USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=26 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 22 ASN : amide:sc= -3.86! C(o=-5.4!,f=-6.7!) USER MOD Set 1.2: A 67 THR OG1 : rot -60:sc= -1.58 USER MOD Set 2.1: A 58 HIS :FLIP no HD1:sc= -0.356 F(o=-1.1,f=-0.37) USER MOD Set 2.2: A 62 GLN :FLIP amide:sc= -0.0154 X(o=-0.4,f=-0.37) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.145 USER MOD Single : A 17 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.3!) USER MOD Single : A 18 THR OG1 : rot 125:sc= 1.16 USER MOD Single : A 19 CYS SG : rot 88:sc= -1.42 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 97:sc= -0.692 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.92 F(o=-2.5,f=-1.9) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.041 K(o=-0.041,f=-0.61) USER MOD Single : A 37 MET CE :methyl -119:sc= -4.38! (180deg=-7.52!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.7!) USER MOD Single : A 54 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.8!) USER MOD Single : A 55 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.4!) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.81! C(o=-3.9!,f=-1.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 77:sc= -2.33! USER MOD Single : A 61 ASN : amide:sc= -0.0162 K(o=-0.016,f=-0.83) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0127 K(o=-0.013,f=-0.86) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= 0.0103 (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= -0.126 X(o=-0.13,f=-0.1) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0608 F(o=-1,f=-0.061) USER MOD Single : A 89 GLN : amide:sc= -0.948 K(o=-0.95,f=-4.8!) USER MOD Single : A 92 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.078) USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.013) USER MOD Single : A 97 MET CE :methyl 145:sc= -1.02 (180deg=-4.23!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot -74:sc= -2.5 USER MOD Single : A 105 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.2) USER MOD Single : A 106 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.6!) USER MOD Single : A 108 GLN : amide:sc= -1.56 K(o=-1.6,f=-3.1!) USER MOD Single : A 111 GLN : amide:sc= -1.38 K(o=-1.4,f=-6.1!) USER MOD Single : A 115 SER OG : rot 75:sc= 0.0651 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N ASP A 11 8.858 -17.223 -3.539 1.00 0.00 N ATOM 127 CA ASP A 11 8.181 -18.221 -2.729 1.00 0.00 C ATOM 128 C ASP A 11 6.983 -17.578 -2.029 1.00 0.00 C ATOM 129 O ASP A 11 6.997 -16.382 -1.740 1.00 0.00 O ATOM 130 CB ASP A 11 9.113 -18.781 -1.652 1.00 0.00 C ATOM 131 CG ASP A 11 8.590 -20.021 -0.925 1.00 0.00 C ATOM 132 OD1 ASP A 11 8.494 -21.073 -1.594 1.00 0.00 O ATOM 133 OD2 ASP A 11 8.298 -19.890 0.283 1.00 0.00 O ATOM 0 HA ASP A 11 7.863 -19.029 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.070 -19.025 -2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.303 -18.000 -0.916 1.00 0.00 H new ATOM 138 N PHE A 12 5.973 -18.399 -1.778 1.00 0.00 N ATOM 139 CA PHE A 12 4.769 -17.924 -1.118 1.00 0.00 C ATOM 140 C PHE A 12 5.114 -17.047 0.087 1.00 0.00 C ATOM 141 O PHE A 12 4.569 -15.955 0.240 1.00 0.00 O ATOM 142 CB PHE A 12 4.008 -19.160 -0.633 1.00 0.00 C ATOM 143 CG PHE A 12 2.561 -18.879 -0.225 1.00 0.00 C ATOM 144 CD1 PHE A 12 2.279 -18.468 1.040 1.00 0.00 C ATOM 145 CD2 PHE A 12 1.556 -19.041 -1.127 1.00 0.00 C ATOM 146 CE1 PHE A 12 0.936 -18.207 1.420 1.00 0.00 C ATOM 147 CE2 PHE A 12 0.213 -18.780 -0.747 1.00 0.00 C ATOM 148 CZ PHE A 12 -0.069 -18.369 0.518 1.00 0.00 C ATOM 0 H PHE A 12 5.964 -19.390 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 12 4.176 -17.326 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.013 -19.910 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.538 -19.590 0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.077 -18.340 1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.779 -19.368 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.713 -17.880 2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.585 -18.908 -1.463 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.091 -18.171 0.807 1.00 0.00 H new ATOM 158 N SER A 13 6.016 -17.557 0.911 1.00 0.00 N ATOM 159 CA SER A 13 6.440 -16.833 2.098 1.00 0.00 C ATOM 160 C SER A 13 7.204 -15.570 1.695 1.00 0.00 C ATOM 161 O SER A 13 7.252 -14.602 2.452 1.00 0.00 O ATOM 162 CB SER A 13 7.307 -17.714 3.000 1.00 0.00 C ATOM 163 OG SER A 13 6.574 -18.228 4.108 1.00 0.00 O ATOM 0 H SER A 13 6.466 -18.463 0.781 1.00 0.00 H new ATOM 0 HA SER A 13 5.551 -16.548 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.712 -18.542 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.156 -17.135 3.364 1.00 0.00 H new ATOM 0 HG SER A 13 7.162 -18.786 4.658 1.00 0.00 H new ATOM 169 N SER A 14 7.784 -15.622 0.505 1.00 0.00 N ATOM 170 CA SER A 14 8.544 -14.494 -0.007 1.00 0.00 C ATOM 171 C SER A 14 7.593 -13.425 -0.547 1.00 0.00 C ATOM 172 O SER A 14 7.885 -12.232 -0.468 1.00 0.00 O ATOM 173 CB SER A 14 9.520 -14.938 -1.099 1.00 0.00 C ATOM 174 OG SER A 14 10.476 -15.875 -0.612 1.00 0.00 O ATOM 0 H SER A 14 7.743 -16.427 -0.119 1.00 0.00 H new ATOM 0 HA SER A 14 9.126 -14.073 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.963 -15.384 -1.923 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.038 -14.066 -1.499 1.00 0.00 H new ATOM 0 HG SER A 14 11.079 -16.135 -1.339 1.00 0.00 H new ATOM 180 N ILE A 15 6.475 -13.889 -1.085 1.00 0.00 N ATOM 181 CA ILE A 15 5.479 -12.987 -1.639 1.00 0.00 C ATOM 182 C ILE A 15 4.607 -12.441 -0.507 1.00 0.00 C ATOM 183 O ILE A 15 4.243 -11.266 -0.511 1.00 0.00 O ATOM 184 CB ILE A 15 4.685 -13.681 -2.747 1.00 0.00 C ATOM 185 CG1 ILE A 15 5.615 -14.211 -3.840 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.606 -12.754 -3.311 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.886 -15.204 -4.747 1.00 0.00 C ATOM 0 H ILE A 15 6.236 -14.879 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 15 5.961 -12.131 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 15 4.176 -14.542 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.993 -13.380 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.478 -14.696 -3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.056 -13.272 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.919 -12.469 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.074 -11.860 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.570 -15.565 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.530 -16.046 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.038 -14.710 -5.220 1.00 0.00 H new ATOM 199 N ILE A 16 4.298 -13.319 0.436 1.00 0.00 N ATOM 200 CA ILE A 16 3.475 -12.939 1.572 1.00 0.00 C ATOM 201 C ILE A 16 4.224 -11.905 2.415 1.00 0.00 C ATOM 202 O ILE A 16 3.826 -10.742 2.475 1.00 0.00 O ATOM 203 CB ILE A 16 3.044 -14.178 2.359 1.00 0.00 C ATOM 204 CG1 ILE A 16 2.032 -15.007 1.566 1.00 0.00 C ATOM 205 CG2 ILE A 16 2.511 -13.792 3.741 1.00 0.00 C ATOM 206 CD1 ILE A 16 0.892 -15.489 2.466 1.00 0.00 C ATOM 0 H ILE A 16 4.603 -14.292 0.437 1.00 0.00 H new ATOM 0 HA ILE A 16 2.552 -12.468 1.234 1.00 0.00 H new ATOM 0 HB ILE A 16 3.922 -14.805 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.627 -14.409 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.532 -15.865 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.212 -14.691 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.291 -13.277 4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.650 -13.133 3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.187 -16.076 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.297 -16.106 3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.379 -14.629 2.895 1.00 0.00 H new ATOM 218 N GLN A 17 5.295 -12.365 3.045 1.00 0.00 N ATOM 219 CA GLN A 17 6.103 -11.494 3.882 1.00 0.00 C ATOM 220 C GLN A 17 6.227 -10.110 3.242 1.00 0.00 C ATOM 221 O GLN A 17 5.892 -9.102 3.863 1.00 0.00 O ATOM 222 CB GLN A 17 7.481 -12.105 4.139 1.00 0.00 C ATOM 223 CG GLN A 17 7.419 -13.147 5.257 1.00 0.00 C ATOM 224 CD GLN A 17 8.381 -12.791 6.393 1.00 0.00 C ATOM 225 OE1 GLN A 17 8.825 -11.664 6.535 1.00 0.00 O ATOM 226 NE2 GLN A 17 8.678 -13.813 7.191 1.00 0.00 N ATOM 0 H GLN A 17 5.622 -13.330 2.993 1.00 0.00 H new ATOM 0 HA GLN A 17 5.606 -11.384 4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.853 -12.568 3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.187 -11.319 4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.402 -13.211 5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.670 -14.130 4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.271 -14.732 7.016 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.313 -13.678 7.978 1.00 0.00 H new ATOM 235 N THR A 18 6.711 -10.104 2.009 1.00 0.00 N ATOM 236 CA THR A 18 6.884 -8.860 1.278 1.00 0.00 C ATOM 237 C THR A 18 5.580 -8.061 1.270 1.00 0.00 C ATOM 238 O THR A 18 5.593 -6.842 1.433 1.00 0.00 O ATOM 239 CB THR A 18 7.396 -9.202 -0.122 1.00 0.00 C ATOM 240 OG1 THR A 18 8.583 -9.953 0.116 1.00 0.00 O ATOM 241 CG2 THR A 18 7.883 -7.968 -0.885 1.00 0.00 C ATOM 0 H THR A 18 6.989 -10.941 1.497 1.00 0.00 H new ATOM 0 HA THR A 18 7.620 -8.216 1.760 1.00 0.00 H new ATOM 0 HB THR A 18 6.603 -9.690 -0.689 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.522 -10.816 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.236 -8.266 -1.872 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.062 -7.259 -0.992 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.699 -7.499 -0.335 1.00 0.00 H new ATOM 249 N CYS A 19 4.483 -8.780 1.077 1.00 0.00 N ATOM 250 CA CYS A 19 3.173 -8.153 1.045 1.00 0.00 C ATOM 251 C CYS A 19 2.893 -7.555 2.426 1.00 0.00 C ATOM 252 O CYS A 19 2.714 -6.345 2.558 1.00 0.00 O ATOM 253 CB CYS A 19 2.084 -9.139 0.618 1.00 0.00 C ATOM 254 SG CYS A 19 2.101 -9.341 -1.200 1.00 0.00 S ATOM 0 H CYS A 19 4.475 -9.791 0.941 1.00 0.00 H new ATOM 0 HA CYS A 19 3.165 -7.359 0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.245 -10.103 1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.108 -8.779 0.943 1.00 0.00 H new ATOM 0 HG CYS A 19 2.929 -10.289 -1.524 1.00 0.00 H new ATOM 260 N SER A 20 2.863 -8.431 3.419 1.00 0.00 N ATOM 261 CA SER A 20 2.607 -8.005 4.785 1.00 0.00 C ATOM 262 C SER A 20 3.313 -6.676 5.060 1.00 0.00 C ATOM 263 O SER A 20 2.695 -5.729 5.542 1.00 0.00 O ATOM 264 CB SER A 20 3.065 -9.067 5.788 1.00 0.00 C ATOM 265 OG SER A 20 2.678 -8.744 7.120 1.00 0.00 O ATOM 0 H SER A 20 3.012 -9.434 3.305 1.00 0.00 H new ATOM 0 HA SER A 20 1.532 -7.870 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.642 -10.033 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.149 -9.168 5.740 1.00 0.00 H new ATOM 0 HG SER A 20 2.987 -9.446 7.730 1.00 0.00 H new ATOM 271 N GLY A 21 4.599 -6.648 4.740 1.00 0.00 N ATOM 272 CA GLY A 21 5.395 -5.451 4.946 1.00 0.00 C ATOM 273 C GLY A 21 4.832 -4.273 4.148 1.00 0.00 C ATOM 274 O GLY A 21 4.370 -3.291 4.727 1.00 0.00 O ATOM 0 H GLY A 21 5.109 -7.436 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.413 -5.200 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.426 -5.639 4.645 1.00 0.00 H new ATOM 278 N ASN A 22 4.888 -4.411 2.832 1.00 0.00 N ATOM 279 CA ASN A 22 4.389 -3.371 1.949 1.00 0.00 C ATOM 280 C ASN A 22 3.086 -2.806 2.518 1.00 0.00 C ATOM 281 O ASN A 22 2.983 -1.607 2.772 1.00 0.00 O ATOM 282 CB ASN A 22 4.093 -3.927 0.554 1.00 0.00 C ATOM 283 CG ASN A 22 5.307 -4.669 -0.009 1.00 0.00 C ATOM 284 OD1 ASN A 22 6.407 -4.599 0.515 1.00 0.00 O ATOM 285 ND2 ASN A 22 5.047 -5.380 -1.101 1.00 0.00 N ATOM 0 H ASN A 22 5.271 -5.227 2.356 1.00 0.00 H new ATOM 0 HA ASN A 22 5.153 -2.598 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.239 -4.603 0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.818 -3.112 -0.115 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.791 -5.911 -1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.103 -5.395 -1.487 1.00 0.00 H new ATOM 292 N ILE A 23 2.123 -3.697 2.702 1.00 0.00 N ATOM 293 CA ILE A 23 0.830 -3.303 3.237 1.00 0.00 C ATOM 294 C ILE A 23 1.036 -2.265 4.342 1.00 0.00 C ATOM 295 O ILE A 23 0.573 -1.131 4.228 1.00 0.00 O ATOM 296 CB ILE A 23 0.039 -4.532 3.688 1.00 0.00 C ATOM 297 CG1 ILE A 23 -0.472 -5.327 2.484 1.00 0.00 C ATOM 298 CG2 ILE A 23 -1.094 -4.137 4.637 1.00 0.00 C ATOM 299 CD1 ILE A 23 -1.230 -6.577 2.935 1.00 0.00 C ATOM 0 H ILE A 23 2.212 -4.691 2.490 1.00 0.00 H new ATOM 0 HA ILE A 23 0.225 -2.831 2.463 1.00 0.00 H new ATOM 0 HB ILE A 23 0.711 -5.186 4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.126 -4.699 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.367 -5.615 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.640 -5.029 4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.677 -3.648 5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.773 -3.452 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.583 -7.124 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.566 -7.215 3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.083 -6.284 3.548 1.00 0.00 H new ATOM 311 N GLN A 24 1.730 -2.690 5.388 1.00 0.00 N ATOM 312 CA GLN A 24 2.003 -1.811 6.513 1.00 0.00 C ATOM 313 C GLN A 24 2.420 -0.426 6.015 1.00 0.00 C ATOM 314 O GLN A 24 1.757 0.568 6.307 1.00 0.00 O ATOM 315 CB GLN A 24 3.072 -2.410 7.429 1.00 0.00 C ATOM 316 CG GLN A 24 2.472 -3.479 8.345 1.00 0.00 C ATOM 317 CD GLN A 24 3.438 -3.835 9.478 1.00 0.00 C ATOM 318 OE1 GLN A 24 4.639 -3.942 9.293 1.00 0.00 O ATOM 319 NE2 GLN A 24 2.847 -4.011 10.656 1.00 0.00 N ATOM 0 H GLN A 24 2.111 -3.631 5.480 1.00 0.00 H new ATOM 0 HA GLN A 24 1.089 -1.705 7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.869 -2.847 6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.524 -1.622 8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.532 -3.119 8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.241 -4.372 7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.836 -3.906 10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.405 -4.251 11.476 1.00 0.00 H new ATOM 328 N ARG A 25 3.518 -0.405 5.273 1.00 0.00 N ATOM 329 CA ARG A 25 4.031 0.842 4.732 1.00 0.00 C ATOM 330 C ARG A 25 2.899 1.653 4.100 1.00 0.00 C ATOM 331 O ARG A 25 2.683 2.810 4.460 1.00 0.00 O ATOM 332 CB ARG A 25 5.112 0.583 3.680 1.00 0.00 C ATOM 333 CG ARG A 25 6.509 0.659 4.299 1.00 0.00 C ATOM 334 CD ARG A 25 7.148 -0.728 4.384 1.00 0.00 C ATOM 335 NE ARG A 25 8.133 -0.765 5.489 1.00 0.00 N ATOM 336 CZ ARG A 25 9.297 -0.102 5.479 1.00 0.00 C ATOM 337 NH1 ARG A 25 9.630 0.652 4.423 1.00 0.00 N ATOM 338 NH2 ARG A 25 10.129 -0.194 6.525 1.00 0.00 N ATOM 0 H ARG A 25 4.066 -1.231 5.034 1.00 0.00 H new ATOM 0 HA ARG A 25 4.469 1.405 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.961 -0.400 3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.026 1.315 2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.140 1.318 3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.446 1.096 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.378 -1.483 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.638 -0.970 3.441 1.00 0.00 H new ATOM 0 HE ARG A 25 7.911 -1.330 6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.997 0.721 3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.516 1.157 4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.876 -0.769 7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.015 0.311 6.518 1.00 0.00 H new ATOM 352 N ILE A 26 2.204 1.015 3.169 1.00 0.00 N ATOM 353 CA ILE A 26 1.099 1.663 2.484 1.00 0.00 C ATOM 354 C ILE A 26 0.216 2.376 3.510 1.00 0.00 C ATOM 355 O ILE A 26 -0.116 3.548 3.340 1.00 0.00 O ATOM 356 CB ILE A 26 0.342 0.656 1.616 1.00 0.00 C ATOM 357 CG1 ILE A 26 1.254 0.067 0.538 1.00 0.00 C ATOM 358 CG2 ILE A 26 -0.919 1.284 1.020 1.00 0.00 C ATOM 359 CD1 ILE A 26 0.544 -1.048 -0.232 1.00 0.00 C ATOM 0 H ILE A 26 2.385 0.056 2.873 1.00 0.00 H new ATOM 0 HA ILE A 26 1.470 2.425 1.798 1.00 0.00 H new ATOM 0 HB ILE A 26 0.020 -0.169 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.561 0.852 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.161 -0.325 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.438 0.547 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.576 1.615 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.643 2.139 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.214 -1.449 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.260 -1.843 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.349 -0.647 -0.711 1.00 0.00 H new ATOM 371 N SER A 27 -0.138 1.639 4.552 1.00 0.00 N ATOM 372 CA SER A 27 -0.976 2.186 5.606 1.00 0.00 C ATOM 373 C SER A 27 -0.205 3.252 6.388 1.00 0.00 C ATOM 374 O SER A 27 -0.790 4.224 6.862 1.00 0.00 O ATOM 375 CB SER A 27 -1.464 1.085 6.549 1.00 0.00 C ATOM 376 OG SER A 27 -2.855 1.207 6.837 1.00 0.00 O ATOM 0 H SER A 27 0.140 0.667 4.689 1.00 0.00 H new ATOM 0 HA SER A 27 -1.850 2.645 5.144 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.271 0.111 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.896 1.126 7.479 1.00 0.00 H new ATOM 0 HG SER A 27 -3.129 0.485 7.441 1.00 0.00 H new ATOM 382 N GLN A 28 1.097 3.033 6.498 1.00 0.00 N ATOM 383 CA GLN A 28 1.955 3.962 7.214 1.00 0.00 C ATOM 384 C GLN A 28 1.970 5.320 6.510 1.00 0.00 C ATOM 385 O GLN A 28 1.490 6.312 7.057 1.00 0.00 O ATOM 386 CB GLN A 28 3.372 3.402 7.356 1.00 0.00 C ATOM 387 CG GLN A 28 3.396 2.210 8.314 1.00 0.00 C ATOM 388 CD GLN A 28 4.613 2.276 9.240 1.00 0.00 C ATOM 389 OE1 GLN A 28 4.530 2.678 10.388 1.00 0.00 O ATOM 390 NE2 GLN A 28 5.744 1.859 8.677 1.00 0.00 N ATOM 0 H GLN A 28 1.579 2.225 6.103 1.00 0.00 H new ATOM 0 HA GLN A 28 1.552 4.099 8.217 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.746 3.096 6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.040 4.181 7.723 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.482 2.198 8.908 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.418 1.281 7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.743 1.535 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.612 1.864 9.212 1.00 0.00 H new ATOM 399 N ALA A 29 2.526 5.322 5.307 1.00 0.00 N ATOM 400 CA ALA A 29 2.610 6.542 4.523 1.00 0.00 C ATOM 401 C ALA A 29 1.247 7.238 4.523 1.00 0.00 C ATOM 402 O ALA A 29 1.170 8.460 4.640 1.00 0.00 O ATOM 403 CB ALA A 29 3.094 6.209 3.111 1.00 0.00 C ATOM 0 H ALA A 29 2.923 4.497 4.856 1.00 0.00 H new ATOM 0 HA ALA A 29 3.332 7.231 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.157 7.124 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.078 5.743 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.392 5.522 2.639 1.00 0.00 H new ATOM 409 N THR A 30 0.205 6.430 4.392 1.00 0.00 N ATOM 410 CA THR A 30 -1.150 6.953 4.376 1.00 0.00 C ATOM 411 C THR A 30 -1.449 7.701 5.676 1.00 0.00 C ATOM 412 O THR A 30 -2.244 8.640 5.688 1.00 0.00 O ATOM 413 CB THR A 30 -2.104 5.785 4.114 1.00 0.00 C ATOM 414 OG1 THR A 30 -2.069 5.619 2.699 1.00 0.00 O ATOM 415 CG2 THR A 30 -3.562 6.142 4.411 1.00 0.00 C ATOM 0 H THR A 30 0.272 5.417 4.296 1.00 0.00 H new ATOM 0 HA THR A 30 -1.282 7.685 3.579 1.00 0.00 H new ATOM 0 HB THR A 30 -1.808 4.931 4.723 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.435 4.909 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.196 5.279 4.209 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.661 6.427 5.458 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.869 6.974 3.778 1.00 0.00 H new ATOM 423 N ALA A 31 -0.795 7.259 6.740 1.00 0.00 N ATOM 424 CA ALA A 31 -0.980 7.875 8.043 1.00 0.00 C ATOM 425 C ALA A 31 -0.197 9.189 8.097 1.00 0.00 C ATOM 426 O ALA A 31 -0.677 10.180 8.644 1.00 0.00 O ATOM 427 CB ALA A 31 -0.552 6.896 9.137 1.00 0.00 C ATOM 0 H ALA A 31 -0.136 6.481 6.726 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.031 8.110 8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.691 7.359 10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.158 5.992 9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.499 6.638 9.004 1.00 0.00 H new ATOM 433 N GLN A 32 0.996 9.153 7.520 1.00 0.00 N ATOM 434 CA GLN A 32 1.850 10.328 7.496 1.00 0.00 C ATOM 435 C GLN A 32 1.152 11.477 6.764 1.00 0.00 C ATOM 436 O GLN A 32 1.250 12.631 7.178 1.00 0.00 O ATOM 437 CB GLN A 32 3.202 10.010 6.854 1.00 0.00 C ATOM 438 CG GLN A 32 4.208 9.534 7.903 1.00 0.00 C ATOM 439 CD GLN A 32 4.873 8.225 7.470 1.00 0.00 C ATOM 440 OE1 GLN A 32 4.015 7.247 7.197 1.00 0.00 O flip ATOM 441 NE2 GLN A 32 6.085 8.112 7.390 1.00 0.00 N flip ATOM 0 H GLN A 32 1.391 8.329 7.066 1.00 0.00 H new ATOM 0 HA GLN A 32 2.037 10.638 8.524 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.075 9.241 6.092 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.588 10.897 6.351 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.969 10.299 8.056 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.703 9.391 8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.687 8.904 7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.496 7.225 7.099 1.00 0.00 H new ATOM 450 N ILE A 33 0.464 11.120 5.690 1.00 0.00 N ATOM 451 CA ILE A 33 -0.250 12.106 4.897 1.00 0.00 C ATOM 452 C ILE A 33 -1.332 12.761 5.758 1.00 0.00 C ATOM 453 O ILE A 33 -1.477 13.982 5.757 1.00 0.00 O ATOM 454 CB ILE A 33 -0.786 11.474 3.611 1.00 0.00 C ATOM 455 CG1 ILE A 33 0.327 11.312 2.574 1.00 0.00 C ATOM 456 CG2 ILE A 33 -1.971 12.271 3.061 1.00 0.00 C ATOM 457 CD1 ILE A 33 0.358 9.886 2.021 1.00 0.00 C ATOM 0 H ILE A 33 0.386 10.161 5.350 1.00 0.00 H new ATOM 0 HA ILE A 33 0.426 12.899 4.577 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.152 10.475 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.175 12.019 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.289 11.551 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.333 11.801 2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.771 12.290 3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.654 13.291 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.158 9.798 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.535 9.184 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.597 9.659 1.547 1.00 0.00 H new ATOM 469 N LYS A 34 -2.064 11.919 6.473 1.00 0.00 N ATOM 470 CA LYS A 34 -3.129 12.400 7.337 1.00 0.00 C ATOM 471 C LYS A 34 -2.520 13.185 8.500 1.00 0.00 C ATOM 472 O LYS A 34 -3.014 14.252 8.860 1.00 0.00 O ATOM 473 CB LYS A 34 -4.025 11.241 7.779 1.00 0.00 C ATOM 474 CG LYS A 34 -5.149 11.001 6.769 1.00 0.00 C ATOM 475 CD LYS A 34 -6.068 9.868 7.230 1.00 0.00 C ATOM 476 CE LYS A 34 -7.180 9.615 6.210 1.00 0.00 C ATOM 477 NZ LYS A 34 -8.485 10.067 6.744 1.00 0.00 N ATOM 0 H LYS A 34 -1.941 10.907 6.472 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.780 13.086 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.428 10.335 7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.451 11.459 8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.729 11.915 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.722 10.755 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.486 8.958 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.506 10.120 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.958 10.142 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.227 8.553 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.229 9.888 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.702 9.545 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.442 11.085 6.951 1.00 0.00 H new ATOM 491 N ASN A 35 -1.456 12.625 9.057 1.00 0.00 N ATOM 492 CA ASN A 35 -0.774 13.259 10.173 1.00 0.00 C ATOM 493 C ASN A 35 -0.165 14.583 9.707 1.00 0.00 C ATOM 494 O ASN A 35 -0.134 15.556 10.459 1.00 0.00 O ATOM 495 CB ASN A 35 0.359 12.377 10.700 1.00 0.00 C ATOM 496 CG ASN A 35 -0.185 11.265 11.599 1.00 0.00 C ATOM 497 OD1 ASN A 35 -1.063 11.470 12.421 1.00 0.00 O ATOM 498 ND2 ASN A 35 0.385 10.080 11.399 1.00 0.00 N ATOM 0 H ASN A 35 -1.049 11.739 8.756 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.504 13.420 10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.903 11.939 9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.069 12.986 11.259 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.092 9.274 11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.115 9.978 10.694 1.00 0.00 H new ATOM 505 N LEU A 36 0.304 14.578 8.468 1.00 0.00 N ATOM 506 CA LEU A 36 0.911 15.767 7.892 1.00 0.00 C ATOM 507 C LEU A 36 -0.190 16.704 7.392 1.00 0.00 C ATOM 508 O LEU A 36 0.072 17.867 7.087 1.00 0.00 O ATOM 509 CB LEU A 36 1.927 15.381 6.815 1.00 0.00 C ATOM 510 CG LEU A 36 3.186 14.664 7.306 1.00 0.00 C ATOM 511 CD1 LEU A 36 3.919 13.987 6.147 1.00 0.00 C ATOM 512 CD2 LEU A 36 4.096 15.621 8.079 1.00 0.00 C ATOM 0 H LEU A 36 0.276 13.770 7.847 1.00 0.00 H new ATOM 0 HA LEU A 36 1.475 16.312 8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.429 14.741 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.230 16.286 6.289 1.00 0.00 H new ATOM 0 HG LEU A 36 2.883 13.878 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.810 13.485 6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.261 13.255 5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.209 14.738 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.984 15.086 8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.394 16.444 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.560 16.015 8.942 1.00 0.00 H new ATOM 524 N MET A 37 -1.398 16.164 7.324 1.00 0.00 N ATOM 525 CA MET A 37 -2.539 16.939 6.867 1.00 0.00 C ATOM 526 C MET A 37 -3.049 17.867 7.970 1.00 0.00 C ATOM 527 O MET A 37 -3.538 18.961 7.689 1.00 0.00 O ATOM 528 CB MET A 37 -3.660 15.990 6.438 1.00 0.00 C ATOM 529 CG MET A 37 -4.155 16.327 5.030 1.00 0.00 C ATOM 530 SD MET A 37 -5.460 15.205 4.556 1.00 0.00 S ATOM 531 CE MET A 37 -4.499 13.740 4.214 1.00 0.00 C ATOM 0 H MET A 37 -1.611 15.199 7.578 1.00 0.00 H new ATOM 0 HA MET A 37 -2.225 17.551 6.021 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.300 14.961 6.464 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.488 16.057 7.144 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.519 17.354 5.000 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.331 16.260 4.320 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.631 13.454 3.171 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.445 13.944 4.404 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.833 12.927 4.858 1.00 0.00 H new ATOM 541 N SER A 38 -2.919 17.398 9.202 1.00 0.00 N ATOM 542 CA SER A 38 -3.361 18.173 10.349 1.00 0.00 C ATOM 543 C SER A 38 -2.350 19.280 10.653 1.00 0.00 C ATOM 544 O SER A 38 -2.729 20.378 11.058 1.00 0.00 O ATOM 545 CB SER A 38 -3.554 17.279 11.576 1.00 0.00 C ATOM 546 OG SER A 38 -4.135 17.989 12.667 1.00 0.00 O ATOM 0 H SER A 38 -2.514 16.491 9.431 1.00 0.00 H new ATOM 0 HA SER A 38 -4.323 18.625 10.107 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.191 16.434 11.313 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.591 16.869 11.881 1.00 0.00 H new ATOM 0 HG SER A 38 -4.243 17.384 13.430 1.00 0.00 H new ATOM 755 N ASN A 52 6.710 16.388 1.604 1.00 0.00 N ATOM 756 CA ASN A 52 6.725 15.171 2.398 1.00 0.00 C ATOM 757 C ASN A 52 5.545 14.287 1.992 1.00 0.00 C ATOM 758 O ASN A 52 5.659 13.062 1.973 1.00 0.00 O ATOM 759 CB ASN A 52 6.590 15.485 3.889 1.00 0.00 C ATOM 760 CG ASN A 52 7.430 14.523 4.731 1.00 0.00 C ATOM 761 OD1 ASN A 52 7.973 13.544 4.245 1.00 0.00 O ATOM 762 ND2 ASN A 52 7.507 14.854 6.016 1.00 0.00 N ATOM 0 HA ASN A 52 7.674 14.664 2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.907 16.511 4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.544 15.415 4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.045 14.275 6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.028 15.687 6.358 1.00 0.00 H new ATOM 769 N LEU A 53 4.437 14.942 1.677 1.00 0.00 N ATOM 770 CA LEU A 53 3.236 14.230 1.272 1.00 0.00 C ATOM 771 C LEU A 53 3.509 13.479 -0.033 1.00 0.00 C ATOM 772 O LEU A 53 3.524 12.250 -0.054 1.00 0.00 O ATOM 773 CB LEU A 53 2.047 15.189 1.193 1.00 0.00 C ATOM 774 CG LEU A 53 1.833 16.094 2.408 1.00 0.00 C ATOM 775 CD1 LEU A 53 0.856 17.226 2.083 1.00 0.00 C ATOM 776 CD2 LEU A 53 1.384 15.282 3.625 1.00 0.00 C ATOM 0 H LEU A 53 4.345 15.958 1.694 1.00 0.00 H new ATOM 0 HA LEU A 53 2.965 13.483 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.172 15.820 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.142 14.602 1.038 1.00 0.00 H new ATOM 0 HG LEU A 53 2.787 16.555 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.721 17.854 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.254 17.827 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.105 16.804 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.239 15.949 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.446 14.775 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.146 14.543 3.870 1.00 0.00 H new ATOM 788 N GLN A 54 3.718 14.251 -1.089 1.00 0.00 N ATOM 789 CA GLN A 54 3.989 13.674 -2.395 1.00 0.00 C ATOM 790 C GLN A 54 4.939 12.482 -2.262 1.00 0.00 C ATOM 791 O GLN A 54 4.655 11.398 -2.769 1.00 0.00 O ATOM 792 CB GLN A 54 4.558 14.724 -3.351 1.00 0.00 C ATOM 793 CG GLN A 54 3.500 15.182 -4.357 1.00 0.00 C ATOM 794 CD GLN A 54 3.873 14.755 -5.778 1.00 0.00 C ATOM 795 OE1 GLN A 54 4.696 13.881 -5.995 1.00 0.00 O ATOM 796 NE2 GLN A 54 3.223 15.419 -6.730 1.00 0.00 N ATOM 0 H GLN A 54 3.705 15.271 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 54 3.048 13.319 -2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.919 15.581 -2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.415 14.310 -3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.531 14.760 -4.089 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.398 16.266 -4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.546 16.139 -6.478 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.401 15.208 -7.712 1.00 0.00 H new ATOM 805 N GLN A 55 6.047 12.722 -1.577 1.00 0.00 N ATOM 806 CA GLN A 55 7.040 11.682 -1.370 1.00 0.00 C ATOM 807 C GLN A 55 6.393 10.448 -0.738 1.00 0.00 C ATOM 808 O GLN A 55 6.530 9.339 -1.251 1.00 0.00 O ATOM 809 CB GLN A 55 8.200 12.193 -0.513 1.00 0.00 C ATOM 810 CG GLN A 55 9.489 12.280 -1.332 1.00 0.00 C ATOM 811 CD GLN A 55 10.652 11.611 -0.595 1.00 0.00 C ATOM 812 OE1 GLN A 55 10.645 11.453 0.615 1.00 0.00 O ATOM 813 NE2 GLN A 55 11.648 11.229 -1.389 1.00 0.00 N ATOM 0 H GLN A 55 6.279 13.622 -1.158 1.00 0.00 H new ATOM 0 HA GLN A 55 7.447 11.398 -2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.954 13.175 -0.110 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.349 11.528 0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.343 11.800 -2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.730 13.325 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.590 11.392 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.470 10.773 -0.993 1.00 0.00 H new ATOM 822 N LEU A 56 5.701 10.684 0.368 1.00 0.00 N ATOM 823 CA LEU A 56 5.032 9.605 1.076 1.00 0.00 C ATOM 824 C LEU A 56 3.983 8.973 0.160 1.00 0.00 C ATOM 825 O LEU A 56 3.798 7.757 0.167 1.00 0.00 O ATOM 826 CB LEU A 56 4.466 10.108 2.405 1.00 0.00 C ATOM 827 CG LEU A 56 5.462 10.215 3.561 1.00 0.00 C ATOM 828 CD1 LEU A 56 5.084 11.357 4.507 1.00 0.00 C ATOM 829 CD2 LEU A 56 5.594 8.881 4.298 1.00 0.00 C ATOM 0 H LEU A 56 5.589 11.606 0.791 1.00 0.00 H new ATOM 0 HA LEU A 56 5.743 8.820 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.024 11.091 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.658 9.442 2.708 1.00 0.00 H new ATOM 0 HG LEU A 56 6.442 10.451 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.808 11.411 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.083 12.299 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.091 11.176 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.308 8.986 5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.623 8.590 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.945 8.116 3.605 1.00 0.00 H new ATOM 841 N GLN A 57 3.322 9.828 -0.608 1.00 0.00 N ATOM 842 CA GLN A 57 2.296 9.368 -1.528 1.00 0.00 C ATOM 843 C GLN A 57 2.889 8.380 -2.535 1.00 0.00 C ATOM 844 O GLN A 57 2.569 7.193 -2.507 1.00 0.00 O ATOM 845 CB GLN A 57 1.632 10.547 -2.242 1.00 0.00 C ATOM 846 CG GLN A 57 0.614 11.237 -1.332 1.00 0.00 C ATOM 847 CD GLN A 57 -0.139 12.336 -2.085 1.00 0.00 C ATOM 848 OE1 GLN A 57 -0.010 13.546 -1.548 1.00 0.00 O flip ATOM 849 NE2 GLN A 57 -0.793 12.101 -3.088 1.00 0.00 N flip ATOM 0 H GLN A 57 3.477 10.836 -0.612 1.00 0.00 H new ATOM 0 HA GLN A 57 1.526 8.852 -0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.392 11.264 -2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.137 10.196 -3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.095 10.502 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.124 11.666 -0.470 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.850 11.148 -3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.282 12.857 -3.567 1.00 0.00 H new ATOM 858 N HIS A 58 3.742 8.908 -3.400 1.00 0.00 N ATOM 859 CA HIS A 58 4.383 8.088 -4.414 1.00 0.00 C ATOM 860 C HIS A 58 4.925 6.809 -3.772 1.00 0.00 C ATOM 861 O HIS A 58 4.659 5.708 -4.253 1.00 0.00 O ATOM 862 CB HIS A 58 5.460 8.882 -5.155 1.00 0.00 C ATOM 863 CG HIS A 58 6.339 8.040 -6.049 1.00 0.00 C ATOM 864 ND1 HIS A 58 7.622 7.609 -5.887 1.00 0.00 N flip ATOM 865 CD2 HIS A 58 5.912 7.549 -7.271 1.00 0.00 C flip ATOM 866 CE1 HIS A 58 7.962 6.892 -6.951 1.00 0.00 C flip ATOM 867 NE2 HIS A 58 6.903 6.854 -7.811 1.00 0.00 N flip ATOM 0 H HIS A 58 4.004 9.893 -3.420 1.00 0.00 H new ATOM 0 HA HIS A 58 3.650 7.794 -5.165 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.979 9.652 -5.757 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.087 9.394 -4.425 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.938 7.706 -7.710 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.919 6.417 -7.110 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.878 6.375 -8.711 1.00 0.00 H new ATOM 875 N SER A 59 5.674 6.997 -2.696 1.00 0.00 N ATOM 876 CA SER A 59 6.256 5.872 -1.984 1.00 0.00 C ATOM 877 C SER A 59 5.239 4.733 -1.885 1.00 0.00 C ATOM 878 O SER A 59 5.581 3.571 -2.097 1.00 0.00 O ATOM 879 CB SER A 59 6.725 6.288 -0.588 1.00 0.00 C ATOM 880 OG SER A 59 7.477 5.259 0.051 1.00 0.00 O ATOM 0 H SER A 59 5.891 7.911 -2.300 1.00 0.00 H new ATOM 0 HA SER A 59 7.126 5.526 -2.542 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.334 7.189 -0.664 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.860 6.539 0.025 1.00 0.00 H new ATOM 0 HG SER A 59 7.759 5.563 0.939 1.00 0.00 H new ATOM 886 N THR A 60 4.010 5.106 -1.561 1.00 0.00 N ATOM 887 CA THR A 60 2.941 4.131 -1.431 1.00 0.00 C ATOM 888 C THR A 60 2.490 3.648 -2.811 1.00 0.00 C ATOM 889 O THR A 60 2.254 2.457 -3.009 1.00 0.00 O ATOM 890 CB THR A 60 1.817 4.767 -0.612 1.00 0.00 C ATOM 891 OG1 THR A 60 2.421 5.050 0.647 1.00 0.00 O ATOM 892 CG2 THR A 60 0.702 3.774 -0.276 1.00 0.00 C ATOM 0 H THR A 60 3.731 6.071 -1.384 1.00 0.00 H new ATOM 0 HA THR A 60 3.281 3.239 -0.904 1.00 0.00 H new ATOM 0 HB THR A 60 1.399 5.609 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.986 5.847 0.567 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.070 4.277 0.306 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.268 3.389 -1.199 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.113 2.948 0.304 1.00 0.00 H new ATOM 900 N ASN A 61 2.382 4.597 -3.729 1.00 0.00 N ATOM 901 CA ASN A 61 1.962 4.283 -5.084 1.00 0.00 C ATOM 902 C ASN A 61 2.763 3.084 -5.596 1.00 0.00 C ATOM 903 O ASN A 61 2.186 2.092 -6.041 1.00 0.00 O ATOM 904 CB ASN A 61 2.220 5.460 -6.027 1.00 0.00 C ATOM 905 CG ASN A 61 1.381 5.337 -7.300 1.00 0.00 C ATOM 906 OD1 ASN A 61 1.519 4.407 -8.078 1.00 0.00 O ATOM 907 ND2 ASN A 61 0.505 6.323 -7.469 1.00 0.00 N ATOM 0 H ASN A 61 2.578 5.584 -3.561 1.00 0.00 H new ATOM 0 HA ASN A 61 0.895 4.063 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.983 6.395 -5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.278 5.497 -6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.102 6.331 -8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.440 7.072 -6.779 1.00 0.00 H new ATOM 914 N GLN A 62 4.079 3.213 -5.516 1.00 0.00 N ATOM 915 CA GLN A 62 4.964 2.152 -5.966 1.00 0.00 C ATOM 916 C GLN A 62 4.648 0.849 -5.229 1.00 0.00 C ATOM 917 O GLN A 62 4.267 -0.142 -5.850 1.00 0.00 O ATOM 918 CB GLN A 62 6.431 2.546 -5.779 1.00 0.00 C ATOM 919 CG GLN A 62 6.730 3.883 -6.459 1.00 0.00 C ATOM 920 CD GLN A 62 7.328 3.669 -7.852 1.00 0.00 C ATOM 921 OE1 GLN A 62 6.507 3.991 -8.848 1.00 0.00 O flip ATOM 922 NE2 GLN A 62 8.458 3.240 -8.011 1.00 0.00 N flip ATOM 0 H GLN A 62 4.554 4.036 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 62 4.797 1.993 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.660 2.615 -4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.075 1.771 -6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.813 4.467 -6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.423 4.459 -5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.036 3.012 -7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.826 3.109 -8.953 1.00 0.00 H new ATOM 931 N LEU A 63 4.818 0.893 -3.916 1.00 0.00 N ATOM 932 CA LEU A 63 4.556 -0.272 -3.088 1.00 0.00 C ATOM 933 C LEU A 63 3.310 -0.991 -3.608 1.00 0.00 C ATOM 934 O LEU A 63 3.386 -2.142 -4.036 1.00 0.00 O ATOM 935 CB LEU A 63 4.465 0.128 -1.614 1.00 0.00 C ATOM 936 CG LEU A 63 5.777 0.095 -0.828 1.00 0.00 C ATOM 937 CD1 LEU A 63 5.631 0.817 0.513 1.00 0.00 C ATOM 938 CD2 LEU A 63 6.277 -1.340 -0.655 1.00 0.00 C ATOM 0 H LEU A 63 5.134 1.717 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 63 5.383 -0.979 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.055 1.136 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.753 -0.534 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 63 6.532 0.632 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.578 0.779 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.355 1.857 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.856 0.330 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.211 -1.335 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.531 -1.922 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.446 -1.787 -1.635 1.00 0.00 H new ATOM 950 N ALA A 64 2.191 -0.284 -3.554 1.00 0.00 N ATOM 951 CA ALA A 64 0.930 -0.841 -4.014 1.00 0.00 C ATOM 952 C ALA A 64 1.162 -1.606 -5.318 1.00 0.00 C ATOM 953 O ALA A 64 0.844 -2.791 -5.412 1.00 0.00 O ATOM 954 CB ALA A 64 -0.097 0.282 -4.172 1.00 0.00 C ATOM 0 H ALA A 64 2.131 0.670 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 64 0.532 -1.546 -3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.043 -0.136 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.247 0.776 -3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.266 1.007 -4.900 1.00 0.00 H new ATOM 960 N LYS A 65 1.713 -0.898 -6.293 1.00 0.00 N ATOM 961 CA LYS A 65 1.991 -1.496 -7.588 1.00 0.00 C ATOM 962 C LYS A 65 2.546 -2.907 -7.384 1.00 0.00 C ATOM 963 O LYS A 65 1.990 -3.877 -7.897 1.00 0.00 O ATOM 964 CB LYS A 65 2.906 -0.588 -8.412 1.00 0.00 C ATOM 965 CG LYS A 65 2.359 0.840 -8.463 1.00 0.00 C ATOM 966 CD LYS A 65 2.096 1.276 -9.906 1.00 0.00 C ATOM 967 CE LYS A 65 0.609 1.162 -10.250 1.00 0.00 C ATOM 968 NZ LYS A 65 0.418 0.316 -11.449 1.00 0.00 N ATOM 0 H LYS A 65 1.975 0.085 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 65 1.073 -1.595 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.906 -0.583 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.000 -0.982 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.435 0.900 -7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.070 1.522 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.427 2.305 -10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.679 0.658 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.066 0.735 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.194 2.154 -10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.596 0.249 -11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.920 0.739 -12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.796 -0.635 -11.266 1.00 0.00 H new ATOM 982 N GLU A 66 3.636 -2.977 -6.635 1.00 0.00 N ATOM 983 CA GLU A 66 4.273 -4.254 -6.357 1.00 0.00 C ATOM 984 C GLU A 66 3.332 -5.153 -5.553 1.00 0.00 C ATOM 985 O GLU A 66 3.188 -6.336 -5.857 1.00 0.00 O ATOM 986 CB GLU A 66 5.602 -4.056 -5.624 1.00 0.00 C ATOM 987 CG GLU A 66 6.549 -3.171 -6.436 1.00 0.00 C ATOM 988 CD GLU A 66 7.935 -3.810 -6.549 1.00 0.00 C ATOM 989 OE1 GLU A 66 8.086 -4.687 -7.427 1.00 0.00 O ATOM 990 OE2 GLU A 66 8.812 -3.409 -5.754 1.00 0.00 O ATOM 0 H GLU A 66 4.095 -2.170 -6.212 1.00 0.00 H new ATOM 0 HA GLU A 66 4.489 -4.744 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.420 -3.602 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.069 -5.024 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.137 -3.009 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.633 -2.193 -5.963 1.00 0.00 H new ATOM 997 N THR A 67 2.715 -4.557 -4.543 1.00 0.00 N ATOM 998 CA THR A 67 1.792 -5.289 -3.693 1.00 0.00 C ATOM 999 C THR A 67 0.809 -6.095 -4.544 1.00 0.00 C ATOM 1000 O THR A 67 0.728 -7.316 -4.416 1.00 0.00 O ATOM 1001 CB THR A 67 1.109 -4.285 -2.762 1.00 0.00 C ATOM 1002 OG1 THR A 67 2.151 -3.385 -2.398 1.00 0.00 O ATOM 1003 CG2 THR A 67 0.679 -4.915 -1.436 1.00 0.00 C ATOM 0 H THR A 67 2.836 -3.575 -4.294 1.00 0.00 H new ATOM 0 HA THR A 67 2.316 -6.020 -3.077 1.00 0.00 H new ATOM 0 HB THR A 67 0.238 -3.861 -3.261 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.866 -3.878 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.200 -4.160 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.024 -5.725 -1.629 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.554 -5.309 -0.920 1.00 0.00 H new ATOM 1011 N ASN A 68 0.087 -5.380 -5.394 1.00 0.00 N ATOM 1012 CA ASN A 68 -0.887 -6.014 -6.266 1.00 0.00 C ATOM 1013 C ASN A 68 -0.212 -7.148 -7.039 1.00 0.00 C ATOM 1014 O ASN A 68 -0.722 -8.266 -7.081 1.00 0.00 O ATOM 1015 CB ASN A 68 -1.448 -5.017 -7.282 1.00 0.00 C ATOM 1016 CG ASN A 68 -2.815 -5.471 -7.799 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -3.011 -6.608 -8.196 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -3.745 -4.522 -7.773 1.00 0.00 N ATOM 0 H ASN A 68 0.157 -4.368 -5.497 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.699 -6.392 -5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.538 -4.034 -6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.755 -4.915 -8.117 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.690 -4.725 -8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.514 -3.590 -7.428 1.00 0.00 H new ATOM 1025 N GLU A 69 0.927 -6.821 -7.633 1.00 0.00 N ATOM 1026 CA GLU A 69 1.678 -7.798 -8.403 1.00 0.00 C ATOM 1027 C GLU A 69 1.991 -9.024 -7.542 1.00 0.00 C ATOM 1028 O GLU A 69 1.759 -10.156 -7.961 1.00 0.00 O ATOM 1029 CB GLU A 69 2.959 -7.183 -8.968 1.00 0.00 C ATOM 1030 CG GLU A 69 2.705 -6.550 -10.338 1.00 0.00 C ATOM 1031 CD GLU A 69 3.369 -7.365 -11.450 1.00 0.00 C ATOM 1032 OE1 GLU A 69 4.472 -7.890 -11.188 1.00 0.00 O ATOM 1033 OE2 GLU A 69 2.757 -7.446 -12.537 1.00 0.00 O ATOM 0 H GLU A 69 1.348 -5.893 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 69 1.065 -8.117 -9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.339 -6.428 -8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.728 -7.951 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.632 -6.486 -10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.091 -5.531 -10.349 1.00 0.00 H new ATOM 1040 N LEU A 70 2.515 -8.755 -6.355 1.00 0.00 N ATOM 1041 CA LEU A 70 2.862 -9.822 -5.432 1.00 0.00 C ATOM 1042 C LEU A 70 1.636 -10.706 -5.195 1.00 0.00 C ATOM 1043 O LEU A 70 1.738 -11.931 -5.203 1.00 0.00 O ATOM 1044 CB LEU A 70 3.463 -9.246 -4.148 1.00 0.00 C ATOM 1045 CG LEU A 70 4.924 -8.800 -4.233 1.00 0.00 C ATOM 1046 CD1 LEU A 70 5.351 -8.076 -2.954 1.00 0.00 C ATOM 1047 CD2 LEU A 70 5.840 -9.983 -4.554 1.00 0.00 C ATOM 0 H LEU A 70 2.708 -7.814 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 70 3.636 -10.459 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.860 -8.392 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.378 -9.996 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 70 5.017 -8.088 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.393 -7.769 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.725 -7.196 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.239 -8.746 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.873 -9.639 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.749 -10.736 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.551 -10.418 -5.511 1.00 0.00 H new ATOM 1059 N LEU A 71 0.504 -10.049 -4.989 1.00 0.00 N ATOM 1060 CA LEU A 71 -0.741 -10.759 -4.750 1.00 0.00 C ATOM 1061 C LEU A 71 -1.008 -11.716 -5.913 1.00 0.00 C ATOM 1062 O LEU A 71 -1.427 -12.853 -5.702 1.00 0.00 O ATOM 1063 CB LEU A 71 -1.880 -9.771 -4.492 1.00 0.00 C ATOM 1064 CG LEU A 71 -1.938 -9.166 -3.088 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -2.997 -8.064 -3.009 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -2.161 -10.251 -2.032 1.00 0.00 C ATOM 0 H LEU A 71 0.423 -9.032 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.667 -11.366 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.799 -8.958 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.825 -10.278 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.974 -8.703 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.018 -7.651 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.754 -7.274 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.975 -8.481 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.198 -9.794 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.102 -10.764 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.342 -10.969 -2.069 1.00 0.00 H new ATOM 1078 N LYS A 72 -0.756 -11.220 -7.116 1.00 0.00 N ATOM 1079 CA LYS A 72 -0.964 -12.018 -8.313 1.00 0.00 C ATOM 1080 C LYS A 72 -0.116 -13.288 -8.228 1.00 0.00 C ATOM 1081 O LYS A 72 -0.600 -14.382 -8.515 1.00 0.00 O ATOM 1082 CB LYS A 72 -0.696 -11.182 -9.566 1.00 0.00 C ATOM 1083 CG LYS A 72 -1.961 -10.446 -10.015 1.00 0.00 C ATOM 1084 CD LYS A 72 -1.647 -8.998 -10.394 1.00 0.00 C ATOM 1085 CE LYS A 72 -1.359 -8.873 -11.891 1.00 0.00 C ATOM 1086 NZ LYS A 72 -0.274 -7.896 -12.131 1.00 0.00 N ATOM 0 H LYS A 72 -0.410 -10.276 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.005 -12.334 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.096 -10.461 -9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.342 -11.828 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.403 -10.961 -10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.700 -10.464 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.488 -8.358 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.786 -8.648 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.077 -9.845 -12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.261 -8.559 -12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.459 -7.383 -13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.234 -7.221 -11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.634 -8.397 -12.204 1.00 0.00 H new ATOM 1100 N GLU A 73 1.135 -13.101 -7.833 1.00 0.00 N ATOM 1101 CA GLU A 73 2.054 -14.219 -7.707 1.00 0.00 C ATOM 1102 C GLU A 73 1.514 -15.241 -6.704 1.00 0.00 C ATOM 1103 O GLU A 73 1.507 -16.440 -6.978 1.00 0.00 O ATOM 1104 CB GLU A 73 3.449 -13.739 -7.301 1.00 0.00 C ATOM 1105 CG GLU A 73 3.809 -12.435 -8.017 1.00 0.00 C ATOM 1106 CD GLU A 73 5.326 -12.249 -8.088 1.00 0.00 C ATOM 1107 OE1 GLU A 73 6.028 -13.067 -7.454 1.00 0.00 O ATOM 1108 OE2 GLU A 73 5.750 -11.294 -8.774 1.00 0.00 O ATOM 0 H GLU A 73 1.533 -12.192 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 73 2.140 -14.704 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.486 -13.588 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.186 -14.506 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.392 -12.442 -9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.360 -11.592 -7.492 1.00 0.00 H new ATOM 1115 N LEU A 74 1.073 -14.729 -5.565 1.00 0.00 N ATOM 1116 CA LEU A 74 0.532 -15.582 -4.520 1.00 0.00 C ATOM 1117 C LEU A 74 -0.386 -16.631 -5.150 1.00 0.00 C ATOM 1118 O LEU A 74 -0.062 -17.818 -5.162 1.00 0.00 O ATOM 1119 CB LEU A 74 -0.147 -14.739 -3.439 1.00 0.00 C ATOM 1120 CG LEU A 74 0.514 -14.758 -2.059 1.00 0.00 C ATOM 1121 CD1 LEU A 74 0.009 -13.603 -1.193 1.00 0.00 C ATOM 1122 CD2 LEU A 74 0.320 -16.114 -1.377 1.00 0.00 C ATOM 0 H LEU A 74 1.079 -13.734 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 74 1.333 -16.121 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.190 -13.706 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.176 -15.082 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 74 1.586 -14.615 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.495 -13.640 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.242 -12.655 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.070 -13.689 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.799 -16.101 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.745 -16.312 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.768 -16.897 -1.990 1.00 0.00 H new ATOM 1134 N GLY A 75 -1.514 -16.156 -5.658 1.00 0.00 N ATOM 1135 CA GLY A 75 -2.482 -17.038 -6.287 1.00 0.00 C ATOM 1136 C GLY A 75 -1.844 -17.820 -7.438 1.00 0.00 C ATOM 1137 O GLY A 75 -2.290 -18.916 -7.771 1.00 0.00 O ATOM 0 H GLY A 75 -1.779 -15.171 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.881 -17.733 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.323 -16.454 -6.661 1.00 0.00 H new ATOM 1141 N SER A 76 -0.809 -17.225 -8.013 1.00 0.00 N ATOM 1142 CA SER A 76 -0.105 -17.851 -9.119 1.00 0.00 C ATOM 1143 C SER A 76 0.556 -19.149 -8.650 1.00 0.00 C ATOM 1144 O SER A 76 0.561 -20.144 -9.374 1.00 0.00 O ATOM 1145 CB SER A 76 0.942 -16.906 -9.712 1.00 0.00 C ATOM 1146 OG SER A 76 1.010 -17.008 -11.131 1.00 0.00 O ATOM 0 H SER A 76 -0.441 -16.316 -7.733 1.00 0.00 H new ATOM 0 HA SER A 76 -0.830 -18.081 -9.900 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.703 -15.880 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.919 -17.133 -9.285 1.00 0.00 H new ATOM 0 HG SER A 76 1.688 -16.388 -11.471 1.00 0.00 H new ATOM 1152 N LEU A 77 1.098 -19.097 -7.443 1.00 0.00 N ATOM 1153 CA LEU A 77 1.760 -20.256 -6.869 1.00 0.00 C ATOM 1154 C LEU A 77 0.822 -21.462 -6.942 1.00 0.00 C ATOM 1155 O LEU A 77 -0.398 -21.305 -6.945 1.00 0.00 O ATOM 1156 CB LEU A 77 2.254 -19.946 -5.455 1.00 0.00 C ATOM 1157 CG LEU A 77 3.164 -18.724 -5.315 1.00 0.00 C ATOM 1158 CD1 LEU A 77 3.485 -18.444 -3.845 1.00 0.00 C ATOM 1159 CD2 LEU A 77 4.431 -18.884 -6.158 1.00 0.00 C ATOM 0 H LEU A 77 1.092 -18.270 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 77 2.651 -20.509 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.386 -19.803 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.789 -20.818 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 77 2.630 -17.855 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.133 -17.571 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.560 -18.255 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.991 -19.307 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.060 -18.002 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.979 -19.767 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.158 -18.998 -7.207 1.00 0.00 H new ATOM 1171 N PRO A 78 1.442 -22.671 -6.999 1.00 0.00 N ATOM 1172 CA PRO A 78 0.676 -23.903 -7.072 1.00 0.00 C ATOM 1173 C PRO A 78 0.059 -24.246 -5.714 1.00 0.00 C ATOM 1174 O PRO A 78 0.039 -23.413 -4.809 1.00 0.00 O ATOM 1175 CB PRO A 78 1.663 -24.952 -7.557 1.00 0.00 C ATOM 1176 CG PRO A 78 3.045 -24.378 -7.295 1.00 0.00 C ATOM 1177 CD PRO A 78 2.885 -22.896 -6.997 1.00 0.00 C ATOM 0 HA PRO A 78 -0.174 -23.830 -7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.524 -25.894 -7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.521 -25.160 -8.617 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.517 -24.888 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.690 -24.526 -8.161 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.325 -22.636 -6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.382 -22.285 -7.750 1.00 0.00 H new ATOM 1185 N LEU A 79 -0.429 -25.474 -5.614 1.00 0.00 N ATOM 1186 CA LEU A 79 -1.044 -25.937 -4.382 1.00 0.00 C ATOM 1187 C LEU A 79 -0.439 -27.287 -3.991 1.00 0.00 C ATOM 1188 O LEU A 79 -0.089 -28.088 -4.856 1.00 0.00 O ATOM 1189 CB LEU A 79 -2.568 -25.963 -4.522 1.00 0.00 C ATOM 1190 CG LEU A 79 -3.229 -24.637 -4.903 1.00 0.00 C ATOM 1191 CD1 LEU A 79 -4.238 -24.833 -6.036 1.00 0.00 C ATOM 1192 CD2 LEU A 79 -3.863 -23.969 -3.681 1.00 0.00 C ATOM 0 H LEU A 79 -0.411 -26.162 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.833 -25.245 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.831 -26.707 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.994 -26.300 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.455 -23.964 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.693 -23.875 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.728 -25.233 -6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.013 -25.530 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.326 -23.028 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.621 -24.628 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.094 -23.774 -2.933 1.00 0.00 H new ATOM 1204 N PRO A 80 -0.333 -27.502 -2.653 1.00 0.00 N ATOM 1205 CA PRO A 80 0.224 -28.741 -2.136 1.00 0.00 C ATOM 1206 C PRO A 80 -0.775 -29.892 -2.277 1.00 0.00 C ATOM 1207 O PRO A 80 -1.957 -29.664 -2.532 1.00 0.00 O ATOM 1208 CB PRO A 80 0.582 -28.439 -0.690 1.00 0.00 C ATOM 1209 CG PRO A 80 -0.209 -27.196 -0.316 1.00 0.00 C ATOM 1210 CD PRO A 80 -0.737 -26.576 -1.599 1.00 0.00 C ATOM 0 HA PRO A 80 1.104 -29.070 -2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.324 -29.276 -0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.653 -28.268 -0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.032 -27.454 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.424 -26.487 0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.820 -26.462 -1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.316 -25.584 -1.761 1.00 0.00 H new ATOM 1218 N LEU A 81 -0.264 -31.102 -2.104 1.00 0.00 N ATOM 1219 CA LEU A 81 -1.097 -32.288 -2.209 1.00 0.00 C ATOM 1220 C LEU A 81 -2.049 -32.344 -1.012 1.00 0.00 C ATOM 1221 O LEU A 81 -3.165 -32.847 -1.126 1.00 0.00 O ATOM 1222 CB LEU A 81 -0.230 -33.539 -2.365 1.00 0.00 C ATOM 1223 CG LEU A 81 0.326 -33.799 -3.766 1.00 0.00 C ATOM 1224 CD1 LEU A 81 -0.518 -34.839 -4.506 1.00 0.00 C ATOM 1225 CD2 LEU A 81 0.452 -32.496 -4.557 1.00 0.00 C ATOM 0 H LEU A 81 0.716 -31.287 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.714 -32.243 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.607 -33.465 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.819 -34.405 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 81 1.330 -34.212 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.101 -35.006 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.512 -35.776 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.542 -34.478 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.850 -32.710 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.530 -32.031 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.126 -31.817 -4.035 1.00 0.00 H new ATOM 1237 N SER A 82 -1.572 -31.822 0.108 1.00 0.00 N ATOM 1238 CA SER A 82 -2.367 -31.806 1.324 1.00 0.00 C ATOM 1239 C SER A 82 -3.286 -30.583 1.334 1.00 0.00 C ATOM 1240 O SER A 82 -2.893 -29.504 0.893 1.00 0.00 O ATOM 1241 CB SER A 82 -1.473 -31.808 2.566 1.00 0.00 C ATOM 1242 OG SER A 82 -1.578 -33.027 3.297 1.00 0.00 O ATOM 0 H SER A 82 -0.645 -31.407 0.199 1.00 0.00 H new ATOM 0 HA SER A 82 -2.976 -32.710 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.436 -31.653 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.747 -30.973 3.211 1.00 0.00 H new ATOM 0 HG SER A 82 -0.991 -32.990 4.081 1.00 0.00 H new ATOM 1248 N THR A 83 -4.492 -30.793 1.840 1.00 0.00 N ATOM 1249 CA THR A 83 -5.470 -29.721 1.912 1.00 0.00 C ATOM 1250 C THR A 83 -5.182 -28.816 3.112 1.00 0.00 C ATOM 1251 O THR A 83 -5.255 -27.593 3.003 1.00 0.00 O ATOM 1252 CB THR A 83 -6.863 -30.353 1.949 1.00 0.00 C ATOM 1253 OG1 THR A 83 -6.911 -31.154 0.771 1.00 0.00 O ATOM 1254 CG2 THR A 83 -7.978 -29.325 1.746 1.00 0.00 C ATOM 0 H THR A 83 -4.814 -31.690 2.204 1.00 0.00 H new ATOM 0 HA THR A 83 -5.413 -29.075 1.036 1.00 0.00 H new ATOM 0 HB THR A 83 -7.007 -30.860 2.903 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.781 -31.602 0.716 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.945 -29.826 1.781 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.929 -28.575 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.855 -28.841 0.777 1.00 0.00 H new ATOM 1262 N SER A 84 -4.861 -29.453 4.229 1.00 0.00 N ATOM 1263 CA SER A 84 -4.561 -28.721 5.448 1.00 0.00 C ATOM 1264 C SER A 84 -3.657 -27.528 5.133 1.00 0.00 C ATOM 1265 O SER A 84 -3.778 -26.472 5.752 1.00 0.00 O ATOM 1266 CB SER A 84 -3.900 -29.628 6.487 1.00 0.00 C ATOM 1267 OG SER A 84 -4.489 -29.481 7.776 1.00 0.00 O ATOM 0 H SER A 84 -4.802 -30.468 4.315 1.00 0.00 H new ATOM 0 HA SER A 84 -5.499 -28.357 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.983 -30.667 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.836 -29.397 6.546 1.00 0.00 H new ATOM 0 HG SER A 84 -4.040 -30.078 8.411 1.00 0.00 H new ATOM 1273 N GLU A 85 -2.770 -27.736 4.170 1.00 0.00 N ATOM 1274 CA GLU A 85 -1.845 -26.691 3.765 1.00 0.00 C ATOM 1275 C GLU A 85 -2.541 -25.699 2.831 1.00 0.00 C ATOM 1276 O GLU A 85 -2.381 -24.488 2.974 1.00 0.00 O ATOM 1277 CB GLU A 85 -0.600 -27.286 3.105 1.00 0.00 C ATOM 1278 CG GLU A 85 0.234 -28.073 4.117 1.00 0.00 C ATOM 1279 CD GLU A 85 0.564 -27.216 5.341 1.00 0.00 C ATOM 1280 OE1 GLU A 85 1.269 -26.202 5.149 1.00 0.00 O ATOM 1281 OE2 GLU A 85 0.104 -27.594 6.439 1.00 0.00 O ATOM 0 H GLU A 85 -2.673 -28.613 3.659 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.521 -26.154 4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.896 -27.941 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.004 -26.488 2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.312 -28.964 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.157 -28.413 3.647 1.00 0.00 H new ATOM 1288 N GLN A 86 -3.299 -26.250 1.894 1.00 0.00 N ATOM 1289 CA GLN A 86 -4.020 -25.429 0.936 1.00 0.00 C ATOM 1290 C GLN A 86 -4.771 -24.307 1.657 1.00 0.00 C ATOM 1291 O GLN A 86 -4.766 -23.163 1.206 1.00 0.00 O ATOM 1292 CB GLN A 86 -4.977 -26.278 0.097 1.00 0.00 C ATOM 1293 CG GLN A 86 -4.215 -27.084 -0.956 1.00 0.00 C ATOM 1294 CD GLN A 86 -5.108 -28.164 -1.572 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -6.116 -27.888 -2.201 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -4.682 -29.405 -1.355 1.00 0.00 N ATOM 0 H GLN A 86 -3.429 -27.255 1.778 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.297 -24.978 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.533 -26.955 0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.708 -25.633 -0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.853 -26.417 -1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.339 -27.547 -0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.829 -29.565 -0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.208 -30.197 -1.724 1.00 0.00 H new ATOM 1305 N ARG A 87 -5.397 -24.675 2.765 1.00 0.00 N ATOM 1306 CA ARG A 87 -6.151 -23.713 3.552 1.00 0.00 C ATOM 1307 C ARG A 87 -5.207 -22.687 4.182 1.00 0.00 C ATOM 1308 O ARG A 87 -5.278 -21.499 3.870 1.00 0.00 O ATOM 1309 CB ARG A 87 -6.946 -24.410 4.658 1.00 0.00 C ATOM 1310 CG ARG A 87 -8.380 -24.695 4.206 1.00 0.00 C ATOM 1311 CD ARG A 87 -8.585 -26.188 3.942 1.00 0.00 C ATOM 1312 NE ARG A 87 -9.642 -26.719 4.832 1.00 0.00 N ATOM 1313 CZ ARG A 87 -10.954 -26.636 4.572 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -11.378 -26.043 3.448 1.00 0.00 N ATOM 1315 NH2 ARG A 87 -11.841 -27.145 5.437 1.00 0.00 N ATOM 0 H ARG A 87 -5.398 -25.625 3.137 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.847 -23.208 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.454 -25.344 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.960 -23.784 5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.080 -24.358 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.599 -24.129 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.862 -26.347 2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.652 -26.727 4.110 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.354 -27.176 5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.702 -25.655 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.377 -25.980 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.518 -27.595 6.293 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.840 -27.082 5.240 1.00 0.00 H new ATOM 1329 N GLN A 88 -4.344 -23.183 5.057 1.00 0.00 N ATOM 1330 CA GLN A 88 -3.387 -22.323 5.733 1.00 0.00 C ATOM 1331 C GLN A 88 -2.791 -21.315 4.749 1.00 0.00 C ATOM 1332 O GLN A 88 -2.384 -20.223 5.143 1.00 0.00 O ATOM 1333 CB GLN A 88 -2.288 -23.149 6.405 1.00 0.00 C ATOM 1334 CG GLN A 88 -2.838 -23.922 7.605 1.00 0.00 C ATOM 1335 CD GLN A 88 -2.993 -23.007 8.822 1.00 0.00 C ATOM 1336 OE1 GLN A 88 -4.206 -22.478 8.950 1.00 0.00 O flip ATOM 1337 NE2 GLN A 88 -2.071 -22.796 9.593 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.288 -24.169 5.313 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.911 -21.772 6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.860 -23.846 5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.482 -22.492 6.730 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.803 -24.359 7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.169 -24.747 7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.164 -23.235 9.436 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.207 -22.181 10.395 1.00 0.00 H new ATOM 1346 N GLN A 89 -2.759 -21.716 3.486 1.00 0.00 N ATOM 1347 CA GLN A 89 -2.220 -20.861 2.443 1.00 0.00 C ATOM 1348 C GLN A 89 -3.259 -19.820 2.020 1.00 0.00 C ATOM 1349 O GLN A 89 -3.061 -18.623 2.220 1.00 0.00 O ATOM 1350 CB GLN A 89 -1.752 -21.688 1.244 1.00 0.00 C ATOM 1351 CG GLN A 89 -0.305 -22.150 1.427 1.00 0.00 C ATOM 1352 CD GLN A 89 0.442 -22.158 0.092 1.00 0.00 C ATOM 1353 OE1 GLN A 89 -0.038 -21.673 -0.920 1.00 0.00 O ATOM 1354 NE2 GLN A 89 1.640 -22.733 0.145 1.00 0.00 N ATOM 0 H GLN A 89 -3.098 -22.622 3.162 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.352 -20.337 2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.401 -22.555 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.835 -21.094 0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.205 -21.490 2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.291 -23.150 1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.982 -23.119 1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.217 -22.788 -0.694 1.00 0.00 H new ATOM 1363 N ARG A 90 -4.344 -20.315 1.442 1.00 0.00 N ATOM 1364 CA ARG A 90 -5.414 -19.443 0.989 1.00 0.00 C ATOM 1365 C ARG A 90 -5.881 -18.539 2.131 1.00 0.00 C ATOM 1366 O ARG A 90 -6.295 -17.404 1.899 1.00 0.00 O ATOM 1367 CB ARG A 90 -6.603 -20.255 0.471 1.00 0.00 C ATOM 1368 CG ARG A 90 -7.504 -20.703 1.623 1.00 0.00 C ATOM 1369 CD ARG A 90 -8.436 -21.834 1.182 1.00 0.00 C ATOM 1370 NE ARG A 90 -9.619 -21.890 2.069 1.00 0.00 N ATOM 1371 CZ ARG A 90 -10.721 -22.607 1.808 1.00 0.00 C ATOM 1372 NH1 ARG A 90 -10.797 -23.333 0.684 1.00 0.00 N ATOM 1373 NH2 ARG A 90 -11.746 -22.598 2.670 1.00 0.00 N ATOM 0 H ARG A 90 -4.505 -21.309 1.277 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.023 -18.833 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.179 -19.655 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.242 -21.127 -0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.891 -21.037 2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.094 -19.858 1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.752 -21.675 0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.905 -22.786 1.210 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.594 -21.349 2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.016 -23.340 0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.635 -23.879 0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.688 -22.045 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.584 -23.144 2.471 1.00 0.00 H new ATOM 1387 N LEU A 91 -5.799 -19.076 3.340 1.00 0.00 N ATOM 1388 CA LEU A 91 -6.209 -18.331 4.518 1.00 0.00 C ATOM 1389 C LEU A 91 -5.409 -17.029 4.597 1.00 0.00 C ATOM 1390 O LEU A 91 -5.968 -15.969 4.872 1.00 0.00 O ATOM 1391 CB LEU A 91 -6.090 -19.202 5.770 1.00 0.00 C ATOM 1392 CG LEU A 91 -7.133 -20.313 5.916 1.00 0.00 C ATOM 1393 CD1 LEU A 91 -6.861 -21.160 7.161 1.00 0.00 C ATOM 1394 CD2 LEU A 91 -8.550 -19.737 5.913 1.00 0.00 C ATOM 0 H LEU A 91 -5.455 -20.017 3.529 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.261 -18.055 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.100 -19.657 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.152 -18.556 6.645 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.052 -20.974 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.616 -21.942 7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.874 -21.616 7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.899 -20.527 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.272 -20.547 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.662 -19.041 6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.727 -19.212 4.974 1.00 0.00 H new ATOM 1406 N GLN A 92 -4.113 -17.152 4.351 1.00 0.00 N ATOM 1407 CA GLN A 92 -3.231 -15.999 4.391 1.00 0.00 C ATOM 1408 C GLN A 92 -3.557 -15.041 3.243 1.00 0.00 C ATOM 1409 O GLN A 92 -3.662 -13.833 3.448 1.00 0.00 O ATOM 1410 CB GLN A 92 -1.763 -16.429 4.347 1.00 0.00 C ATOM 1411 CG GLN A 92 -1.434 -17.377 5.501 1.00 0.00 C ATOM 1412 CD GLN A 92 -0.377 -16.770 6.425 1.00 0.00 C ATOM 1413 OE1 GLN A 92 0.568 -17.420 6.841 1.00 0.00 O ATOM 1414 NE2 GLN A 92 -0.587 -15.491 6.722 1.00 0.00 N ATOM 0 H GLN A 92 -3.653 -18.033 4.123 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.393 -15.475 5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.553 -16.920 3.397 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.121 -15.550 4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.339 -17.591 6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.074 -18.326 5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.398 -15.005 6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.063 -14.996 7.332 1.00 0.00 H new ATOM 1423 N LYS A 93 -3.707 -15.618 2.059 1.00 0.00 N ATOM 1424 CA LYS A 93 -4.019 -14.831 0.878 1.00 0.00 C ATOM 1425 C LYS A 93 -5.277 -14.001 1.141 1.00 0.00 C ATOM 1426 O LYS A 93 -5.238 -12.773 1.086 1.00 0.00 O ATOM 1427 CB LYS A 93 -4.123 -15.732 -0.354 1.00 0.00 C ATOM 1428 CG LYS A 93 -3.249 -15.205 -1.494 1.00 0.00 C ATOM 1429 CD LYS A 93 -3.445 -16.036 -2.764 1.00 0.00 C ATOM 1430 CE LYS A 93 -2.676 -17.355 -2.680 1.00 0.00 C ATOM 1431 NZ LYS A 93 -3.583 -18.500 -2.924 1.00 0.00 N ATOM 0 H LYS A 93 -3.618 -16.620 1.893 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.213 -14.129 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.817 -16.745 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.161 -15.787 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.497 -14.163 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.201 -15.232 -1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.506 -16.238 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.106 -15.468 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.869 -17.360 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.214 -17.452 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.036 -19.384 -2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.309 -18.533 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.042 -18.388 -3.850 1.00 0.00 H new ATOM 1445 N GLU A 94 -6.364 -14.705 1.421 1.00 0.00 N ATOM 1446 CA GLU A 94 -7.632 -14.049 1.693 1.00 0.00 C ATOM 1447 C GLU A 94 -7.414 -12.820 2.578 1.00 0.00 C ATOM 1448 O GLU A 94 -7.976 -11.757 2.319 1.00 0.00 O ATOM 1449 CB GLU A 94 -8.625 -15.019 2.336 1.00 0.00 C ATOM 1450 CG GLU A 94 -9.129 -16.043 1.317 1.00 0.00 C ATOM 1451 CD GLU A 94 -10.464 -15.602 0.712 1.00 0.00 C ATOM 1452 OE1 GLU A 94 -10.530 -14.433 0.276 1.00 0.00 O ATOM 1453 OE2 GLU A 94 -11.387 -16.445 0.699 1.00 0.00 O ATOM 0 H GLU A 94 -6.393 -15.724 1.465 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.059 -13.720 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.148 -15.535 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.468 -14.463 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.390 -16.168 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.247 -17.014 1.799 1.00 0.00 H new ATOM 1460 N ARG A 95 -6.597 -13.006 3.605 1.00 0.00 N ATOM 1461 CA ARG A 95 -6.299 -11.926 4.529 1.00 0.00 C ATOM 1462 C ARG A 95 -5.439 -10.863 3.844 1.00 0.00 C ATOM 1463 O ARG A 95 -5.738 -9.672 3.921 1.00 0.00 O ATOM 1464 CB ARG A 95 -5.564 -12.447 5.766 1.00 0.00 C ATOM 1465 CG ARG A 95 -4.933 -11.297 6.554 1.00 0.00 C ATOM 1466 CD ARG A 95 -5.371 -11.331 8.019 1.00 0.00 C ATOM 1467 NE ARG A 95 -4.540 -12.295 8.774 1.00 0.00 N ATOM 1468 CZ ARG A 95 -3.336 -12.008 9.287 1.00 0.00 C ATOM 1469 NH1 ARG A 95 -2.815 -10.784 9.129 1.00 0.00 N ATOM 1470 NH2 ARG A 95 -2.652 -12.946 9.958 1.00 0.00 N ATOM 0 H ARG A 95 -6.132 -13.889 3.817 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.246 -11.486 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.260 -12.991 6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -4.790 -13.153 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.847 -11.363 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.219 -10.345 6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.279 -10.337 8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.422 -11.613 8.086 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.907 -13.237 8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.335 -10.070 8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -1.898 -10.566 9.520 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.048 -13.878 10.078 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.735 -12.727 10.348 1.00 0.00 H new ATOM 1484 N LEU A 96 -4.387 -11.331 3.188 1.00 0.00 N ATOM 1485 CA LEU A 96 -3.481 -10.435 2.489 1.00 0.00 C ATOM 1486 C LEU A 96 -4.294 -9.451 1.645 1.00 0.00 C ATOM 1487 O LEU A 96 -3.987 -8.261 1.605 1.00 0.00 O ATOM 1488 CB LEU A 96 -2.454 -11.233 1.684 1.00 0.00 C ATOM 1489 CG LEU A 96 -1.346 -11.910 2.493 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -0.319 -12.572 1.572 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -0.694 -10.923 3.463 1.00 0.00 C ATOM 0 H LEU A 96 -4.142 -12.319 3.126 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.905 -9.844 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.982 -11.999 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.990 -10.564 0.960 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.797 -12.701 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.457 -13.045 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.813 -13.325 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.131 -11.817 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.090 -11.430 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.261 -10.095 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.446 -10.540 4.153 1.00 0.00 H new ATOM 1503 N MET A 97 -5.316 -9.985 0.992 1.00 0.00 N ATOM 1504 CA MET A 97 -6.175 -9.169 0.151 1.00 0.00 C ATOM 1505 C MET A 97 -6.881 -8.089 0.974 1.00 0.00 C ATOM 1506 O MET A 97 -6.735 -6.899 0.698 1.00 0.00 O ATOM 1507 CB MET A 97 -7.219 -10.058 -0.527 1.00 0.00 C ATOM 1508 CG MET A 97 -6.549 -11.170 -1.337 1.00 0.00 C ATOM 1509 SD MET A 97 -7.081 -11.091 -3.039 1.00 0.00 S ATOM 1510 CE MET A 97 -6.821 -9.355 -3.365 1.00 0.00 C ATOM 0 H MET A 97 -5.568 -10.973 1.028 1.00 0.00 H new ATOM 0 HA MET A 97 -5.557 -8.680 -0.602 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.874 -10.496 0.227 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.847 -9.454 -1.182 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.465 -11.069 -1.281 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.801 -12.142 -0.913 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.494 -9.223 -4.397 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.753 -8.812 -3.207 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.057 -8.969 -2.690 1.00 0.00 H new ATOM 1520 N ASN A 98 -7.631 -8.543 1.968 1.00 0.00 N ATOM 1521 CA ASN A 98 -8.359 -7.630 2.832 1.00 0.00 C ATOM 1522 C ASN A 98 -7.372 -6.675 3.506 1.00 0.00 C ATOM 1523 O ASN A 98 -7.445 -5.463 3.312 1.00 0.00 O ATOM 1524 CB ASN A 98 -9.107 -8.390 3.930 1.00 0.00 C ATOM 1525 CG ASN A 98 -10.619 -8.206 3.792 1.00 0.00 C ATOM 1526 OD1 ASN A 98 -11.239 -7.410 4.477 1.00 0.00 O ATOM 1527 ND2 ASN A 98 -11.176 -8.986 2.869 1.00 0.00 N ATOM 0 H ASN A 98 -7.750 -9.531 2.194 1.00 0.00 H new ATOM 0 HA ASN A 98 -9.076 -7.084 2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.860 -9.450 3.876 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.782 -8.036 4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.181 -8.939 2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.598 -9.631 2.330 1.00 0.00 H new ATOM 1534 N ASP A 99 -6.472 -7.258 4.285 1.00 0.00 N ATOM 1535 CA ASP A 99 -5.472 -6.474 4.989 1.00 0.00 C ATOM 1536 C ASP A 99 -4.974 -5.352 4.076 1.00 0.00 C ATOM 1537 O ASP A 99 -5.065 -4.176 4.425 1.00 0.00 O ATOM 1538 CB ASP A 99 -4.270 -7.336 5.378 1.00 0.00 C ATOM 1539 CG ASP A 99 -4.176 -7.683 6.865 1.00 0.00 C ATOM 1540 OD1 ASP A 99 -5.252 -7.864 7.474 1.00 0.00 O ATOM 1541 OD2 ASP A 99 -3.030 -7.759 7.359 1.00 0.00 O ATOM 0 H ASP A 99 -6.415 -8.264 4.444 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.933 -6.071 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.307 -8.263 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.359 -6.816 5.084 1.00 0.00 H new ATOM 1546 N PHE A 100 -4.458 -5.756 2.924 1.00 0.00 N ATOM 1547 CA PHE A 100 -3.945 -4.799 1.958 1.00 0.00 C ATOM 1548 C PHE A 100 -4.973 -3.701 1.675 1.00 0.00 C ATOM 1549 O PHE A 100 -4.687 -2.518 1.852 1.00 0.00 O ATOM 1550 CB PHE A 100 -3.673 -5.571 0.665 1.00 0.00 C ATOM 1551 CG PHE A 100 -3.653 -4.696 -0.590 1.00 0.00 C ATOM 1552 CD1 PHE A 100 -2.522 -4.023 -0.931 1.00 0.00 C ATOM 1553 CD2 PHE A 100 -4.766 -4.592 -1.364 1.00 0.00 C ATOM 1554 CE1 PHE A 100 -2.503 -3.211 -2.096 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -4.748 -3.780 -2.529 1.00 0.00 C ATOM 1556 CZ PHE A 100 -3.617 -3.107 -2.870 1.00 0.00 C ATOM 0 H PHE A 100 -4.384 -6.732 2.638 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.044 -4.325 2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.715 -6.082 0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -4.435 -6.341 0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.638 -4.106 -0.316 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.664 -5.127 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.605 -2.676 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.632 -3.697 -3.144 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.603 -2.489 -3.756 1.00 0.00 H new ATOM 1566 N SER A 101 -6.147 -4.132 1.239 1.00 0.00 N ATOM 1567 CA SER A 101 -7.219 -3.201 0.931 1.00 0.00 C ATOM 1568 C SER A 101 -7.313 -2.131 2.021 1.00 0.00 C ATOM 1569 O SER A 101 -6.998 -0.966 1.782 1.00 0.00 O ATOM 1570 CB SER A 101 -8.556 -3.928 0.784 1.00 0.00 C ATOM 1571 OG SER A 101 -8.458 -5.303 1.144 1.00 0.00 O ATOM 0 H SER A 101 -6.380 -5.114 1.092 1.00 0.00 H new ATOM 0 HA SER A 101 -6.991 -2.722 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.304 -3.442 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.902 -3.847 -0.247 1.00 0.00 H new ATOM 0 HG SER A 101 -7.979 -5.792 0.442 1.00 0.00 H new ATOM 1577 N ALA A 102 -7.748 -2.565 3.194 1.00 0.00 N ATOM 1578 CA ALA A 102 -7.888 -1.659 4.322 1.00 0.00 C ATOM 1579 C ALA A 102 -6.745 -0.643 4.299 1.00 0.00 C ATOM 1580 O ALA A 102 -6.946 0.530 4.610 1.00 0.00 O ATOM 1581 CB ALA A 102 -7.926 -2.465 5.622 1.00 0.00 C ATOM 0 H ALA A 102 -8.008 -3.532 3.388 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.824 -1.104 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.031 -1.786 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.773 -3.151 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.001 -3.033 5.725 1.00 0.00 H new ATOM 1587 N ALA A 103 -5.570 -1.130 3.927 1.00 0.00 N ATOM 1588 CA ALA A 103 -4.394 -0.279 3.860 1.00 0.00 C ATOM 1589 C ALA A 103 -4.457 0.570 2.588 1.00 0.00 C ATOM 1590 O ALA A 103 -4.292 1.787 2.641 1.00 0.00 O ATOM 1591 CB ALA A 103 -3.134 -1.143 3.923 1.00 0.00 C ATOM 0 H ALA A 103 -5.407 -2.103 3.669 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.364 0.402 4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.252 -0.504 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.123 -1.703 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.127 -1.838 3.083 1.00 0.00 H new ATOM 1597 N LEU A 104 -4.695 -0.107 1.474 1.00 0.00 N ATOM 1598 CA LEU A 104 -4.782 0.569 0.191 1.00 0.00 C ATOM 1599 C LEU A 104 -5.940 1.568 0.223 1.00 0.00 C ATOM 1600 O LEU A 104 -5.746 2.757 -0.022 1.00 0.00 O ATOM 1601 CB LEU A 104 -4.880 -0.450 -0.946 1.00 0.00 C ATOM 1602 CG LEU A 104 -5.467 0.067 -2.261 1.00 0.00 C ATOM 1603 CD1 LEU A 104 -6.997 0.048 -2.223 1.00 0.00 C ATOM 1604 CD2 LEU A 104 -4.919 1.455 -2.598 1.00 0.00 C ATOM 0 H LEU A 104 -4.830 -1.117 1.434 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.874 1.140 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.882 -0.840 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.487 -1.288 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.156 -0.604 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.389 0.420 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.344 -0.973 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.349 0.683 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.352 1.799 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.179 2.152 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.835 1.404 -2.696 1.00 0.00 H new ATOM 1616 N ASN A 105 -7.120 1.048 0.527 1.00 0.00 N ATOM 1617 CA ASN A 105 -8.310 1.879 0.594 1.00 0.00 C ATOM 1618 C ASN A 105 -7.992 3.153 1.380 1.00 0.00 C ATOM 1619 O ASN A 105 -8.373 4.249 0.971 1.00 0.00 O ATOM 1620 CB ASN A 105 -9.449 1.153 1.312 1.00 0.00 C ATOM 1621 CG ASN A 105 -10.745 1.231 0.502 1.00 0.00 C ATOM 1622 OD1 ASN A 105 -10.956 2.130 -0.295 1.00 0.00 O ATOM 1623 ND2 ASN A 105 -11.598 0.240 0.749 1.00 0.00 N ATOM 0 H ASN A 105 -7.277 0.061 0.730 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.617 2.112 -0.426 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.177 0.109 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.604 1.595 2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.491 0.202 0.258 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -11.359 -0.481 1.429 1.00 0.00 H new ATOM 1630 N ASN A 106 -7.298 2.967 2.492 1.00 0.00 N ATOM 1631 CA ASN A 106 -6.925 4.088 3.338 1.00 0.00 C ATOM 1632 C ASN A 106 -6.215 5.146 2.492 1.00 0.00 C ATOM 1633 O ASN A 106 -6.602 6.314 2.500 1.00 0.00 O ATOM 1634 CB ASN A 106 -5.966 3.647 4.446 1.00 0.00 C ATOM 1635 CG ASN A 106 -6.636 3.734 5.819 1.00 0.00 C ATOM 1636 OD1 ASN A 106 -7.548 4.512 6.045 1.00 0.00 O ATOM 1637 ND2 ASN A 106 -6.135 2.894 6.719 1.00 0.00 N ATOM 0 H ASN A 106 -6.984 2.056 2.827 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.834 4.489 3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.638 2.624 4.262 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.075 4.275 4.432 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.515 2.875 7.665 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.371 2.269 6.463 1.00 0.00 H new ATOM 1644 N PHE A 107 -5.190 4.700 1.782 1.00 0.00 N ATOM 1645 CA PHE A 107 -4.423 5.594 0.931 1.00 0.00 C ATOM 1646 C PHE A 107 -5.324 6.280 -0.097 1.00 0.00 C ATOM 1647 O PHE A 107 -5.162 7.467 -0.377 1.00 0.00 O ATOM 1648 CB PHE A 107 -3.391 4.737 0.196 1.00 0.00 C ATOM 1649 CG PHE A 107 -2.415 5.540 -0.666 1.00 0.00 C ATOM 1650 CD1 PHE A 107 -1.966 6.750 -0.237 1.00 0.00 C ATOM 1651 CD2 PHE A 107 -1.996 5.044 -1.861 1.00 0.00 C ATOM 1652 CE1 PHE A 107 -1.060 7.496 -1.037 1.00 0.00 C ATOM 1653 CE2 PHE A 107 -1.090 5.789 -2.661 1.00 0.00 C ATOM 1654 CZ PHE A 107 -0.641 7.000 -2.232 1.00 0.00 C ATOM 0 H PHE A 107 -4.872 3.731 1.778 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.952 6.369 1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.824 4.162 0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.914 4.020 -0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.298 7.144 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.353 4.083 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.704 8.457 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.757 5.395 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.048 7.567 -2.840 1.00 0.00 H new ATOM 1664 N GLN A 108 -6.254 5.503 -0.633 1.00 0.00 N ATOM 1665 CA GLN A 108 -7.181 6.021 -1.625 1.00 0.00 C ATOM 1666 C GLN A 108 -7.990 7.181 -1.041 1.00 0.00 C ATOM 1667 O GLN A 108 -7.942 8.297 -1.556 1.00 0.00 O ATOM 1668 CB GLN A 108 -8.104 4.916 -2.143 1.00 0.00 C ATOM 1669 CG GLN A 108 -7.321 3.888 -2.962 1.00 0.00 C ATOM 1670 CD GLN A 108 -7.855 3.806 -4.394 1.00 0.00 C ATOM 1671 OE1 GLN A 108 -8.833 4.439 -4.756 1.00 0.00 O ATOM 1672 NE2 GLN A 108 -7.161 2.993 -5.185 1.00 0.00 N ATOM 0 H GLN A 108 -6.385 4.519 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 108 -6.605 6.395 -2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.592 4.422 -1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.891 5.353 -2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.265 4.159 -2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.392 2.909 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.352 2.493 -4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.438 2.870 -6.159 1.00 0.00 H new ATOM 1681 N ALA A 109 -8.714 6.878 0.026 1.00 0.00 N ATOM 1682 CA ALA A 109 -9.532 7.881 0.686 1.00 0.00 C ATOM 1683 C ALA A 109 -8.659 9.082 1.056 1.00 0.00 C ATOM 1684 O ALA A 109 -9.165 10.188 1.243 1.00 0.00 O ATOM 1685 CB ALA A 109 -10.218 7.261 1.905 1.00 0.00 C ATOM 0 H ALA A 109 -8.751 5.951 0.450 1.00 0.00 H new ATOM 0 HA ALA A 109 -10.316 8.237 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.831 8.014 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.849 6.432 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.463 6.895 2.600 1.00 0.00 H new ATOM 1691 N VAL A 110 -7.363 8.824 1.150 1.00 0.00 N ATOM 1692 CA VAL A 110 -6.415 9.870 1.495 1.00 0.00 C ATOM 1693 C VAL A 110 -5.978 10.595 0.221 1.00 0.00 C ATOM 1694 O VAL A 110 -5.739 11.802 0.240 1.00 0.00 O ATOM 1695 CB VAL A 110 -5.242 9.276 2.277 1.00 0.00 C ATOM 1696 CG1 VAL A 110 -4.092 10.279 2.387 1.00 0.00 C ATOM 1697 CG2 VAL A 110 -5.690 8.801 3.661 1.00 0.00 C ATOM 0 H VAL A 110 -6.947 7.906 0.993 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.881 10.609 2.147 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.878 8.408 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.271 9.831 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.746 10.547 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.438 11.174 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.837 8.383 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.093 9.644 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.460 8.037 3.552 1.00 0.00 H new ATOM 1707 N GLN A 111 -5.885 9.829 -0.856 1.00 0.00 N ATOM 1708 CA GLN A 111 -5.481 10.384 -2.137 1.00 0.00 C ATOM 1709 C GLN A 111 -6.496 11.428 -2.608 1.00 0.00 C ATOM 1710 O GLN A 111 -6.121 12.446 -3.187 1.00 0.00 O ATOM 1711 CB GLN A 111 -5.305 9.281 -3.182 1.00 0.00 C ATOM 1712 CG GLN A 111 -6.527 9.193 -4.099 1.00 0.00 C ATOM 1713 CD GLN A 111 -6.439 7.971 -5.014 1.00 0.00 C ATOM 1714 OE1 GLN A 111 -6.303 6.841 -4.573 1.00 0.00 O ATOM 1715 NE2 GLN A 111 -6.525 8.258 -6.310 1.00 0.00 N ATOM 0 H GLN A 111 -6.082 8.828 -0.868 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.516 10.875 -2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -4.413 9.478 -3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.151 8.324 -2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -7.434 9.137 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -6.600 10.098 -4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -6.638 9.226 -6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -6.478 7.510 -7.002 1.00 0.00 H new ATOM 1724 N ARG A 112 -7.761 11.139 -2.341 1.00 0.00 N ATOM 1725 CA ARG A 112 -8.833 12.039 -2.730 1.00 0.00 C ATOM 1726 C ARG A 112 -8.779 13.320 -1.895 1.00 0.00 C ATOM 1727 O ARG A 112 -8.776 14.422 -2.441 1.00 0.00 O ATOM 1728 CB ARG A 112 -10.201 11.378 -2.549 1.00 0.00 C ATOM 1729 CG ARG A 112 -11.328 12.330 -2.957 1.00 0.00 C ATOM 1730 CD ARG A 112 -11.848 13.113 -1.749 1.00 0.00 C ATOM 1731 NE ARG A 112 -12.464 14.382 -2.197 1.00 0.00 N ATOM 1732 CZ ARG A 112 -13.636 14.462 -2.841 1.00 0.00 C ATOM 1733 NH1 ARG A 112 -14.326 13.347 -3.117 1.00 0.00 N ATOM 1734 NH2 ARG A 112 -14.118 15.657 -3.209 1.00 0.00 N ATOM 0 H ARG A 112 -8.068 10.294 -1.860 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.696 12.281 -3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.252 10.470 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.330 11.080 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.966 13.023 -3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -12.143 11.763 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.580 12.516 -1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.030 13.320 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.965 15.250 -2.003 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.959 12.438 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.218 13.408 -3.607 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -13.593 16.506 -2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.010 15.718 -3.699 1.00 0.00 H new ATOM 1748 N ARG A 113 -8.737 13.133 -0.584 1.00 0.00 N ATOM 1749 CA ARG A 113 -8.684 14.260 0.332 1.00 0.00 C ATOM 1750 C ARG A 113 -7.499 15.166 -0.010 1.00 0.00 C ATOM 1751 O ARG A 113 -7.622 16.389 0.013 1.00 0.00 O ATOM 1752 CB ARG A 113 -8.553 13.786 1.781 1.00 0.00 C ATOM 1753 CG ARG A 113 -9.863 13.990 2.545 1.00 0.00 C ATOM 1754 CD ARG A 113 -9.715 15.083 3.605 1.00 0.00 C ATOM 1755 NE ARG A 113 -10.167 14.576 4.921 1.00 0.00 N ATOM 1756 CZ ARG A 113 -9.426 13.796 5.720 1.00 0.00 C ATOM 1757 NH1 ARG A 113 -8.194 13.429 5.343 1.00 0.00 N ATOM 1758 NH2 ARG A 113 -9.918 13.384 6.896 1.00 0.00 N ATOM 0 H ARG A 113 -8.739 12.218 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.615 14.817 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.278 12.731 1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.750 14.333 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.656 14.260 1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.160 13.055 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.675 15.403 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.301 15.957 3.322 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.100 14.837 5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.820 13.743 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.630 12.835 5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.856 13.664 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.355 12.790 7.505 1.00 0.00 H new ATOM 1772 N VAL A 114 -6.379 14.529 -0.319 1.00 0.00 N ATOM 1773 CA VAL A 114 -5.173 15.263 -0.665 1.00 0.00 C ATOM 1774 C VAL A 114 -5.452 16.151 -1.879 1.00 0.00 C ATOM 1775 O VAL A 114 -5.036 17.308 -1.915 1.00 0.00 O ATOM 1776 CB VAL A 114 -4.015 14.288 -0.891 1.00 0.00 C ATOM 1777 CG1 VAL A 114 -2.787 15.015 -1.444 1.00 0.00 C ATOM 1778 CG2 VAL A 114 -3.673 13.535 0.396 1.00 0.00 C ATOM 0 H VAL A 114 -6.281 13.514 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 114 -4.875 15.917 0.154 1.00 0.00 H new ATOM 0 HB VAL A 114 -4.333 13.555 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -1.978 14.300 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -3.040 15.484 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -2.467 15.779 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.847 12.849 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.384 14.248 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.544 12.971 0.730 1.00 0.00 H new ATOM 1788 N SER A 115 -6.155 15.576 -2.844 1.00 0.00 N ATOM 1789 CA SER A 115 -6.495 16.301 -4.056 1.00 0.00 C ATOM 1790 C SER A 115 -7.288 17.562 -3.707 1.00 0.00 C ATOM 1791 O SER A 115 -6.915 18.665 -4.105 1.00 0.00 O ATOM 1792 CB SER A 115 -7.294 15.421 -5.019 1.00 0.00 C ATOM 1793 OG SER A 115 -6.471 14.457 -5.669 1.00 0.00 O ATOM 0 H SER A 115 -6.498 14.616 -2.811 1.00 0.00 H new ATOM 0 HA SER A 115 -5.569 16.588 -4.553 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.086 14.911 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.777 16.049 -5.768 1.00 0.00 H new ATOM 0 HG SER A 115 -6.251 13.738 -5.041 1.00 0.00 H new ATOM 1799 N GLU A 116 -8.367 17.357 -2.967 1.00 0.00 N ATOM 1800 CA GLU A 116 -9.216 18.464 -2.559 1.00 0.00 C ATOM 1801 C GLU A 116 -8.373 19.578 -1.936 1.00 0.00 C ATOM 1802 O GLU A 116 -8.598 20.757 -2.206 1.00 0.00 O ATOM 1803 CB GLU A 116 -10.304 17.993 -1.592 1.00 0.00 C ATOM 1804 CG GLU A 116 -11.629 18.705 -1.869 1.00 0.00 C ATOM 1805 CD GLU A 116 -11.875 19.822 -0.852 1.00 0.00 C ATOM 1806 OE1 GLU A 116 -12.441 19.503 0.216 1.00 0.00 O ATOM 1807 OE2 GLU A 116 -11.491 20.969 -1.166 1.00 0.00 O ATOM 0 H GLU A 116 -8.673 16.441 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.711 18.862 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.439 16.916 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.991 18.185 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.618 19.121 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.447 17.986 -1.830 1.00 0.00 H new ATOM 1814 N LYS A 117 -7.419 19.166 -1.114 1.00 0.00 N ATOM 1815 CA LYS A 117 -6.541 20.114 -0.451 1.00 0.00 C ATOM 1816 C LYS A 117 -5.786 20.928 -1.504 1.00 0.00 C ATOM 1817 O LYS A 117 -5.805 22.157 -1.475 1.00 0.00 O ATOM 1818 CB LYS A 117 -5.626 19.394 0.542 1.00 0.00 C ATOM 1819 CG LYS A 117 -6.376 19.049 1.829 1.00 0.00 C ATOM 1820 CD LYS A 117 -6.206 20.153 2.875 1.00 0.00 C ATOM 1821 CE LYS A 117 -7.459 21.028 2.958 1.00 0.00 C ATOM 1822 NZ LYS A 117 -7.106 22.399 3.388 1.00 0.00 N ATOM 0 H LYS A 117 -7.235 18.188 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.123 20.820 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -5.237 18.482 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.768 20.025 0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -7.435 18.910 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -6.006 18.105 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.004 19.708 3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.344 20.770 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.952 21.061 1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -8.169 20.591 3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.967 22.979 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.656 22.364 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.446 22.819 2.703 1.00 0.00 H new ATOM 1836 N GLU A 118 -5.140 20.208 -2.410 1.00 0.00 N ATOM 1837 CA GLU A 118 -4.381 20.848 -3.471 1.00 0.00 C ATOM 1838 C GLU A 118 -5.317 21.624 -4.400 1.00 0.00 C ATOM 1839 O GLU A 118 -4.863 22.415 -5.225 1.00 0.00 O ATOM 1840 CB GLU A 118 -3.560 19.821 -4.253 1.00 0.00 C ATOM 1841 CG GLU A 118 -2.245 19.510 -3.535 1.00 0.00 C ATOM 1842 CD GLU A 118 -1.119 20.419 -4.034 1.00 0.00 C ATOM 1843 OE1 GLU A 118 -1.122 21.600 -3.626 1.00 0.00 O ATOM 1844 OE2 GLU A 118 -0.282 19.911 -4.811 1.00 0.00 O ATOM 0 H GLU A 118 -5.127 19.188 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 118 -3.684 21.553 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.138 18.905 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.352 20.202 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.374 19.641 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.975 18.467 -3.699 1.00 0.00 H new