1.00 0.00 C ATOM 426 O ALA A 31 -0.654 10.209 8.616 1.00 0.00 O ATOM 427 CB ALA A 31 -0.529 6.937 9.105 1.00 0.00 C ATOM 0 H ALA A 31 -0.166 6.515 6.683 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.033 8.147 8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.641 7.407 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.137 6.033 9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.517 6.678 8.944 1.00 0.00 H new ATOM 433 N GLN A 32 0.959 9.191 7.402 1.00 0.00 N ATOM 434 CA GLN A 32 1.811 10.367 7.342 1.00 0.00 C ATOM 435 C GLN A 32 1.092 11.506 6.615 1.00 0.00 C ATOM 436 O GLN A 32 1.230 12.670 6.988 1.00 0.00 O ATOM 437 CB GLN A 32 3.146 10.043 6.669 1.00 0.00 C ATOM 438 CG GLN A 32 4.174 9.562 7.694 1.00 0.00 C ATOM 439 CD GLN A 32 4.821 8.249 7.248 1.00 0.00 C ATOM 440 OE1 GLN A 32 4.181 7.214 7.149 1.00 0.00 O ATOM 441 NE2 GLN A 32 6.121 8.348 6.984 1.00 0.00 N ATOM 0 H GLN A 32 1.331 8.370 6.924 1.00 0.00 H new ATOM 0 HA GLN A 32 2.025 10.690 8.361 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.998 9.275 5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.524 10.928 6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.943 10.323 7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.691 9.423 8.661 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.596 9.245 7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.643 7.527 6.678 1.00 0.00 H new ATOM 450 N ILE A 33 0.342 11.131 5.590 1.00 0.00 N ATOM 451 CA ILE A 33 -0.398 12.106 4.807 1.00 0.00 C ATOM 452 C ILE A 33 -1.512 12.705 5.668 1.00 0.00 C ATOM 453 O ILE A 33 -1.714 13.919 5.673 1.00 0.00 O ATOM 454 CB ILE A 33 -0.898 11.480 3.504 1.00 0.00 C ATOM 455 CG1 ILE A 33 0.238 11.350 2.487 1.00 0.00 C ATOM 456 CG2 ILE A 33 -2.086 12.262 2.939 1.00 0.00 C ATOM 457 CD1 ILE A 33 0.343 9.916 1.963 1.00 0.00 C ATOM 0 H ILE A 33 0.231 10.165 5.283 1.00 0.00 H new ATOM 0 HA ILE A 33 0.253 12.928 4.509 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.251 10.472 3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.066 12.033 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.181 11.642 2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.421 11.795 2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.901 12.259 3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.783 13.290 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.158 9.851 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.539 9.238 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.593 9.636 1.479 1.00 0.00 H new ATOM 469 N LYS A 34 -2.207 11.826 6.376 1.00 0.00 N ATOM 470 CA LYS A 34 -3.295 12.253 7.239 1.00 0.00 C ATOM 471 C LYS A 34 -2.723 13.027 8.429 1.00 0.00 C ATOM 472 O LYS A 34 -3.391 13.895 8.988 1.00 0.00 O ATOM 473 CB LYS A 34 -4.160 11.057 7.642 1.00 0.00 C ATOM 474 CG LYS A 34 -4.921 10.501 6.436 1.00 0.00 C ATOM 475 CD LYS A 34 -5.235 9.015 6.624 1.00 0.00 C ATOM 476 CE LYS A 34 -6.737 8.752 6.499 1.00 0.00 C ATOM 477 NZ LYS A 34 -6.983 7.381 6.000 1.00 0.00 N ATOM 0 H LYS A 34 -2.037 10.820 6.369 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.960 12.933 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.531 10.277 8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.867 11.358 8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.848 11.058 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.328 10.640 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.696 8.429 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.885 8.687 7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.217 8.884 7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.184 9.478 5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.621 7.419 5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.081 6.947 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.420 6.811 6.752 1.00 0.00 H new ATOM 491 N ASN A 35 -1.493 12.683 8.782 1.00 0.00 N ATOM 492 CA ASN A 35 -0.824 13.334 9.895 1.00 0.00 C ATOM 493 C ASN A 35 -0.236 14.665 9.423 1.00 0.00 C ATOM 494 O ASN A 35 -0.304 15.665 10.136 1.00 0.00 O ATOM 495 CB ASN A 35 0.323 12.473 10.428 1.00 0.00 C ATOM 496 CG ASN A 35 0.810 12.987 11.784 1.00 0.00 C ATOM 497 OD1 ASN A 35 0.397 14.028 12.267 1.00 0.00 O ATOM 498 ND2 ASN A 35 1.710 12.202 12.369 1.00 0.00 N ATOM 0 H ASN A 35 -0.942 11.962 8.316 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.558 13.487 10.686 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.008 11.439 10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.148 12.478 9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.097 12.459 13.277 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.013 11.343 11.910 1.00 0.00 H new ATOM 505 N LEU A 36 0.329 14.634 8.225 1.00 0.00 N ATOM 506 CA LEU A 36 0.929 15.826 7.650 1.00 0.00 C ATOM 507 C LEU A 36 -0.175 16.737 7.109 1.00 0.00 C ATOM 508 O LEU A 36 0.072 17.901 6.797 1.00 0.00 O ATOM 509 CB LEU A 36 1.979 15.446 6.605 1.00 0.00 C ATOM 510 CG LEU A 36 3.206 14.697 7.129 1.00 0.00 C ATOM 511 CD1 LEU A 36 3.949 13.997 5.989 1.00 0.00 C ATOM 512 CD2 LEU A 36 4.123 15.632 7.921 1.00 0.00 C ATOM 0 H LEU A 36 0.384 13.802 7.637 1.00 0.00 H new ATOM 0 HA LEU A 36 1.463 16.390 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.499 14.830 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.317 16.357 6.111 1.00 0.00 H new ATOM 0 HG LEU A 36 2.865 13.922 7.816 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.817 13.472 6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.283 13.282 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.277 14.738 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.987 15.074 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.459 16.444 7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.577 16.044 8.770 1.00 0.00 H new ATOM 524 N MET A 37 -1.370 16.173 7.013 1.00 0.00 N ATOM 525 CA MET A 37 -2.513 16.919 6.515 1.00 0.00 C ATOM 526 C MET A 37 -2.841 18.097 7.435 1.00 0.00 C ATOM 527 O MET A 37 -2.651 19.254 7.061 1.00 0.00 O ATOM 528 CB MET A 37 -3.727 15.992 6.420 1.00 0.00 C ATOM 529 CG MET A 37 -4.411 16.123 5.058 1.00 0.00 C ATOM 530 SD MET A 37 -5.659 14.860 4.878 1.00 0.00 S ATOM 531 CE MET A 37 -4.699 13.587 4.076 1.00 0.00 C ATOM 0 H MET A 37 -1.572 15.207 7.272 1.00 0.00 H new ATOM 0 HA MET A 37 -2.266 17.310 5.528 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.414 14.960 6.576 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.436 16.233 7.212 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.864 17.110 4.963 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.673 16.033 4.261 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.965 13.541 3.020 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.638 13.816 4.173 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.907 12.625 4.545 1.00 0.00 H new ATOM 541 N SER A 38 -3.328 17.763 8.621 1.00 0.00 N ATOM 542 CA SER A 38 -3.685 18.779 9.597 1.00 0.00 C ATOM 543 C SER A 38 -2.528 19.765 9.772 1.00 0.00 C ATOM 544 O SER A 38 -2.750 20.962 9.950 1.00 0.00 O ATOM 545 CB SER A 38 -4.051 18.147 10.941 1.00 0.00 C ATOM 546 OG SER A 38 -5.397 18.431 11.315 1.00 0.00 O ATOM 0 H SER A 38 -3.484 16.803 8.928 1.00 0.00 H new ATOM 0 HA SER A 38 -4.559 19.315 9.228 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.910 17.068 10.884 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.375 18.517 11.712 1.00 0.00 H new ATOM 0 HG SER A 38 -5.593 18.009 12.177 1.00 0.00 H new ATOM 755 N ASN A 52 6.579 16.490 1.225 1.00 0.00 N ATOM 756 CA ASN A 52 6.574 15.243 1.970 1.00 0.00 C ATOM 757 C ASN A 52 5.344 14.423 1.576 1.00 0.00 C ATOM 758 O ASN A 52 5.443 13.219 1.346 1.00 0.00 O ATOM 759 CB ASN A 52 6.507 15.501 3.477 1.00 0.00 C ATOM 760 CG ASN A 52 7.428 14.546 4.238 1.00 0.00 C ATOM 761 OD1 ASN A 52 7.900 13.549 3.716 1.00 0.00 O ATOM 762 ND2 ASN A 52 7.657 14.905 5.498 1.00 0.00 N ATOM 0 HA ASN A 52 7.494 14.708 1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.793 16.532 3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.482 15.378 3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.260 14.333 6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.230 15.752 5.872 1.00 0.00 H new ATOM 769 N LEU A 53 4.212 15.108 1.509 1.00 0.00 N ATOM 770 CA LEU A 53 2.964 14.459 1.146 1.00 0.00 C ATOM 771 C LEU A 53 3.189 13.586 -0.089 1.00 0.00 C ATOM 772 O LEU A 53 2.989 12.373 -0.042 1.00 0.00 O ATOM 773 CB LEU A 53 1.851 15.495 0.973 1.00 0.00 C ATOM 774 CG LEU A 53 1.610 16.425 2.163 1.00 0.00 C ATOM 775 CD1 LEU A 53 0.549 17.477 1.831 1.00 0.00 C ATOM 776 CD2 LEU A 53 1.252 15.627 3.419 1.00 0.00 C ATOM 0 H LEU A 53 4.133 16.107 1.700 1.00 0.00 H new ATOM 0 HA LEU A 53 2.631 13.799 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.083 16.106 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.922 14.968 0.755 1.00 0.00 H new ATOM 0 HG LEU A 53 2.537 16.958 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.397 18.125 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.882 18.075 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.389 16.981 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.086 16.312 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.345 15.050 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.070 14.950 3.665 1.00 0.00 H new ATOM 788 N GLN A 54 3.602 14.236 -1.167 1.00 0.00 N ATOM 789 CA GLN A 54 3.856 13.534 -2.414 1.00 0.00 C ATOM 790 C GLN A 54 4.852 12.394 -2.187 1.00 0.00 C ATOM 791 O GLN A 54 4.496 11.222 -2.303 1.00 0.00 O ATOM 792 CB GLN A 54 4.360 14.495 -3.492 1.00 0.00 C ATOM 793 CG GLN A 54 3.273 14.767 -4.535 1.00 0.00 C ATOM 794 CD GLN A 54 3.799 14.520 -5.951 1.00 0.00 C ATOM 795 OE1 GLN A 54 4.992 14.439 -6.192 1.00 0.00 O ATOM 796 NE2 GLN A 54 2.844 14.405 -6.869 1.00 0.00 N ATOM 0 H GLN A 54 3.767 15.242 -1.203 1.00 0.00 H new ATOM 0 HA GLN A 54 2.917 13.107 -2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.671 15.433 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.239 14.073 -3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.413 14.125 -4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.928 15.797 -4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.864 14.483 -6.598 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.092 14.238 -7.844 1.00 0.00 H new ATOM 805 N GLN A 55 6.079 12.778 -1.868 1.00 0.00 N ATOM 806 CA GLN A 55 7.129 11.803 -1.625 1.00 0.00 C ATOM 807 C GLN A 55 6.570 10.602 -0.858 1.00 0.00 C ATOM 808 O GLN A 55 7.025 9.475 -1.046 1.00 0.00 O ATOM 809 CB GLN A 55 8.301 12.436 -0.873 1.00 0.00 C ATOM 810 CG GLN A 55 9.605 12.277 -1.658 1.00 0.00 C ATOM 811 CD GLN A 55 10.478 11.175 -1.053 1.00 0.00 C ATOM 812 OE1 GLN A 55 10.015 10.303 -0.336 1.00 0.00 O ATOM 813 NE2 GLN A 55 11.764 11.264 -1.380 1.00 0.00 N ATOM 0 H GLN A 55 6.370 13.751 -1.772 1.00 0.00 H new ATOM 0 HA GLN A 55 7.504 11.453 -2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.101 13.494 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.403 11.970 0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.381 12.039 -2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.151 13.220 -1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.085 12.020 -1.985 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.429 10.577 -1.026 1.00 0.00 H new ATOM 822 N LEU A 56 5.591 10.885 -0.011 1.00 0.00 N ATOM 823 CA LEU A 56 4.966 9.843 0.785 1.00 0.00 C ATOM 824 C LEU A 56 3.998 9.048 -0.094 1.00 0.00 C ATOM 825 O LEU A 56 4.045 7.819 -0.121 1.00 0.00 O ATOM 826 CB LEU A 56 4.314 10.440 2.034 1.00 0.00 C ATOM 827 CG LEU A 56 5.253 10.734 3.205 1.00 0.00 C ATOM 828 CD1 LEU A 56 4.735 11.906 4.042 1.00 0.00 C ATOM 829 CD2 LEU A 56 5.482 9.481 4.053 1.00 0.00 C ATOM 0 H LEU A 56 5.215 11.821 0.141 1.00 0.00 H new ATOM 0 HA LEU A 56 5.716 9.141 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.816 11.368 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.540 9.755 2.378 1.00 0.00 H new ATOM 0 HG LEU A 56 6.221 11.030 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.421 12.094 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.666 12.797 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.749 11.663 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.153 9.718 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.529 9.131 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.927 8.700 3.436 1.00 0.00 H new ATOM 841 N GLN A 57 3.143 9.782 -0.790 1.00 0.00 N ATOM 842 CA GLN A 57 2.165 9.161 -1.668 1.00 0.00 C ATOM 843 C GLN A 57 2.858 8.209 -2.645 1.00 0.00 C ATOM 844 O GLN A 57 2.521 7.027 -2.709 1.00 0.00 O ATOM 845 CB GLN A 57 1.351 10.218 -2.417 1.00 0.00 C ATOM 846 CG GLN A 57 0.426 10.975 -1.462 1.00 0.00 C ATOM 847 CD GLN A 57 -0.369 12.050 -2.206 1.00 0.00 C ATOM 848 OE1 GLN A 57 -1.141 11.773 -3.110 1.00 0.00 O ATOM 849 NE2 GLN A 57 -0.139 13.288 -1.778 1.00 0.00 N ATOM 0 H GLN A 57 3.107 10.801 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 57 1.472 8.583 -1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.025 10.920 -2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.761 9.741 -3.199 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.260 10.276 -0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.015 11.436 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.520 13.450 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.622 14.075 -2.211 1.00 0.00 H new ATOM 858 N HIS A 58 3.813 8.758 -3.381 1.00 0.00 N ATOM 859 CA HIS A 58 4.556 7.973 -4.351 1.00 0.00 C ATOM 860 C HIS A 58 5.038 6.675 -3.700 1.00 0.00 C ATOM 861 O HIS A 58 4.776 5.586 -4.208 1.00 0.00 O ATOM 862 CB HIS A 58 5.697 8.793 -4.955 1.00 0.00 C ATOM 863 CG HIS A 58 6.651 7.987 -5.804 1.00 0.00 C ATOM 864 ND1 HIS A 58 6.333 7.549 -7.078 1.00 0.00 N ATOM 865 CD2 HIS A 58 7.915 7.545 -5.549 1.00 0.00 C ATOM 866 CE1 HIS A 58 7.368 6.875 -7.558 1.00 0.00 C ATOM 867 NE2 HIS A 58 8.347 6.872 -6.609 1.00 0.00 N ATOM 0 H HIS A 58 4.089 9.738 -3.325 1.00 0.00 H new ATOM 0 HA HIS A 58 3.903 7.702 -5.181 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.274 9.593 -5.562 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.256 9.267 -4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.471 7.714 -4.639 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.426 6.409 -8.531 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.260 6.426 -6.699 1.00 0.00 H new ATOM 875 N SER A 59 5.735 6.834 -2.584 1.00 0.00 N ATOM 876 CA SER A 59 6.257 5.689 -1.858 1.00 0.00 C ATOM 877 C SER A 59 5.220 4.565 -1.839 1.00 0.00 C ATOM 878 O SER A 59 5.507 3.444 -2.255 1.00 0.00 O ATOM 879 CB SER A 59 6.648 6.075 -0.429 1.00 0.00 C ATOM 880 OG SER A 59 7.830 5.404 0.000 1.00 0.00 O ATOM 0 H SER A 59 5.950 7.739 -2.165 1.00 0.00 H new ATOM 0 HA SER A 59 7.154 5.339 -2.369 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.802 7.153 -0.374 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.829 5.835 0.249 1.00 0.00 H new ATOM 0 HG SER A 59 8.048 5.678 0.915 1.00 0.00 H new ATOM 886 N THR A 60 4.035 4.903 -1.351 1.00 0.00 N ATOM 887 CA THR A 60 2.954 3.936 -1.272 1.00 0.00 C ATOM 888 C THR A 60 2.495 3.534 -2.675 1.00 0.00 C ATOM 889 O THR A 60 2.311 2.351 -2.957 1.00 0.00 O ATOM 890 CB THR A 60 1.838 4.543 -0.418 1.00 0.00 C ATOM 891 OG1 THR A 60 2.427 4.686 0.871 1.00 0.00 O ATOM 892 CG2 THR A 60 0.679 3.570 -0.193 1.00 0.00 C ATOM 0 H THR A 60 3.800 5.834 -1.006 1.00 0.00 H new ATOM 0 HA THR A 60 3.283 3.013 -0.795 1.00 0.00 H new ATOM 0 HB THR A 60 1.464 5.448 -0.898 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.848 3.841 1.134 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.085 4.050 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.250 3.287 -1.154 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.046 2.679 0.317 1.00 0.00 H new ATOM 900 N ASN A 61 2.323 4.542 -3.518 1.00 0.00 N ATOM 901 CA ASN A 61 1.889 4.308 -4.885 1.00 0.00 C ATOM 902 C ASN A 61 2.665 3.125 -5.467 1.00 0.00 C ATOM 903 O ASN A 61 2.070 2.185 -5.992 1.00 0.00 O ATOM 904 CB ASN A 61 2.160 5.530 -5.765 1.00 0.00 C ATOM 905 CG ASN A 61 1.148 5.616 -6.910 1.00 0.00 C ATOM 906 OD1 ASN A 61 1.424 5.265 -8.045 1.00 0.00 O ATOM 907 ND2 ASN A 61 -0.037 6.101 -6.549 1.00 0.00 N ATOM 0 H ASN A 61 2.476 5.522 -3.281 1.00 0.00 H new ATOM 0 HA ASN A 61 0.818 4.105 -4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.109 6.436 -5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.170 5.474 -6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.781 6.197 -7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.202 6.376 -5.581 1.00 0.00 H new ATOM 914 N GLN A 62 3.983 3.210 -5.354 1.00 0.00 N ATOM 915 CA GLN A 62 4.847 2.158 -5.863 1.00 0.00 C ATOM 916 C GLN A 62 4.545 0.835 -5.155 1.00 0.00 C ATOM 917 O GLN A 62 4.146 -0.137 -5.793 1.00 0.00 O ATOM 918 CB GLN A 62 6.321 2.538 -5.711 1.00 0.00 C ATOM 919 CG GLN A 62 6.599 3.913 -6.321 1.00 0.00 C ATOM 920 CD GLN A 62 7.179 3.780 -7.730 1.00 0.00 C ATOM 921 OE1 GLN A 62 8.309 3.364 -7.927 1.00 0.00 O ATOM 922 NE2 GLN A 62 6.346 4.157 -8.696 1.00 0.00 N ATOM 0 H GLN A 62 4.473 3.991 -4.918 1.00 0.00 H new ATOM 0 HA GLN A 62 4.647 2.032 -6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.592 2.543 -4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.945 1.788 -6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.676 4.492 -6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.296 4.462 -5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.413 4.496 -8.461 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.640 4.107 -9.671 1.00 0.00 H new ATOM 931 N LEU A 63 4.749 0.842 -3.846 1.00 0.00 N ATOM 932 CA LEU A 63 4.504 -0.345 -3.045 1.00 0.00 C ATOM 933 C LEU A 63 3.241 -1.046 -3.551 1.00 0.00 C ATOM 934 O LEU A 63 3.289 -2.209 -3.948 1.00 0.00 O ATOM 935 CB LEU A 63 4.454 0.012 -1.558 1.00 0.00 C ATOM 936 CG LEU A 63 5.801 0.053 -0.833 1.00 0.00 C ATOM 937 CD1 LEU A 63 5.723 0.928 0.420 1.00 0.00 C ATOM 938 CD2 LEU A 63 6.296 -1.359 -0.515 1.00 0.00 C ATOM 0 H LEU A 63 5.081 1.651 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 63 5.327 -1.052 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.978 0.987 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.813 -0.711 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 63 6.533 0.509 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.693 0.940 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.447 1.944 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.973 0.524 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.255 -1.301 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.571 -1.863 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.415 -1.920 -1.442 1.00 0.00 H new ATOM 950 N ALA A 64 2.141 -0.308 -3.521 1.00 0.00 N ATOM 951 CA ALA A 64 0.868 -0.843 -3.972 1.00 0.00 C ATOM 952 C ALA A 64 1.078 -1.618 -5.274 1.00 0.00 C ATOM 953 O ALA A 64 0.693 -2.782 -5.377 1.00 0.00 O ATOM 954 CB ALA A 64 -0.139 0.298 -4.129 1.00 0.00 C ATOM 0 H ALA A 64 2.105 0.657 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 64 0.462 -1.537 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.094 -0.104 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.275 0.798 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.234 1.014 -4.862 1.00 0.00 H new ATOM 960 N LYS A 65 1.689 -0.942 -6.236 1.00 0.00 N ATOM 961 CA LYS A 65 1.955 -1.553 -7.527 1.00 0.00 C ATOM 962 C LYS A 65 2.547 -2.948 -7.314 1.00 0.00 C ATOM 963 O LYS A 65 2.092 -3.918 -7.919 1.00 0.00 O ATOM 964 CB LYS A 65 2.833 -0.637 -8.382 1.00 0.00 C ATOM 965 CG LYS A 65 2.278 0.788 -8.406 1.00 0.00 C ATOM 966 CD LYS A 65 1.949 1.225 -9.835 1.00 0.00 C ATOM 967 CE LYS A 65 0.447 1.127 -10.107 1.00 0.00 C ATOM 968 NZ LYS A 65 0.189 0.282 -11.295 1.00 0.00 N ATOM 0 H LYS A 65 2.007 0.023 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 65 1.028 -1.681 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.849 -0.629 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.889 -1.026 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.381 0.843 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.006 1.473 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.284 2.250 -9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.492 0.600 -10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.059 0.707 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.034 2.123 -10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.835 0.226 -11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.656 0.699 -12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.565 -0.673 -11.130 1.00 0.00 H new ATOM 982 N GLU A 66 3.552 -3.005 -6.453 1.00 0.00 N ATOM 983 CA GLU A 66 4.210 -4.265 -6.153 1.00 0.00 C ATOM 984 C GLU A 66 3.263 -5.189 -5.384 1.00 0.00 C ATOM 985 O GLU A 66 3.139 -6.368 -5.711 1.00 0.00 O ATOM 986 CB GLU A 66 5.505 -4.035 -5.372 1.00 0.00 C ATOM 987 CG GLU A 66 6.728 -4.198 -6.277 1.00 0.00 C ATOM 988 CD GLU A 66 7.773 -5.108 -5.629 1.00 0.00 C ATOM 989 OE1 GLU A 66 8.061 -4.881 -4.434 1.00 0.00 O ATOM 990 OE2 GLU A 66 8.260 -6.012 -6.343 1.00 0.00 O ATOM 0 H GLU A 66 3.927 -2.199 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 66 4.473 -4.748 -7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.500 -3.035 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.565 -4.741 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.422 -4.616 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.167 -3.221 -6.480 1.00 0.00 H new ATOM 997 N THR A 67 2.620 -4.618 -4.376 1.00 0.00 N ATOM 998 CA THR A 67 1.688 -5.375 -3.558 1.00 0.00 C ATOM 999 C THR A 67 0.741 -6.188 -4.442 1.00 0.00 C ATOM 1000 O THR A 67 0.670 -7.410 -4.323 1.00 0.00 O ATOM 1001 CB THR A 67 0.964 -4.393 -2.634 1.00 0.00 C ATOM 1002 OG1 THR A 67 1.947 -3.405 -2.339 1.00 0.00 O ATOM 1003 CG2 THR A 67 0.632 -5.007 -1.272 1.00 0.00 C ATOM 0 H THR A 67 2.726 -3.640 -4.107 1.00 0.00 H new ATOM 0 HA THR A 67 2.209 -6.104 -2.937 1.00 0.00 H new ATOM 0 HB THR A 67 0.045 -4.054 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.773 -3.843 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.119 -4.269 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.013 -5.874 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.553 -5.316 -0.778 1.00 0.00 H new ATOM 1011 N ASN A 68 0.036 -5.477 -5.310 1.00 0.00 N ATOM 1012 CA ASN A 68 -0.904 -6.117 -6.214 1.00 0.00 C ATOM 1013 C ASN A 68 -0.190 -7.236 -6.977 1.00 0.00 C ATOM 1014 O ASN A 68 -0.690 -8.357 -7.053 1.00 0.00 O ATOM 1015 CB ASN A 68 -1.449 -5.120 -7.239 1.00 0.00 C ATOM 1016 CG ASN A 68 -2.774 -5.609 -7.828 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -3.117 -6.778 -7.766 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -3.496 -4.651 -8.402 1.00 0.00 N ATOM 0 H ASN A 68 0.097 -4.463 -5.406 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.729 -6.510 -5.620 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.594 -4.149 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.721 -4.980 -8.038 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.396 -4.875 -8.825 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.149 -3.692 -8.419 1.00 0.00 H new ATOM 1025 N GLU A 69 0.968 -6.892 -7.521 1.00 0.00 N ATOM 1026 CA GLU A 69 1.755 -7.853 -8.275 1.00 0.00 C ATOM 1027 C GLU A 69 2.069 -9.076 -7.411 1.00 0.00 C ATOM 1028 O GLU A 69 1.943 -10.211 -7.867 1.00 0.00 O ATOM 1029 CB GLU A 69 3.039 -7.213 -8.806 1.00 0.00 C ATOM 1030 CG GLU A 69 2.867 -6.761 -10.258 1.00 0.00 C ATOM 1031 CD GLU A 69 4.019 -7.263 -11.129 1.00 0.00 C ATOM 1032 OE1 GLU A 69 5.037 -6.541 -11.196 1.00 0.00 O ATOM 1033 OE2 GLU A 69 3.857 -8.358 -11.709 1.00 0.00 O ATOM 0 H GLU A 69 1.380 -5.961 -7.455 1.00 0.00 H new ATOM 0 HA GLU A 69 1.169 -8.180 -9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.307 -6.358 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.860 -7.927 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.921 -7.135 -10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.822 -5.673 -10.301 1.00 0.00 H new ATOM 1040 N LEU A 70 2.471 -8.803 -6.178 1.00 0.00 N ATOM 1041 CA LEU A 70 2.803 -9.867 -5.246 1.00 0.00 C ATOM 1042 C LEU A 70 1.565 -10.732 -5.004 1.00 0.00 C ATOM 1043 O LEU A 70 1.641 -11.959 -5.057 1.00 0.00 O ATOM 1044 CB LEU A 70 3.409 -9.288 -3.966 1.00 0.00 C ATOM 1045 CG LEU A 70 4.865 -8.827 -4.061 1.00 0.00 C ATOM 1046 CD1 LEU A 70 5.313 -8.153 -2.763 1.00 0.00 C ATOM 1047 CD2 LEU A 70 5.783 -9.987 -4.452 1.00 0.00 C ATOM 0 H LEU A 70 2.574 -7.860 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 70 3.569 -10.518 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.800 -8.440 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.338 -10.041 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 70 4.936 -8.080 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.351 -7.835 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.684 -7.284 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.223 -8.859 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.812 -9.632 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.714 -10.774 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.478 -10.382 -5.421 1.00 0.00 H new ATOM 1059 N LEU A 71 0.454 -10.059 -4.744 1.00 0.00 N ATOM 1060 CA LEU A 71 -0.799 -10.752 -4.493 1.00 0.00 C ATOM 1061 C LEU A 71 -1.105 -11.683 -5.668 1.00 0.00 C ATOM 1062 O LEU A 71 -1.711 -12.738 -5.486 1.00 0.00 O ATOM 1063 CB LEU A 71 -1.915 -9.749 -4.196 1.00 0.00 C ATOM 1064 CG LEU A 71 -1.857 -9.066 -2.827 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -2.799 -7.862 -2.775 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -2.141 -10.065 -1.704 1.00 0.00 C ATOM 0 H LEU A 71 0.395 -9.042 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.718 -11.377 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.897 -8.978 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.872 -10.264 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.845 -8.690 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.739 -7.395 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.509 -7.140 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.822 -8.192 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.094 -9.554 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.135 -10.492 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.397 -10.861 -1.729 1.00 0.00 H new ATOM 1078 N LYS A 72 -0.673 -11.259 -6.846 1.00 0.00 N ATOM 1079 CA LYS A 72 -0.894 -12.042 -8.050 1.00 0.00 C ATOM 1080 C LYS A 72 -0.075 -13.332 -7.972 1.00 0.00 C ATOM 1081 O LYS A 72 -0.588 -14.415 -8.249 1.00 0.00 O ATOM 1082 CB LYS A 72 -0.602 -11.203 -9.296 1.00 0.00 C ATOM 1083 CG LYS A 72 -1.881 -10.561 -9.837 1.00 0.00 C ATOM 1084 CD LYS A 72 -1.560 -9.519 -10.911 1.00 0.00 C ATOM 1085 CE LYS A 72 -1.423 -10.174 -12.286 1.00 0.00 C ATOM 1086 NZ LYS A 72 -1.779 -9.214 -13.355 1.00 0.00 N ATOM 0 H LYS A 72 -0.171 -10.383 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.942 -12.333 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.124 -10.427 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.153 -11.832 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.530 -11.331 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.429 -10.090 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.348 -8.766 -10.940 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.635 -9.002 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.400 -10.524 -12.429 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.070 -11.049 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.681 -9.675 -14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.762 -8.901 -13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.145 -8.391 -13.308 1.00 0.00 H new ATOM 1100 N GLU A 73 1.185 -13.173 -7.593 1.00 0.00 N ATOM 1101 CA GLU A 73 2.079 -14.312 -7.474 1.00 0.00 C ATOM 1102 C GLU A 73 1.514 -15.330 -6.482 1.00 0.00 C ATOM 1103 O GLU A 73 1.515 -16.531 -6.750 1.00 0.00 O ATOM 1104 CB GLU A 73 3.483 -13.866 -7.062 1.00 0.00 C ATOM 1105 CG GLU A 73 3.897 -12.596 -7.810 1.00 0.00 C ATOM 1106 CD GLU A 73 5.417 -12.427 -7.804 1.00 0.00 C ATOM 1107 OE1 GLU A 73 6.020 -12.748 -6.757 1.00 0.00 O ATOM 1108 OE2 GLU A 73 5.943 -11.979 -8.846 1.00 0.00 O ATOM 0 H GLU A 73 1.607 -12.273 -7.365 1.00 0.00 H new ATOM 0 HA GLU A 73 2.157 -14.791 -8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.510 -13.685 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.197 -14.663 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.537 -12.641 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.429 -11.728 -7.346 1.00 0.00 H new ATOM 1115 N LEU A 74 1.045 -14.813 -5.356 1.00 0.00 N ATOM 1116 CA LEU A 74 0.478 -15.662 -4.322 1.00 0.00 C ATOM 1117 C LEU A 74 -0.516 -16.637 -4.956 1.00 0.00 C ATOM 1118 O LEU A 74 -0.292 -17.846 -4.956 1.00 0.00 O ATOM 1119 CB LEU A 74 -0.123 -14.813 -3.201 1.00 0.00 C ATOM 1120 CG LEU A 74 0.582 -14.894 -1.845 1.00 0.00 C ATOM 1121 CD1 LEU A 74 0.182 -13.721 -0.948 1.00 0.00 C ATOM 1122 CD2 LEU A 74 0.322 -16.244 -1.173 1.00 0.00 C ATOM 0 H LEU A 74 1.046 -13.817 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 74 1.258 -16.262 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.128 -13.772 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.163 -15.110 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 74 1.656 -14.819 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.697 -13.803 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.459 -12.783 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.895 -13.740 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.834 -16.276 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.749 -16.373 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.696 -17.046 -1.810 1.00 0.00 H new ATOM 1134 N GLY A 75 -1.594 -16.073 -5.482 1.00 0.00 N ATOM 1135 CA GLY A 75 -2.624 -16.877 -6.119 1.00 0.00 C ATOM 1136 C GLY A 75 -2.048 -17.681 -7.286 1.00 0.00 C ATOM 1137 O GLY A 75 -2.641 -18.670 -7.716 1.00 0.00 O ATOM 0 H GLY A 75 -1.776 -15.069 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.065 -17.555 -5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.425 -16.231 -6.478 1.00 0.00 H new ATOM 1141 N SER A 76 -0.899 -17.227 -7.766 1.00 0.00 N ATOM 1142 CA SER A 76 -0.237 -17.892 -8.876 1.00 0.00 C ATOM 1143 C SER A 76 0.396 -19.201 -8.398 1.00 0.00 C ATOM 1144 O SER A 76 0.270 -20.232 -9.058 1.00 0.00 O ATOM 1145 CB SER A 76 0.824 -16.988 -9.505 1.00 0.00 C ATOM 1146 OG SER A 76 0.893 -17.150 -10.919 1.00 0.00 O ATOM 0 H SER A 76 -0.410 -16.407 -7.407 1.00 0.00 H new ATOM 0 HA SER A 76 -0.984 -18.114 -9.638 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.600 -15.948 -9.270 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.797 -17.211 -9.067 1.00 0.00 H new ATOM 0 HG SER A 76 1.581 -16.555 -11.283 1.00 0.00 H new ATOM 1152 N LEU A 77 1.062 -19.117 -7.257 1.00 0.00 N ATOM 1153 CA LEU A 77 1.715 -20.282 -6.684 1.00 0.00 C ATOM 1154 C LEU A 77 0.796 -21.497 -6.826 1.00 0.00 C ATOM 1155 O LEU A 77 -0.423 -21.353 -6.902 1.00 0.00 O ATOM 1156 CB LEU A 77 2.144 -20.001 -5.242 1.00 0.00 C ATOM 1157 CG LEU A 77 3.096 -18.820 -5.044 1.00 0.00 C ATOM 1158 CD1 LEU A 77 3.279 -18.506 -3.558 1.00 0.00 C ATOM 1159 CD2 LEU A 77 4.433 -19.069 -5.746 1.00 0.00 C ATOM 0 H LEU A 77 1.164 -18.260 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 77 2.633 -20.510 -7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.249 -19.825 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.621 -20.897 -4.844 1.00 0.00 H new ATOM 0 HG LEU A 77 2.649 -17.940 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.960 -17.663 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.314 -18.254 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.693 -19.377 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.091 -18.214 -5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.898 -19.965 -5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.263 -19.205 -6.814 1.00 0.00 H new ATOM 1171 N PRO A 78 1.433 -22.699 -6.859 1.00 0.00 N ATOM 1172 CA PRO A 78 0.687 -23.938 -6.990 1.00 0.00 C ATOM 1173 C PRO A 78 -0.007 -24.303 -5.676 1.00 0.00 C ATOM 1174 O PRO A 78 -0.122 -23.469 -4.779 1.00 0.00 O ATOM 1175 CB PRO A 78 1.713 -24.971 -7.427 1.00 0.00 C ATOM 1176 CG PRO A 78 3.070 -24.384 -7.075 1.00 0.00 C ATOM 1177 CD PRO A 78 2.875 -22.908 -6.771 1.00 0.00 C ATOM 0 HA PRO A 78 -0.122 -23.867 -7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.554 -25.920 -6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.638 -25.168 -8.496 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.496 -24.898 -6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.768 -24.514 -7.902 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.252 -22.655 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.410 -22.282 -7.485 1.00 0.00 H new ATOM 1185 N LEU A 79 -0.451 -25.549 -5.604 1.00 0.00 N ATOM 1186 CA LEU A 79 -1.131 -26.034 -4.415 1.00 0.00 C ATOM 1187 C LEU A 79 -0.453 -27.319 -3.935 1.00 0.00 C ATOM 1188 O LEU A 79 0.004 -28.124 -4.744 1.00 0.00 O ATOM 1189 CB LEU A 79 -2.629 -26.190 -4.680 1.00 0.00 C ATOM 1190 CG LEU A 79 -3.369 -24.924 -5.115 1.00 0.00 C ATOM 1191 CD1 LEU A 79 -4.187 -25.175 -6.383 1.00 0.00 C ATOM 1192 CD2 LEU A 79 -4.231 -24.374 -3.977 1.00 0.00 C ATOM 0 H LEU A 79 -0.353 -26.238 -6.350 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.049 -25.308 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.764 -26.949 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.101 -26.569 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.628 -24.162 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.703 -24.259 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.522 -25.485 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.919 -25.960 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.746 -23.474 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.965 -25.124 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.597 -24.132 -3.124 1.00 0.00 H new ATOM 1204 N PRO A 80 -0.410 -27.476 -2.584 1.00 0.00 N ATOM 1205 CA PRO A 80 0.204 -28.649 -1.987 1.00 0.00 C ATOM 1206 C PRO A 80 -0.700 -29.875 -2.134 1.00 0.00 C ATOM 1207 O PRO A 80 -1.912 -29.783 -1.951 1.00 0.00 O ATOM 1208 CB PRO A 80 0.454 -28.267 -0.537 1.00 0.00 C ATOM 1209 CG PRO A 80 -0.445 -27.073 -0.259 1.00 0.00 C ATOM 1210 CD PRO A 80 -0.941 -26.543 -1.595 1.00 0.00 C ATOM 0 HA PRO A 80 1.136 -28.932 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.220 -29.096 0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.502 -28.013 -0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.285 -27.366 0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.103 -26.299 0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.030 -26.509 -1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.584 -25.529 -1.776 1.00 0.00 H new ATOM 1218 N LEU A 81 -0.074 -30.996 -2.464 1.00 0.00 N ATOM 1219 CA LEU A 81 -0.806 -32.239 -2.638 1.00 0.00 C ATOM 1220 C LEU A 81 -1.783 -32.418 -1.475 1.00 0.00 C ATOM 1221 O LEU A 81 -2.799 -33.096 -1.612 1.00 0.00 O ATOM 1222 CB LEU A 81 0.162 -33.410 -2.814 1.00 0.00 C ATOM 1223 CG LEU A 81 0.503 -33.788 -4.257 1.00 0.00 C ATOM 1224 CD1 LEU A 81 1.736 -33.027 -4.747 1.00 0.00 C ATOM 1225 CD2 LEU A 81 0.668 -35.302 -4.403 1.00 0.00 C ATOM 0 H LEU A 81 0.932 -31.069 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.400 -32.207 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.089 -33.170 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.263 -34.284 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.331 -33.492 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.956 -33.314 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.543 -31.955 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.589 -33.268 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.910 -35.543 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.473 -35.645 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.261 -35.798 -4.122 1.00 0.00 H new ATOM 1237 N SER A 82 -1.440 -31.797 -0.356 1.00 0.00 N ATOM 1238 CA SER A 82 -2.275 -31.879 0.831 1.00 0.00 C ATOM 1239 C SER A 82 -3.218 -30.676 0.892 1.00 0.00 C ATOM 1240 O SER A 82 -2.913 -29.615 0.349 1.00 0.00 O ATOM 1241 CB SER A 82 -1.422 -31.950 2.100 1.00 0.00 C ATOM 1242 OG SER A 82 -1.536 -33.213 2.749 1.00 0.00 O ATOM 0 H SER A 82 -0.596 -31.235 -0.246 1.00 0.00 H new ATOM 0 HA SER A 82 -2.866 -32.793 0.771 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.378 -31.766 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.727 -31.161 2.787 1.00 0.00 H new ATOM 0 HG SER A 82 -0.976 -33.219 3.553 1.00 0.00 H new ATOM 1248 N THR A 83 -4.345 -30.881 1.558 1.00 0.00 N ATOM 1249 CA THR A 83 -5.335 -29.826 1.696 1.00 0.00 C ATOM 1250 C THR A 83 -5.028 -28.965 2.923 1.00 0.00 C ATOM 1251 O THR A 83 -5.129 -27.740 2.867 1.00 0.00 O ATOM 1252 CB THR A 83 -6.718 -30.479 1.743 1.00 0.00 C ATOM 1253 OG1 THR A 83 -6.702 -31.405 0.660 1.00 0.00 O ATOM 1254 CG2 THR A 83 -7.839 -29.502 1.382 1.00 0.00 C ATOM 0 H THR A 83 -4.595 -31.762 2.008 1.00 0.00 H new ATOM 0 HA THR A 83 -5.310 -29.145 0.845 1.00 0.00 H new ATOM 0 HB THR A 83 -6.895 -30.882 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.561 -31.874 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.799 -30.016 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.837 -28.670 2.086 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.681 -29.124 0.372 1.00 0.00 H new ATOM 1262 N SER A 84 -4.659 -29.639 4.002 1.00 0.00 N ATOM 1263 CA SER A 84 -4.337 -28.951 5.241 1.00 0.00 C ATOM 1264 C SER A 84 -3.469 -27.725 4.947 1.00 0.00 C ATOM 1265 O SER A 84 -3.521 -26.735 5.675 1.00 0.00 O ATOM 1266 CB SER A 84 -3.623 -29.884 6.220 1.00 0.00 C ATOM 1267 OG SER A 84 -4.223 -29.862 7.512 1.00 0.00 O ATOM 0 H SER A 84 -4.576 -30.655 4.044 1.00 0.00 H new ATOM 0 HA SER A 84 -5.269 -28.627 5.705 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.640 -30.901 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.576 -29.592 6.301 1.00 0.00 H new ATOM 0 HG SER A 84 -3.740 -30.472 8.108 1.00 0.00 H new ATOM 1273 N GLU A 85 -2.692 -27.832 3.880 1.00 0.00 N ATOM 1274 CA GLU A 85 -1.814 -26.744 3.481 1.00 0.00 C ATOM 1275 C GLU A 85 -2.544 -25.795 2.529 1.00 0.00 C ATOM 1276 O GLU A 85 -2.338 -24.583 2.575 1.00 0.00 O ATOM 1277 CB GLU A 85 -0.531 -27.281 2.844 1.00 0.00 C ATOM 1278 CG GLU A 85 0.443 -27.782 3.911 1.00 0.00 C ATOM 1279 CD GLU A 85 0.713 -26.700 4.959 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -0.051 -26.664 5.947 1.00 0.00 O ATOM 1281 OE2 GLU A 85 1.678 -25.934 4.747 1.00 0.00 O ATOM 0 H GLU A 85 -2.652 -28.655 3.279 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.531 -26.185 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.774 -28.093 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.058 -26.496 2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.033 -28.668 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.380 -28.080 3.441 1.00 0.00 H new ATOM 1288 N GLN A 86 -3.384 -26.381 1.688 1.00 0.00 N ATOM 1289 CA GLN A 86 -4.145 -25.603 0.726 1.00 0.00 C ATOM 1290 C GLN A 86 -4.920 -24.491 1.438 1.00 0.00 C ATOM 1291 O GLN A 86 -4.910 -23.343 0.997 1.00 0.00 O ATOM 1292 CB GLN A 86 -5.088 -26.498 -0.080 1.00 0.00 C ATOM 1293 CG GLN A 86 -4.311 -27.336 -1.098 1.00 0.00 C ATOM 1294 CD GLN A 86 -5.141 -28.531 -1.572 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -6.316 -28.420 -1.881 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -4.467 -29.676 -1.611 1.00 0.00 N ATOM 0 H GLN A 86 -3.554 -27.386 1.653 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.447 -25.143 0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.637 -27.155 0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.826 -25.884 -0.596 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.038 -26.716 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.382 -27.689 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.484 -29.699 -1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.932 -30.532 -1.913 1.00 0.00 H new ATOM 1305 N ARG A 87 -5.572 -24.872 2.526 1.00 0.00 N ATOM 1306 CA ARG A 87 -6.351 -23.921 3.303 1.00 0.00 C ATOM 1307 C ARG A 87 -5.433 -22.865 3.922 1.00 0.00 C ATOM 1308 O ARG A 87 -5.616 -21.670 3.695 1.00 0.00 O ATOM 1309 CB ARG A 87 -7.129 -24.626 4.415 1.00 0.00 C ATOM 1310 CG ARG A 87 -8.580 -24.143 4.459 1.00 0.00 C ATOM 1311 CD ARG A 87 -9.460 -24.961 3.512 1.00 0.00 C ATOM 1312 NE ARG A 87 -10.795 -24.334 3.391 1.00 0.00 N ATOM 1313 CZ ARG A 87 -11.800 -24.841 2.666 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -11.629 -25.986 1.991 1.00 0.00 N ATOM 1315 NH2 ARG A 87 -12.978 -24.202 2.614 1.00 0.00 N ATOM 0 H ARG A 87 -5.578 -25.825 2.889 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.059 -23.441 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.105 -25.704 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.650 -24.437 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.963 -24.223 5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.625 -23.089 4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.990 -25.026 2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.561 -25.980 3.885 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.960 -23.461 3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.733 -26.472 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.395 -26.372 1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.108 -23.330 3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.744 -24.588 2.062 1.00 0.00 H new ATOM 1329 N GLN A 88 -4.467 -23.344 4.692 1.00 0.00 N ATOM 1330 CA GLN A 88 -3.521 -22.455 5.345 1.00 0.00 C ATOM 1331 C GLN A 88 -2.928 -21.474 4.332 1.00 0.00 C ATOM 1332 O GLN A 88 -2.470 -20.395 4.704 1.00 0.00 O ATOM 1333 CB GLN A 88 -2.420 -23.250 6.049 1.00 0.00 C ATOM 1334 CG GLN A 88 -2.991 -24.074 7.205 1.00 0.00 C ATOM 1335 CD GLN A 88 -3.228 -23.199 8.437 1.00 0.00 C ATOM 1336 OE1 GLN A 88 -2.441 -22.330 8.775 1.00 0.00 O ATOM 1337 NE2 GLN A 88 -4.354 -23.477 9.089 1.00 0.00 N ATOM 0 H GLN A 88 -4.319 -24.336 4.878 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.053 -21.883 6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.930 -23.911 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.658 -22.568 6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.929 -24.537 6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.303 -24.882 7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.969 -24.218 8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.602 -22.949 9.926 1.00 0.00 H new ATOM 1346 N GLN A 89 -2.956 -21.884 3.073 1.00 0.00 N ATOM 1347 CA GLN A 89 -2.427 -21.054 2.004 1.00 0.00 C ATOM 1348 C GLN A 89 -3.445 -19.982 1.610 1.00 0.00 C ATOM 1349 O GLN A 89 -3.197 -18.791 1.786 1.00 0.00 O ATOM 1350 CB GLN A 89 -2.030 -21.904 0.795 1.00 0.00 C ATOM 1351 CG GLN A 89 -2.096 -21.086 -0.496 1.00 0.00 C ATOM 1352 CD GLN A 89 -1.022 -21.539 -1.487 1.00 0.00 C ATOM 1353 OE1 GLN A 89 -0.145 -20.786 -1.878 1.00 0.00 O ATOM 1354 NE2 GLN A 89 -1.141 -22.806 -1.872 1.00 0.00 N ATOM 0 H GLN A 89 -3.337 -22.780 2.769 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.528 -20.557 2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.020 -22.290 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -2.693 -22.766 0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.082 -21.193 -0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.963 -20.028 -0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.899 -23.381 -1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.474 -23.203 -2.534 1.00 0.00 H new ATOM 1363 N ARG A 90 -4.570 -20.445 1.085 1.00 0.00 N ATOM 1364 CA ARG A 90 -5.627 -19.541 0.664 1.00 0.00 C ATOM 1365 C ARG A 90 -6.095 -18.687 1.844 1.00 0.00 C ATOM 1366 O ARG A 90 -6.465 -17.527 1.668 1.00 0.00 O ATOM 1367 CB ARG A 90 -6.820 -20.313 0.097 1.00 0.00 C ATOM 1368 CG ARG A 90 -7.454 -21.204 1.167 1.00 0.00 C ATOM 1369 CD ARG A 90 -8.341 -22.277 0.532 1.00 0.00 C ATOM 1370 NE ARG A 90 -7.560 -23.064 -0.448 1.00 0.00 N ATOM 1371 CZ ARG A 90 -8.105 -23.857 -1.381 1.00 0.00 C ATOM 1372 NH1 ARG A 90 -9.437 -23.973 -1.466 1.00 0.00 N ATOM 1373 NH2 ARG A 90 -7.318 -24.534 -2.229 1.00 0.00 N ATOM 0 H ARG A 90 -4.773 -21.434 0.942 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.222 -18.898 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.563 -19.613 -0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.495 -20.924 -0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.672 -21.678 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.047 -20.594 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.740 -22.935 1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.194 -21.811 0.039 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.543 -22.999 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.036 -23.458 -0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.852 -24.576 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.304 -24.446 -2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.733 -25.137 -2.939 1.00 0.00 H new ATOM 1387 N LEU A 91 -6.064 -19.294 3.022 1.00 0.00 N ATOM 1388 CA LEU A 91 -6.481 -18.604 4.231 1.00 0.00 C ATOM 1389 C LEU A 91 -5.635 -17.342 4.410 1.00 0.00 C ATOM 1390 O LEU A 91 -6.172 -16.244 4.545 1.00 0.00 O ATOM 1391 CB LEU A 91 -6.435 -19.551 5.431 1.00 0.00 C ATOM 1392 CG LEU A 91 -7.559 -20.586 5.512 1.00 0.00 C ATOM 1393 CD1 LEU A 91 -7.315 -21.571 6.657 1.00 0.00 C ATOM 1394 CD2 LEU A 91 -8.925 -19.906 5.622 1.00 0.00 C ATOM 0 H LEU A 91 -5.757 -20.256 3.165 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.519 -18.283 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.482 -20.079 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.453 -18.953 6.342 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.560 -21.162 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.128 -22.296 6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.371 -22.092 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.271 -21.028 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.706 -20.665 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.953 -19.289 6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.091 -19.279 4.746 1.00 0.00 H new ATOM 1406 N GLN A 92 -4.325 -17.541 4.405 1.00 0.00 N ATOM 1407 CA GLN A 92 -3.399 -16.432 4.566 1.00 0.00 C ATOM 1408 C GLN A 92 -3.619 -15.394 3.464 1.00 0.00 C ATOM 1409 O GLN A 92 -3.613 -14.192 3.728 1.00 0.00 O ATOM 1410 CB GLN A 92 -1.951 -16.925 4.574 1.00 0.00 C ATOM 1411 CG GLN A 92 -1.634 -17.674 5.870 1.00 0.00 C ATOM 1412 CD GLN A 92 -1.602 -16.717 7.063 1.00 0.00 C ATOM 1413 OE1 GLN A 92 -2.496 -16.687 7.893 1.00 0.00 O ATOM 1414 NE2 GLN A 92 -0.525 -15.937 7.102 1.00 0.00 N ATOM 0 H GLN A 92 -3.883 -18.453 4.292 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.592 -15.958 5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.782 -17.581 3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.274 -16.078 4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.383 -18.447 6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.672 -18.177 5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.186 -16.013 6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.411 -15.263 7.859 1.00 0.00 H new ATOM 1423 N LYS A 93 -3.807 -15.894 2.252 1.00 0.00 N ATOM 1424 CA LYS A 93 -4.028 -15.025 1.109 1.00 0.00 C ATOM 1425 C LYS A 93 -5.332 -14.249 1.308 1.00 0.00 C ATOM 1426 O LYS A 93 -5.368 -13.032 1.134 1.00 0.00 O ATOM 1427 CB LYS A 93 -3.983 -15.828 -0.192 1.00 0.00 C ATOM 1428 CG LYS A 93 -3.353 -15.009 -1.321 1.00 0.00 C ATOM 1429 CD LYS A 93 -3.910 -15.431 -2.682 1.00 0.00 C ATOM 1430 CE LYS A 93 -5.277 -14.794 -2.936 1.00 0.00 C ATOM 1431 NZ LYS A 93 -6.335 -15.830 -2.961 1.00 0.00 N ATOM 0 H LYS A 93 -3.811 -16.891 2.036 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.228 -14.289 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.411 -16.743 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.993 -16.127 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.547 -13.949 -1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.271 -15.141 -1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.216 -15.138 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.998 -16.517 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.494 -14.063 -2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.264 -14.256 -3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.248 -15.400 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.396 -16.241 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.105 -16.578 -2.276 1.00 0.00 H new ATOM 1445 N GLU A 94 -6.372 -14.987 1.669 1.00 0.00 N ATOM 1446 CA GLU A 94 -7.675 -14.384 1.894 1.00 0.00 C ATOM 1447 C GLU A 94 -7.544 -13.162 2.805 1.00 0.00 C ATOM 1448 O GLU A 94 -8.259 -12.176 2.634 1.00 0.00 O ATOM 1449 CB GLU A 94 -8.657 -15.401 2.478 1.00 0.00 C ATOM 1450 CG GLU A 94 -9.186 -16.339 1.392 1.00 0.00 C ATOM 1451 CD GLU A 94 -10.349 -15.698 0.633 1.00 0.00 C ATOM 1452 OE1 GLU A 94 -11.455 -15.659 1.215 1.00 0.00 O ATOM 1453 OE2 GLU A 94 -10.107 -15.260 -0.513 1.00 0.00 O ATOM 0 H GLU A 94 -6.339 -15.996 1.811 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.072 -14.056 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.164 -15.982 3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.489 -14.879 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.384 -16.584 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.514 -17.275 1.843 1.00 0.00 H new ATOM 1460 N ARG A 95 -6.626 -13.267 3.755 1.00 0.00 N ATOM 1461 CA ARG A 95 -6.392 -12.182 4.693 1.00 0.00 C ATOM 1462 C ARG A 95 -5.507 -11.110 4.056 1.00 0.00 C ATOM 1463 O ARG A 95 -5.778 -9.917 4.187 1.00 0.00 O ATOM 1464 CB ARG A 95 -5.723 -12.694 5.970 1.00 0.00 C ATOM 1465 CG ARG A 95 -5.196 -11.533 6.817 1.00 0.00 C ATOM 1466 CD ARG A 95 -5.730 -11.612 8.248 1.00 0.00 C ATOM 1467 NE ARG A 95 -5.048 -12.700 8.984 1.00 0.00 N ATOM 1468 CZ ARG A 95 -5.424 -13.141 10.192 1.00 0.00 C ATOM 1469 NH1 ARG A 95 -6.479 -12.591 10.807 1.00 0.00 N ATOM 1470 NH2 ARG A 95 -4.745 -14.133 10.784 1.00 0.00 N ATOM 0 H ARG A 95 -6.036 -14.087 3.895 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.360 -11.752 4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.438 -13.277 6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -4.902 -13.362 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.106 -11.553 6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.492 -10.586 6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.570 -10.662 8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.805 -11.790 8.234 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.241 -13.142 8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.996 -11.836 10.356 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.765 -12.927 11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.942 -14.552 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.031 -14.469 11.704 1.00 0.00 H new ATOM 1484 N LEU A 96 -4.466 -11.573 3.379 1.00 0.00 N ATOM 1485 CA LEU A 96 -3.539 -10.668 2.721 1.00 0.00 C ATOM 1486 C LEU A 96 -4.324 -9.692 1.841 1.00 0.00 C ATOM 1487 O LEU A 96 -4.194 -8.477 1.988 1.00 0.00 O ATOM 1488 CB LEU A 96 -2.469 -11.455 1.962 1.00 0.00 C ATOM 1489 CG LEU A 96 -1.395 -12.127 2.820 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -0.404 -12.903 1.951 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -0.693 -11.105 3.717 1.00 0.00 C ATOM 0 H LEU A 96 -4.244 -12.563 3.272 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.001 -10.072 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.964 -12.223 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.977 -10.779 1.263 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.883 -12.850 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.348 -13.371 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.936 -13.673 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.083 -12.220 1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.066 -11.608 4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.220 -10.342 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.424 -10.636 4.376 1.00 0.00 H new ATOM 1503 N MET A 97 -5.120 -10.259 0.948 1.00 0.00 N ATOM 1504 CA MET A 97 -5.925 -9.454 0.045 1.00 0.00 C ATOM 1505 C MET A 97 -6.680 -8.364 0.808 1.00 0.00 C ATOM 1506 O MET A 97 -6.599 -7.187 0.459 1.00 0.00 O ATOM 1507 CB MET A 97 -6.926 -10.352 -0.686 1.00 0.00 C ATOM 1508 CG MET A 97 -6.225 -11.206 -1.744 1.00 0.00 C ATOM 1509 SD MET A 97 -5.468 -10.156 -2.973 1.00 0.00 S ATOM 1510 CE MET A 97 -6.814 -9.025 -3.285 1.00 0.00 C ATOM 0 H MET A 97 -5.225 -11.267 0.830 1.00 0.00 H new ATOM 0 HA MET A 97 -5.261 -8.975 -0.674 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.432 -10.998 0.031 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.693 -9.738 -1.158 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.468 -11.833 -1.274 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.944 -11.875 -2.218 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.682 -8.564 -4.264 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.758 -9.569 -3.265 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.824 -8.251 -2.517 1.00 0.00 H new ATOM 1520 N ASN A 98 -7.398 -8.794 1.835 1.00 0.00 N ATOM 1521 CA ASN A 98 -8.167 -7.869 2.651 1.00 0.00 C ATOM 1522 C ASN A 98 -7.213 -6.904 3.356 1.00 0.00 C ATOM 1523 O ASN A 98 -7.317 -5.689 3.189 1.00 0.00 O ATOM 1524 CB ASN A 98 -8.965 -8.613 3.723 1.00 0.00 C ATOM 1525 CG ASN A 98 -10.470 -8.426 3.515 1.00 0.00 C ATOM 1526 OD1 ASN A 98 -11.148 -7.752 4.273 1.00 0.00 O ATOM 1527 ND2 ASN A 98 -10.951 -9.058 2.449 1.00 0.00 N ATOM 0 H ASN A 98 -7.464 -9.771 2.121 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.855 -7.333 1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.719 -9.675 3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.683 -8.248 4.711 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.944 -8.995 2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.327 -9.606 1.856 1.00 0.00 H new ATOM 1534 N ASP A 99 -6.305 -7.479 4.130 1.00 0.00 N ATOM 1535 CA ASP A 99 -5.333 -6.685 4.862 1.00 0.00 C ATOM 1536 C ASP A 99 -4.852 -5.533 3.977 1.00 0.00 C ATOM 1537 O ASP A 99 -4.958 -4.368 4.357 1.00 0.00 O ATOM 1538 CB ASP A 99 -4.113 -7.524 5.248 1.00 0.00 C ATOM 1539 CG ASP A 99 -4.245 -8.287 6.568 1.00 0.00 C ATOM 1540 OD1 ASP A 99 -5.081 -7.856 7.391 1.00 0.00 O ATOM 1541 OD2 ASP A 99 -3.506 -9.282 6.724 1.00 0.00 O ATOM 0 H ASP A 99 -6.222 -8.486 4.266 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.815 -6.313 5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.916 -8.240 4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.245 -6.868 5.310 1.00 0.00 H new ATOM 1546 N PHE A 100 -4.335 -5.899 2.813 1.00 0.00 N ATOM 1547 CA PHE A 100 -3.838 -4.910 1.871 1.00 0.00 C ATOM 1548 C PHE A 100 -4.902 -3.851 1.576 1.00 0.00 C ATOM 1549 O PHE A 100 -4.685 -2.665 1.817 1.00 0.00 O ATOM 1550 CB PHE A 100 -3.502 -5.654 0.577 1.00 0.00 C ATOM 1551 CG PHE A 100 -3.483 -4.763 -0.666 1.00 0.00 C ATOM 1552 CD1 PHE A 100 -2.379 -4.023 -0.955 1.00 0.00 C ATOM 1553 CD2 PHE A 100 -4.569 -4.711 -1.482 1.00 0.00 C ATOM 1554 CE1 PHE A 100 -2.361 -3.196 -2.109 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -4.551 -3.884 -2.636 1.00 0.00 C ATOM 1556 CZ PHE A 100 -3.448 -3.144 -2.925 1.00 0.00 C ATOM 0 H PHE A 100 -4.250 -6.866 2.501 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.967 -4.404 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.527 -6.129 0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -4.230 -6.451 0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.516 -4.064 -0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.446 -5.299 -1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.484 -2.608 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.414 -3.843 -3.284 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.435 -2.515 -3.803 1.00 0.00 H new ATOM 1566 N SER A 101 -6.028 -4.318 1.057 1.00 0.00 N ATOM 1567 CA SER A 101 -7.126 -3.426 0.726 1.00 0.00 C ATOM 1568 C SER A 101 -7.281 -2.361 1.813 1.00 0.00 C ATOM 1569 O SER A 101 -6.998 -1.187 1.582 1.00 0.00 O ATOM 1570 CB SER A 101 -8.433 -4.203 0.553 1.00 0.00 C ATOM 1571 OG SER A 101 -9.484 -3.663 1.350 1.00 0.00 O ATOM 0 H SER A 101 -6.204 -5.303 0.858 1.00 0.00 H new ATOM 0 HA SER A 101 -6.897 -2.938 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.728 -4.187 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.273 -5.247 0.823 1.00 0.00 H new ATOM 0 HG SER A 101 -10.302 -4.185 1.211 1.00 0.00 H new ATOM 1577 N ALA A 102 -7.731 -2.810 2.976 1.00 0.00 N ATOM 1578 CA ALA A 102 -7.927 -1.910 4.100 1.00 0.00 C ATOM 1579 C ALA A 102 -6.828 -0.846 4.094 1.00 0.00 C ATOM 1580 O ALA A 102 -7.095 0.329 4.338 1.00 0.00 O ATOM 1581 CB ALA A 102 -7.953 -2.715 5.401 1.00 0.00 C ATOM 0 H ALA A 102 -7.965 -3.785 3.164 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.884 -1.395 4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.100 -2.040 6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.770 -3.436 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.007 -3.244 5.521 1.00 0.00 H new ATOM 1587 N ALA A 103 -5.614 -1.297 3.813 1.00 0.00 N ATOM 1588 CA ALA A 103 -4.473 -0.399 3.772 1.00 0.00 C ATOM 1589 C ALA A 103 -4.524 0.425 2.484 1.00 0.00 C ATOM 1590 O ALA A 103 -4.417 1.650 2.522 1.00 0.00 O ATOM 1591 CB ALA A 103 -3.181 -1.208 3.895 1.00 0.00 C ATOM 0 H ALA A 103 -5.396 -2.273 3.612 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.503 0.297 4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.325 -0.534 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.181 -1.752 4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.115 -1.916 3.069 1.00 0.00 H new ATOM 1597 N LEU A 104 -4.686 -0.280 1.374 1.00 0.00 N ATOM 1598 CA LEU A 104 -4.753 0.371 0.077 1.00 0.00 C ATOM 1599 C LEU A 104 -5.902 1.381 0.076 1.00 0.00 C ATOM 1600 O LEU A 104 -5.696 2.561 -0.200 1.00 0.00 O ATOM 1601 CB LEU A 104 -4.848 -0.670 -1.041 1.00 0.00 C ATOM 1602 CG LEU A 104 -5.418 -0.175 -2.372 1.00 0.00 C ATOM 1603 CD1 LEU A 104 -6.948 -0.180 -2.348 1.00 0.00 C ATOM 1604 CD2 LEU A 104 -4.855 1.201 -2.732 1.00 0.00 C ATOM 0 H LEU A 104 -4.773 -1.296 1.346 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.837 0.930 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.851 -1.071 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.465 -1.497 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.105 -0.865 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.328 0.176 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.306 -1.194 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.302 0.475 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.276 1.529 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.117 1.916 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.770 1.139 -2.818 1.00 0.00 H new ATOM 1616 N ASN A 105 -7.089 0.879 0.387 1.00 0.00 N ATOM 1617 CA ASN A 105 -8.271 1.723 0.426 1.00 0.00 C ATOM 1618 C ASN A 105 -7.953 3.004 1.200 1.00 0.00 C ATOM 1619 O ASN A 105 -8.324 4.097 0.776 1.00 0.00 O ATOM 1620 CB ASN A 105 -9.428 1.016 1.135 1.00 0.00 C ATOM 1621 CG ASN A 105 -10.759 1.314 0.441 1.00 0.00 C ATOM 1622 OD1 ASN A 105 -10.913 2.292 -0.271 1.00 0.00 O ATOM 1623 ND2 ASN A 105 -11.711 0.418 0.689 1.00 0.00 N ATOM 0 H ASN A 105 -7.257 -0.101 0.614 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.560 1.947 -0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.251 -0.060 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.475 1.340 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.636 0.528 0.273 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -11.516 -0.379 1.295 1.00 0.00 H new ATOM 1630 N ASN A 106 -7.271 2.825 2.321 1.00 0.00 N ATOM 1631 CA ASN A 106 -6.900 3.953 3.159 1.00 0.00 C ATOM 1632 C ASN A 106 -6.199 5.010 2.302 1.00 0.00 C ATOM 1633 O ASN A 106 -6.604 6.171 2.287 1.00 0.00 O ATOM 1634 CB ASN A 106 -5.933 3.524 4.264 1.00 0.00 C ATOM 1635 CG ASN A 106 -6.526 3.798 5.648 1.00 0.00 C ATOM 1636 OD1 ASN A 106 -7.572 4.409 5.793 1.00 0.00 O ATOM 1637 ND2 ASN A 106 -5.802 3.314 6.652 1.00 0.00 N ATOM 0 H ASN A 106 -6.965 1.916 2.669 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.809 4.352 3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.709 2.462 4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.990 4.060 4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.113 3.445 7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.935 2.812 6.460 1.00 0.00 H new ATOM 1644 N PHE A 107 -5.159 4.569 1.609 1.00 0.00 N ATOM 1645 CA PHE A 107 -4.398 5.462 0.752 1.00 0.00 C ATOM 1646 C PHE A 107 -5.297 6.107 -0.304 1.00 0.00 C ATOM 1647 O PHE A 107 -5.140 7.284 -0.624 1.00 0.00 O ATOM 1648 CB PHE A 107 -3.336 4.613 0.052 1.00 0.00 C ATOM 1649 CG PHE A 107 -2.283 5.429 -0.701 1.00 0.00 C ATOM 1650 CD1 PHE A 107 -1.818 6.592 -0.172 1.00 0.00 C ATOM 1651 CD2 PHE A 107 -1.812 4.990 -1.900 1.00 0.00 C ATOM 1652 CE1 PHE A 107 -0.841 7.349 -0.871 1.00 0.00 C ATOM 1653 CE2 PHE A 107 -0.835 5.748 -2.598 1.00 0.00 C ATOM 1654 CZ PHE A 107 -0.370 6.911 -2.069 1.00 0.00 C ATOM 0 H PHE A 107 -4.826 3.605 1.624 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.953 6.260 1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.836 3.991 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.828 3.939 -0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.192 6.940 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.181 4.066 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.472 8.273 -0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.461 5.400 -3.550 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.373 7.487 -2.600 1.00 0.00 H new ATOM 1664 N GLN A 108 -6.220 5.306 -0.818 1.00 0.00 N ATOM 1665 CA GLN A 108 -7.144 5.784 -1.832 1.00 0.00 C ATOM 1666 C GLN A 108 -7.987 6.936 -1.282 1.00 0.00 C ATOM 1667 O GLN A 108 -7.994 8.029 -1.846 1.00 0.00 O ATOM 1668 CB GLN A 108 -8.034 4.648 -2.341 1.00 0.00 C ATOM 1669 CG GLN A 108 -7.207 3.590 -3.075 1.00 0.00 C ATOM 1670 CD GLN A 108 -7.631 3.483 -4.541 1.00 0.00 C ATOM 1671 OE1 GLN A 108 -7.623 4.448 -5.288 1.00 0.00 O ATOM 1672 NE2 GLN A 108 -7.999 2.260 -4.910 1.00 0.00 N ATOM 0 H GLN A 108 -6.347 4.330 -0.551 1.00 0.00 H new ATOM 0 HA GLN A 108 -6.565 6.155 -2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.558 4.188 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.795 5.049 -3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.149 3.845 -3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.329 2.624 -2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.982 1.497 -4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -8.298 2.085 -5.869 1.00 0.00 H new ATOM 1681 N ALA A 109 -8.677 6.652 -0.187 1.00 0.00 N ATOM 1682 CA ALA A 109 -9.521 7.651 0.446 1.00 0.00 C ATOM 1683 C ALA A 109 -8.673 8.869 0.817 1.00 0.00 C ATOM 1684 O ALA A 109 -9.200 9.965 0.999 1.00 0.00 O ATOM 1685 CB ALA A 109 -10.219 7.035 1.660 1.00 0.00 C ATOM 0 H ALA A 109 -8.669 5.744 0.278 1.00 0.00 H new ATOM 0 HA ALA A 109 -10.298 7.987 -0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.852 7.785 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.832 6.193 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.471 6.688 2.373 1.00 0.00 H new ATOM 1691 N VAL A 110 -7.372 8.636 0.917 1.00 0.00 N ATOM 1692 CA VAL A 110 -6.446 9.700 1.263 1.00 0.00 C ATOM 1693 C VAL A 110 -5.987 10.406 -0.015 1.00 0.00 C ATOM 1694 O VAL A 110 -5.639 11.585 0.014 1.00 0.00 O ATOM 1695 CB VAL A 110 -5.284 9.136 2.084 1.00 0.00 C ATOM 1696 CG1 VAL A 110 -4.130 10.138 2.160 1.00 0.00 C ATOM 1697 CG2 VAL A 110 -5.749 8.728 3.483 1.00 0.00 C ATOM 0 H VAL A 110 -6.938 7.726 0.764 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.937 10.445 1.888 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.919 8.242 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.317 9.713 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.773 10.358 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.477 11.058 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.904 8.331 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.152 9.598 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.522 7.964 3.401 1.00 0.00 H new ATOM 1707 N GLN A 111 -6.002 9.654 -1.106 1.00 0.00 N ATOM 1708 CA GLN A 111 -5.592 10.193 -2.392 1.00 0.00 C ATOM 1709 C GLN A 111 -6.644 11.172 -2.917 1.00 0.00 C ATOM 1710 O GLN A 111 -6.308 12.163 -3.563 1.00 0.00 O ATOM 1711 CB GLN A 111 -5.334 9.072 -3.400 1.00 0.00 C ATOM 1712 CG GLN A 111 -6.526 8.897 -4.342 1.00 0.00 C ATOM 1713 CD GLN A 111 -6.434 7.572 -5.103 1.00 0.00 C ATOM 1714 OE1 GLN A 111 -5.502 6.802 -4.948 1.00 0.00 O ATOM 1715 NE2 GLN A 111 -7.452 7.353 -5.931 1.00 0.00 N ATOM 0 H GLN A 111 -6.292 8.676 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.656 10.735 -2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -4.438 9.298 -3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.144 8.138 -2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -7.454 8.928 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -6.559 9.725 -5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.201 8.041 -6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -7.484 6.497 -6.485 1.00 0.00 H new ATOM 1724 N ARG A 112 -7.897 10.859 -2.620 1.00 0.00 N ATOM 1725 CA ARG A 112 -9.001 11.698 -3.054 1.00 0.00 C ATOM 1726 C ARG A 112 -9.148 12.905 -2.126 1.00 0.00 C ATOM 1727 O ARG A 112 -9.554 13.982 -2.560 1.00 0.00 O ATOM 1728 CB ARG A 112 -10.315 10.914 -3.072 1.00 0.00 C ATOM 1729 CG ARG A 112 -10.793 10.613 -1.650 1.00 0.00 C ATOM 1730 CD ARG A 112 -11.814 11.652 -1.184 1.00 0.00 C ATOM 1731 NE ARG A 112 -13.039 11.564 -2.010 1.00 0.00 N ATOM 1732 CZ ARG A 112 -13.928 10.565 -1.933 1.00 0.00 C ATOM 1733 NH1 ARG A 112 -13.734 9.561 -1.066 1.00 0.00 N ATOM 1734 NH2 ARG A 112 -15.011 10.568 -2.722 1.00 0.00 N ATOM 0 H ARG A 112 -8.172 10.036 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.780 12.038 -4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.077 11.486 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.179 9.981 -3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.239 9.619 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -9.941 10.605 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.060 11.487 -0.135 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.387 12.652 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.218 12.312 -2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.910 9.558 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.411 8.800 -1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.159 11.331 -3.382 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.687 9.807 -2.663 1.00 0.00 H new ATOM 1748 N ARG A 113 -8.810 12.685 -0.864 1.00 0.00 N ATOM 1749 CA ARG A 113 -8.899 13.741 0.130 1.00 0.00 C ATOM 1750 C ARG A 113 -7.731 14.717 -0.027 1.00 0.00 C ATOM 1751 O ARG A 113 -7.856 15.897 0.297 1.00 0.00 O ATOM 1752 CB ARG A 113 -8.886 13.166 1.548 1.00 0.00 C ATOM 1753 CG ARG A 113 -10.283 13.213 2.171 1.00 0.00 C ATOM 1754 CD ARG A 113 -10.240 13.836 3.567 1.00 0.00 C ATOM 1755 NE ARG A 113 -11.192 14.966 3.647 1.00 0.00 N ATOM 1756 CZ ARG A 113 -10.931 16.202 3.199 1.00 0.00 C ATOM 1757 NH1 ARG A 113 -9.745 16.474 2.637 1.00 0.00 N ATOM 1758 NH2 ARG A 113 -11.855 17.165 3.313 1.00 0.00 N ATOM 0 H ARG A 113 -8.474 11.791 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.841 14.266 -0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.529 12.136 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.189 13.730 2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.951 13.790 1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.692 12.205 2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.490 13.085 4.317 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.231 14.184 3.788 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.104 14.793 4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.041 15.741 2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.546 17.414 2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.757 16.958 3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.656 18.106 2.972 1.00 0.00 H new ATOM 1772 N VAL A 114 -6.622 14.189 -0.524 1.00 0.00 N ATOM 1773 CA VAL A 114 -5.434 14.999 -0.728 1.00 0.00 C ATOM 1774 C VAL A 114 -5.665 15.949 -1.905 1.00 0.00 C ATOM 1775 O VAL A 114 -5.269 17.113 -1.855 1.00 0.00 O ATOM 1776 CB VAL A 114 -4.212 14.098 -0.918 1.00 0.00 C ATOM 1777 CG1 VAL A 114 -3.041 14.880 -1.516 1.00 0.00 C ATOM 1778 CG2 VAL A 114 -3.811 13.432 0.400 1.00 0.00 C ATOM 0 H VAL A 114 -6.522 13.210 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.235 15.613 0.151 1.00 0.00 H new ATOM 0 HB VAL A 114 -4.483 13.311 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -2.186 14.216 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -3.331 15.284 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -2.771 15.698 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.940 12.797 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.569 14.199 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.638 12.825 0.767 1.00 0.00 H new ATOM 1788 N SER A 115 -6.305 15.418 -2.936 1.00 0.00 N ATOM 1789 CA SER A 115 -6.593 16.204 -4.123 1.00 0.00 C ATOM 1790 C SER A 115 -7.519 17.369 -3.768 1.00 0.00 C ATOM 1791 O SER A 115 -7.229 18.519 -4.095 1.00 0.00 O ATOM 1792 CB SER A 115 -7.224 15.339 -5.216 1.00 0.00 C ATOM 1793 OG SER A 115 -6.504 14.126 -5.420 1.00 0.00 O ATOM 0 H SER A 115 -6.632 14.453 -2.974 1.00 0.00 H new ATOM 0 HA SER A 115 -5.653 16.600 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.254 15.108 -4.946 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.258 15.902 -6.149 1.00 0.00 H new ATOM 0 HG SER A 115 -6.660 13.522 -4.664 1.00 0.00 H new ATOM 1799 N GLU A 116 -8.613 17.031 -3.102 1.00 0.00 N ATOM 1800 CA GLU A 116 -9.583 18.035 -2.698 1.00 0.00 C ATOM 1801 C GLU A 116 -8.897 19.142 -1.894 1.00 0.00 C ATOM 1802 O GLU A 116 -9.350 20.286 -1.894 1.00 0.00 O ATOM 1803 CB GLU A 116 -10.725 17.404 -1.899 1.00 0.00 C ATOM 1804 CG GLU A 116 -11.726 16.712 -2.827 1.00 0.00 C ATOM 1805 CD GLU A 116 -13.005 16.340 -2.074 1.00 0.00 C ATOM 1806 OE1 GLU A 116 -13.621 17.269 -1.509 1.00 0.00 O ATOM 1807 OE2 GLU A 116 -13.337 15.135 -2.080 1.00 0.00 O ATOM 0 H GLU A 116 -8.849 16.076 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.014 18.478 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.322 16.681 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.234 18.172 -1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.969 17.370 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.275 15.815 -3.250 1.00 0.00 H new ATOM 1814 N LYS A 117 -7.817 18.763 -1.228 1.00 0.00 N ATOM 1815 CA LYS A 117 -7.065 19.709 -0.421 1.00 0.00 C ATOM 1816 C LYS A 117 -6.323 20.681 -1.341 1.00 0.00 C ATOM 1817 O LYS A 117 -6.376 21.894 -1.141 1.00 0.00 O ATOM 1818 CB LYS A 117 -6.150 18.970 0.558 1.00 0.00 C ATOM 1819 CG LYS A 117 -5.951 19.780 1.841 1.00 0.00 C ATOM 1820 CD LYS A 117 -4.808 20.785 1.683 1.00 0.00 C ATOM 1821 CE LYS A 117 -3.460 20.137 2.003 1.00 0.00 C ATOM 1822 NZ LYS A 117 -2.369 20.822 1.274 1.00 0.00 N ATOM 0 H LYS A 117 -7.444 17.814 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.739 20.304 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.580 17.998 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.184 18.783 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -6.872 20.307 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.736 19.107 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.797 21.171 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.973 21.636 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -3.273 20.183 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -3.483 19.082 1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.461 20.369 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.541 20.756 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -2.338 21.823 1.556 1.00 0.00 H new ATOM 1836 N GLU A 118 -5.650 20.112 -2.331 1.00 0.00 N ATOM 1837 CA GLU A 118 -4.899 20.913 -3.282 1.00 0.00 C ATOM 1838 C GLU A 118 -5.853 21.660 -4.217 1.00 0.00 C ATOM 1839 O GLU A 118 -5.443 22.580 -4.923 1.00 0.00 O ATOM 1840 CB GLU A 118 -3.921 20.046 -4.077 1.00 0.00 C ATOM 1841 CG GLU A 118 -2.625 19.824 -3.294 1.00 0.00 C ATOM 1842 CD GLU A 118 -1.634 20.963 -3.539 1.00 0.00 C ATOM 1843 OE1 GLU A 118 -0.885 20.860 -4.534 1.00 0.00 O ATOM 1844 OE2 GLU A 118 -1.647 21.912 -2.725 1.00 0.00 O ATOM 0 H GLU A 118 -5.609 19.106 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.315 21.647 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.383 19.085 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.697 20.525 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.847 19.753 -2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.175 18.876 -3.590 1.00 0.00 H new