USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 554 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.24) USER MOD Set 2.1: A 28 MET CE :methyl -177:sc= 0 (180deg=-0.00774) USER MOD Set 2.2: A 75 HIS : no HE2:sc= 0.17 K(o=0.17,f=-0.83) USER MOD Set 3.1: A 14 MET CE :methyl 156:sc= -0.0605 (180deg=-1.17) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -0.0135 X(o=-0.074,f=-0.037) USER MOD Single : A 7 THR OG1 : rot -34:sc= 0.365 USER MOD Single : A 8 ASN : amide:sc= 0.17 K(o=0.17,f=-4.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 13 HIS : no HE2:sc= 0.984 K(o=0.98,f=-3.1!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.572 USER MOD Single : A 33 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.2) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.0221 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 6.862 10.996 -1.843 1.00 0.00 N ATOM 102 CA THR A 7 6.618 11.112 -3.269 1.00 0.00 C ATOM 103 C THR A 7 5.985 9.854 -3.866 1.00 0.00 C ATOM 104 O THR A 7 6.150 8.739 -3.363 1.00 0.00 O ATOM 105 CB THR A 7 7.957 11.460 -3.961 1.00 0.00 C ATOM 106 OG1 THR A 7 9.002 10.637 -3.456 1.00 0.00 O ATOM 107 CG2 THR A 7 8.390 12.919 -3.747 1.00 0.00 C ATOM 0 HA THR A 7 5.891 11.906 -3.439 1.00 0.00 H new ATOM 0 HB THR A 7 7.787 11.295 -5.025 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.842 10.450 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.336 13.096 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.629 13.587 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.512 13.110 -2.681 1.00 0.00 H new ATOM 115 N ASN A 8 5.253 10.063 -4.959 1.00 0.00 N ATOM 116 CA ASN A 8 4.729 9.036 -5.863 1.00 0.00 C ATOM 117 C ASN A 8 5.392 9.358 -7.188 1.00 0.00 C ATOM 118 O ASN A 8 5.356 10.521 -7.602 1.00 0.00 O ATOM 119 CB ASN A 8 3.203 9.111 -6.026 1.00 0.00 C ATOM 120 CG ASN A 8 2.410 8.982 -4.735 1.00 0.00 C ATOM 121 OD1 ASN A 8 1.892 9.977 -4.244 1.00 0.00 O ATOM 122 ND2 ASN A 8 2.286 7.801 -4.160 1.00 0.00 N ATOM 0 H ASN A 8 4.995 11.004 -5.255 1.00 0.00 H new ATOM 0 HA ASN A 8 4.935 8.035 -5.485 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.950 10.061 -6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.887 8.323 -6.709 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.753 7.708 -3.295 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.723 6.981 -4.580 1.00 0.00 H new ATOM 129 N THR A 9 6.003 8.369 -7.833 1.00 0.00 N ATOM 130 CA THR A 9 6.604 8.543 -9.147 1.00 0.00 C ATOM 131 C THR A 9 5.795 7.725 -10.149 1.00 0.00 C ATOM 132 O THR A 9 5.325 6.636 -9.825 1.00 0.00 O ATOM 133 CB THR A 9 8.103 8.183 -9.123 1.00 0.00 C ATOM 134 OG1 THR A 9 8.786 8.981 -8.172 1.00 0.00 O ATOM 135 CG2 THR A 9 8.788 8.304 -10.498 1.00 0.00 C ATOM 0 H THR A 9 6.094 7.425 -7.458 1.00 0.00 H new ATOM 0 HA THR A 9 6.570 9.588 -9.455 1.00 0.00 H new ATOM 0 HB THR A 9 8.158 7.132 -8.839 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.736 8.741 -8.166 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.840 8.036 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.303 7.632 -11.206 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.706 9.330 -10.857 1.00 0.00 H new ATOM 143 N TRP A 10 5.673 8.229 -11.371 1.00 0.00 N ATOM 144 CA TRP A 10 5.091 7.543 -12.511 1.00 0.00 C ATOM 145 C TRP A 10 6.011 7.746 -13.700 1.00 0.00 C ATOM 146 O TRP A 10 6.831 8.663 -13.717 1.00 0.00 O ATOM 147 CB TRP A 10 3.688 8.099 -12.791 1.00 0.00 C ATOM 148 CG TRP A 10 2.700 7.921 -11.687 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.909 6.845 -11.541 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.343 8.821 -10.599 1.00 0.00 C ATOM 151 NE1 TRP A 10 1.112 6.989 -10.425 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.310 8.216 -9.825 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.759 10.110 -10.217 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.703 8.869 -8.743 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.134 10.789 -9.155 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.102 10.177 -8.421 1.00 0.00 C ATOM 0 H TRP A 10 5.993 9.170 -11.601 1.00 0.00 H new ATOM 0 HA TRP A 10 4.988 6.476 -12.311 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.774 9.163 -13.011 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.297 7.618 -13.688 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.899 5.991 -12.202 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.461 6.281 -10.087 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.571 10.585 -10.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.062 8.373 -8.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.450 11.790 -8.901 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.619 10.709 -7.615 1.00 0.00 H new ATOM 167 N VAL A 11 5.848 6.895 -14.701 1.00 0.00 N ATOM 168 CA VAL A 11 6.489 7.014 -15.991 1.00 0.00 C ATOM 169 C VAL A 11 5.389 7.123 -17.042 1.00 0.00 C ATOM 170 O VAL A 11 4.394 6.401 -16.964 1.00 0.00 O ATOM 171 CB VAL A 11 7.444 5.850 -16.240 1.00 0.00 C ATOM 172 CG1 VAL A 11 8.270 6.069 -17.524 1.00 0.00 C ATOM 173 CG2 VAL A 11 8.374 5.603 -15.043 1.00 0.00 C ATOM 0 H VAL A 11 5.244 6.076 -14.630 1.00 0.00 H new ATOM 0 HA VAL A 11 7.111 7.908 -16.038 1.00 0.00 H new ATOM 0 HB VAL A 11 6.828 4.961 -16.372 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.941 5.223 -17.674 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.599 6.156 -18.378 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.855 6.984 -17.429 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.036 4.766 -15.264 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.969 6.497 -14.854 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.778 5.371 -14.161 1.00 0.00 H new ATOM 183 N LEU A 12 5.565 8.013 -18.018 1.00 0.00 N ATOM 184 CA LEU A 12 4.664 8.166 -19.147 1.00 0.00 C ATOM 185 C LEU A 12 5.448 7.948 -20.420 1.00 0.00 C ATOM 186 O LEU A 12 6.315 8.757 -20.749 1.00 0.00 O ATOM 187 CB LEU A 12 4.046 9.575 -19.171 1.00 0.00 C ATOM 188 CG LEU A 12 3.146 9.911 -17.983 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.628 11.341 -18.159 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.986 8.916 -17.909 1.00 0.00 C ATOM 0 H LEU A 12 6.355 8.658 -18.041 1.00 0.00 H new ATOM 0 HA LEU A 12 3.858 7.438 -19.059 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.852 10.307 -19.214 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.467 9.685 -20.088 1.00 0.00 H new ATOM 0 HG LEU A 12 3.706 9.841 -17.051 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.983 11.600 -17.320 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.471 12.031 -18.195 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.061 11.411 -19.088 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.349 9.162 -17.059 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.402 8.969 -18.828 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.379 7.907 -17.787 1.00 0.00 H new ATOM 202 N HIS A 13 5.141 6.872 -21.136 1.00 0.00 N ATOM 203 CA HIS A 13 5.658 6.697 -22.474 1.00 0.00 C ATOM 204 C HIS A 13 4.753 7.538 -23.378 1.00 0.00 C ATOM 205 O HIS A 13 3.533 7.352 -23.383 1.00 0.00 O ATOM 206 CB HIS A 13 5.703 5.217 -22.872 1.00 0.00 C ATOM 207 CG HIS A 13 6.282 4.959 -24.247 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.134 5.772 -24.969 1.00 0.00 N ATOM 209 CD2 HIS A 13 6.030 3.860 -25.025 1.00 0.00 C ATOM 210 CE1 HIS A 13 7.371 5.184 -26.154 1.00 0.00 C ATOM 211 NE2 HIS A 13 6.726 4.006 -26.234 1.00 0.00 N ATOM 0 H HIS A 13 4.540 6.116 -20.808 1.00 0.00 H new ATOM 0 HA HIS A 13 6.693 7.029 -22.559 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.292 4.672 -22.134 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.692 4.812 -22.834 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.517 6.664 -24.657 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.403 3.024 -24.754 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.993 5.599 -26.933 1.00 0.00 H new ATOM 219 N MET A 14 5.343 8.481 -24.103 1.00 0.00 N ATOM 220 CA MET A 14 4.703 9.342 -25.078 1.00 0.00 C ATOM 221 C MET A 14 5.530 9.301 -26.362 1.00 0.00 C ATOM 222 O MET A 14 6.441 8.482 -26.462 1.00 0.00 O ATOM 223 CB MET A 14 4.512 10.743 -24.473 1.00 0.00 C ATOM 224 CG MET A 14 3.372 10.801 -23.465 1.00 0.00 C ATOM 225 SD MET A 14 3.110 12.476 -22.825 1.00 0.00 S ATOM 226 CE MET A 14 1.691 12.100 -21.788 1.00 0.00 C ATOM 0 H MET A 14 6.341 8.673 -24.017 1.00 0.00 H new ATOM 0 HA MET A 14 3.701 9.003 -25.341 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.437 11.053 -23.987 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.319 11.456 -25.274 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.455 10.446 -23.935 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.587 10.127 -22.636 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.616 12.841 -20.992 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.783 12.122 -22.391 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.812 11.109 -21.351 1.00 0.00 H new ATOM 236 N ASP A 15 5.185 10.129 -27.352 1.00 0.00 N ATOM 237 CA ASP A 15 5.706 10.086 -28.720 1.00 0.00 C ATOM 238 C ASP A 15 7.241 10.056 -28.787 1.00 0.00 C ATOM 239 O ASP A 15 7.915 11.092 -28.830 1.00 0.00 O ATOM 240 CB ASP A 15 5.140 11.257 -29.534 1.00 0.00 C ATOM 241 CG ASP A 15 5.706 11.271 -30.970 1.00 0.00 C ATOM 242 OD1 ASP A 15 5.772 10.196 -31.615 1.00 0.00 O ATOM 243 OD2 ASP A 15 6.039 12.369 -31.479 1.00 0.00 O ATOM 0 H ASP A 15 4.507 10.879 -27.216 1.00 0.00 H new ATOM 0 HA ASP A 15 5.372 9.145 -29.158 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.053 11.185 -29.571 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.380 12.197 -29.037 1.00 0.00 H new ATOM 248 N GLY A 16 7.780 8.835 -28.792 1.00 0.00 N ATOM 249 CA GLY A 16 9.205 8.546 -28.887 1.00 0.00 C ATOM 250 C GLY A 16 9.994 8.861 -27.612 1.00 0.00 C ATOM 251 O GLY A 16 11.225 8.901 -27.680 1.00 0.00 O ATOM 0 H GLY A 16 7.211 7.991 -28.727 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.335 7.492 -29.131 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.627 9.119 -29.713 1.00 0.00 H new ATOM 255 N GLU A 17 9.334 9.102 -26.472 1.00 0.00 N ATOM 256 CA GLU A 17 9.957 9.534 -25.226 1.00 0.00 C ATOM 257 C GLU A 17 9.322 8.835 -24.020 1.00 0.00 C ATOM 258 O GLU A 17 8.223 8.281 -24.101 1.00 0.00 O ATOM 259 CB GLU A 17 9.902 11.073 -25.087 1.00 0.00 C ATOM 260 CG GLU A 17 10.924 11.755 -26.008 1.00 0.00 C ATOM 261 CD GLU A 17 11.021 13.272 -25.764 1.00 0.00 C ATOM 262 OE1 GLU A 17 10.251 14.050 -26.379 1.00 0.00 O ATOM 263 OE2 GLU A 17 11.912 13.704 -24.989 1.00 0.00 O ATOM 0 H GLU A 17 8.322 8.997 -26.395 1.00 0.00 H new ATOM 0 HA GLU A 17 11.007 9.243 -25.253 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.900 11.426 -25.329 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.098 11.354 -24.052 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.904 11.303 -25.855 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.648 11.575 -27.047 1.00 0.00 H new ATOM 270 N ASN A 18 10.026 8.861 -22.887 1.00 0.00 N ATOM 271 CA ASN A 18 9.560 8.395 -21.588 1.00 0.00 C ATOM 272 C ASN A 18 9.811 9.520 -20.598 1.00 0.00 C ATOM 273 O ASN A 18 10.957 9.929 -20.409 1.00 0.00 O ATOM 274 CB ASN A 18 10.261 7.099 -21.156 1.00 0.00 C ATOM 275 CG ASN A 18 9.541 5.867 -21.693 1.00 0.00 C ATOM 276 OD1 ASN A 18 8.669 5.317 -21.029 1.00 0.00 O ATOM 277 ND2 ASN A 18 9.867 5.420 -22.897 1.00 0.00 N ATOM 0 H ASN A 18 10.978 9.224 -22.853 1.00 0.00 H new ATOM 0 HA ASN A 18 8.499 8.151 -21.634 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.291 7.105 -21.514 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.302 7.052 -20.068 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.390 4.606 -23.285 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.595 5.890 -23.436 1.00 0.00 H new ATOM 284 N PHE A 19 8.743 10.013 -19.973 1.00 0.00 N ATOM 285 CA PHE A 19 8.788 11.134 -19.040 1.00 0.00 C ATOM 286 C PHE A 19 8.568 10.618 -17.625 1.00 0.00 C ATOM 287 O PHE A 19 7.621 9.868 -17.395 1.00 0.00 O ATOM 288 CB PHE A 19 7.717 12.175 -19.419 1.00 0.00 C ATOM 289 CG PHE A 19 7.802 12.706 -20.841 1.00 0.00 C ATOM 290 CD1 PHE A 19 9.016 13.236 -21.327 1.00 0.00 C ATOM 291 CD2 PHE A 19 6.663 12.703 -21.673 1.00 0.00 C ATOM 292 CE1 PHE A 19 9.094 13.748 -22.632 1.00 0.00 C ATOM 293 CE2 PHE A 19 6.742 13.244 -22.970 1.00 0.00 C ATOM 294 CZ PHE A 19 7.957 13.751 -23.455 1.00 0.00 C ATOM 0 H PHE A 19 7.804 9.636 -20.105 1.00 0.00 H new ATOM 0 HA PHE A 19 9.764 11.618 -19.090 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.733 11.729 -19.273 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.791 13.016 -18.730 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.890 13.248 -20.692 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.733 12.287 -21.316 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.030 14.140 -23.003 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.862 13.269 -23.596 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.017 14.143 -24.460 1.00 0.00 H new ATOM 304 N ARG A 20 9.408 11.015 -16.663 1.00 0.00 N ATOM 305 CA ARG A 20 9.141 10.759 -15.253 1.00 0.00 C ATOM 306 C ARG A 20 8.158 11.821 -14.771 1.00 0.00 C ATOM 307 O ARG A 20 8.241 12.974 -15.194 1.00 0.00 O ATOM 308 CB ARG A 20 10.436 10.775 -14.405 1.00 0.00 C ATOM 309 CG ARG A 20 10.672 9.459 -13.642 1.00 0.00 C ATOM 310 CD ARG A 20 11.169 8.308 -14.524 1.00 0.00 C ATOM 311 NE ARG A 20 12.546 8.540 -15.008 1.00 0.00 N ATOM 312 CZ ARG A 20 13.262 7.719 -15.792 1.00 0.00 C ATOM 313 NH1 ARG A 20 12.758 6.557 -16.208 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.490 8.068 -16.162 1.00 0.00 N ATOM 0 H ARG A 20 10.279 11.515 -16.841 1.00 0.00 H new ATOM 0 HA ARG A 20 8.717 9.762 -15.136 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.288 10.968 -15.057 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.387 11.598 -13.692 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.399 9.636 -12.849 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.742 9.158 -13.160 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.135 7.377 -13.959 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.500 8.188 -15.376 1.00 0.00 H new ATOM 0 HE ARG A 20 12.996 9.408 -14.718 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.816 6.281 -15.931 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.314 5.944 -16.804 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.884 8.956 -15.850 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.039 7.448 -16.758 1.00 0.00 H new ATOM 328 N ILE A 21 7.281 11.444 -13.855 1.00 0.00 N ATOM 329 CA ILE A 21 6.400 12.319 -13.104 1.00 0.00 C ATOM 330 C ILE A 21 6.759 12.024 -11.663 1.00 0.00 C ATOM 331 O ILE A 21 6.795 10.848 -11.318 1.00 0.00 O ATOM 332 CB ILE A 21 4.917 11.987 -13.355 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.571 12.008 -14.853 1.00 0.00 C ATOM 334 CG2 ILE A 21 3.961 12.849 -12.503 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.631 13.372 -15.534 1.00 0.00 C ATOM 0 H ILE A 21 7.159 10.463 -13.602 1.00 0.00 H new ATOM 0 HA ILE A 21 6.522 13.365 -13.384 1.00 0.00 H new ATOM 0 HB ILE A 21 4.763 10.962 -13.017 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.252 11.334 -15.373 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.566 11.605 -14.979 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.930 12.572 -12.721 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.166 12.682 -11.445 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.112 13.902 -12.740 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.368 13.265 -16.586 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.928 14.051 -15.052 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.640 13.776 -15.451 1.00 0.00 H new ATOM 347 N VAL A 22 6.972 13.023 -10.821 1.00 0.00 N ATOM 348 CA VAL A 22 7.111 12.840 -9.397 1.00 0.00 C ATOM 349 C VAL A 22 6.212 13.878 -8.742 1.00 0.00 C ATOM 350 O VAL A 22 6.388 15.076 -8.956 1.00 0.00 O ATOM 351 CB VAL A 22 8.587 12.937 -8.960 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.728 12.564 -7.479 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.516 12.024 -9.769 1.00 0.00 C ATOM 0 H VAL A 22 7.053 13.995 -11.119 1.00 0.00 H new ATOM 0 HA VAL A 22 6.802 11.842 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 22 8.884 13.971 -9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.775 12.637 -7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.132 13.247 -6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.378 11.543 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.540 12.139 -9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.204 10.987 -9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.466 12.296 -10.823 1.00 0.00 H new ATOM 363 N LEU A 23 5.239 13.429 -7.958 1.00 0.00 N ATOM 364 CA LEU A 23 4.443 14.301 -7.103 1.00 0.00 C ATOM 365 C LEU A 23 5.154 14.433 -5.763 1.00 0.00 C ATOM 366 O LEU A 23 5.378 13.416 -5.112 1.00 0.00 O ATOM 367 CB LEU A 23 3.045 13.693 -6.920 1.00 0.00 C ATOM 368 CG LEU A 23 2.250 14.263 -5.720 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.907 15.745 -5.881 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.950 13.491 -5.506 1.00 0.00 C ATOM 0 H LEU A 23 4.979 12.445 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 23 4.332 15.288 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.470 13.856 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.145 12.615 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 23 2.906 14.152 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.350 16.086 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.826 16.323 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.300 15.883 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.412 13.913 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.332 13.565 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.177 12.444 -5.308 1.00 0.00 H new ATOM 382 N GLU A 24 5.470 15.655 -5.342 1.00 0.00 N ATOM 383 CA GLU A 24 5.932 15.978 -4.005 1.00 0.00 C ATOM 384 C GLU A 24 4.693 16.308 -3.179 1.00 0.00 C ATOM 385 O GLU A 24 4.015 17.306 -3.445 1.00 0.00 O ATOM 386 CB GLU A 24 6.919 17.162 -4.051 1.00 0.00 C ATOM 387 CG GLU A 24 8.329 16.736 -3.640 1.00 0.00 C ATOM 388 CD GLU A 24 8.494 16.463 -2.127 1.00 0.00 C ATOM 389 OE1 GLU A 24 7.560 15.928 -1.486 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.584 16.757 -1.580 1.00 0.00 O ATOM 0 H GLU A 24 5.407 16.473 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 24 6.470 15.143 -3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.943 17.577 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.570 17.954 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.599 15.836 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.032 17.514 -3.936 1.00 0.00 H new ATOM 397 N LYS A 25 4.372 15.473 -2.189 1.00 0.00 N ATOM 398 CA LYS A 25 3.135 15.626 -1.422 1.00 0.00 C ATOM 399 C LYS A 25 3.174 16.848 -0.504 1.00 0.00 C ATOM 400 O LYS A 25 2.113 17.322 -0.102 1.00 0.00 O ATOM 401 CB LYS A 25 2.869 14.364 -0.597 1.00 0.00 C ATOM 402 CG LYS A 25 2.497 13.160 -1.477 1.00 0.00 C ATOM 403 CD LYS A 25 2.406 11.916 -0.590 1.00 0.00 C ATOM 404 CE LYS A 25 1.893 10.713 -1.392 1.00 0.00 C ATOM 405 NZ LYS A 25 1.642 9.516 -0.544 1.00 0.00 N ATOM 0 H LYS A 25 4.951 14.685 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 25 2.326 15.776 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.755 14.122 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.062 14.558 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.546 13.338 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.246 13.015 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.387 11.689 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.739 12.110 0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.971 10.990 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.621 10.460 -2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.297 8.735 -1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.526 9.231 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.927 9.744 0.176 1.00 0.00 H new ATOM 419 N ASP A 26 4.361 17.373 -0.177 1.00 0.00 N ATOM 420 CA ASP A 26 4.495 18.491 0.762 1.00 0.00 C ATOM 421 C ASP A 26 3.749 19.733 0.269 1.00 0.00 C ATOM 422 O ASP A 26 3.051 20.391 1.042 1.00 0.00 O ATOM 423 CB ASP A 26 5.964 18.855 0.964 1.00 0.00 C ATOM 424 CG ASP A 26 6.096 19.992 1.988 1.00 0.00 C ATOM 425 OD1 ASP A 26 5.905 19.729 3.199 1.00 0.00 O ATOM 426 OD2 ASP A 26 6.380 21.146 1.583 1.00 0.00 O ATOM 0 H ASP A 26 5.248 17.038 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 26 4.059 18.164 1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.518 17.981 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.404 19.159 0.014 1.00 0.00 H new ATOM 431 N ALA A 27 3.872 20.012 -1.036 1.00 0.00 N ATOM 432 CA ALA A 27 3.265 21.144 -1.711 1.00 0.00 C ATOM 433 C ALA A 27 2.209 20.715 -2.743 1.00 0.00 C ATOM 434 O ALA A 27 1.605 21.577 -3.386 1.00 0.00 O ATOM 435 CB ALA A 27 4.380 21.978 -2.355 1.00 0.00 C ATOM 0 H ALA A 27 4.420 19.426 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 27 2.729 21.747 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.943 22.835 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.065 22.328 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.925 21.365 -3.072 1.00 0.00 H new ATOM 441 N MET A 28 1.990 19.402 -2.914 1.00 0.00 N ATOM 442 CA MET A 28 1.198 18.818 -3.994 1.00 0.00 C ATOM 443 C MET A 28 1.706 19.329 -5.353 1.00 0.00 C ATOM 444 O MET A 28 0.923 19.644 -6.253 1.00 0.00 O ATOM 445 CB MET A 28 -0.318 18.951 -3.758 1.00 0.00 C ATOM 446 CG MET A 28 -0.788 18.135 -2.545 1.00 0.00 C ATOM 447 SD MET A 28 -0.572 16.332 -2.665 1.00 0.00 S ATOM 448 CE MET A 28 -1.811 15.910 -3.926 1.00 0.00 C ATOM 0 H MET A 28 2.374 18.700 -2.281 1.00 0.00 H new ATOM 0 HA MET A 28 1.346 17.738 -4.006 1.00 0.00 H new ATOM 0 HB2 MET A 28 -0.570 20.001 -3.608 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.853 18.619 -4.647 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.251 18.488 -1.665 1.00 0.00 H new ATOM 0 HG3 MET A 28 -1.845 18.344 -2.379 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.833 14.829 -4.067 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.793 16.253 -3.600 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.551 16.394 -4.868 1.00 0.00 H new ATOM 458 N ASP A 29 3.033 19.446 -5.480 1.00 0.00 N ATOM 459 CA ASP A 29 3.712 19.989 -6.651 1.00 0.00 C ATOM 460 C ASP A 29 4.210 18.842 -7.513 1.00 0.00 C ATOM 461 O ASP A 29 4.651 17.823 -6.975 1.00 0.00 O ATOM 462 CB ASP A 29 4.883 20.886 -6.245 1.00 0.00 C ATOM 463 CG ASP A 29 5.533 21.572 -7.456 1.00 0.00 C ATOM 464 OD1 ASP A 29 4.806 21.976 -8.395 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.771 21.765 -7.426 1.00 0.00 O ATOM 0 H ASP A 29 3.679 19.155 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 29 3.005 20.598 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.532 21.644 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.631 20.290 -5.722 1.00 0.00 H new ATOM 470 N VAL A 30 4.133 18.982 -8.833 1.00 0.00 N ATOM 471 CA VAL A 30 4.453 17.907 -9.754 1.00 0.00 C ATOM 472 C VAL A 30 5.690 18.274 -10.576 1.00 0.00 C ATOM 473 O VAL A 30 5.690 19.224 -11.363 1.00 0.00 O ATOM 474 CB VAL A 30 3.195 17.501 -10.545 1.00 0.00 C ATOM 475 CG1 VAL A 30 2.804 18.436 -11.698 1.00 0.00 C ATOM 476 CG2 VAL A 30 3.354 16.067 -11.063 1.00 0.00 C ATOM 0 H VAL A 30 3.846 19.847 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 30 4.743 16.998 -9.227 1.00 0.00 H new ATOM 0 HB VAL A 30 2.373 17.579 -9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.906 18.056 -12.186 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.610 19.435 -11.307 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.618 18.482 -12.421 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.463 15.781 -11.622 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.226 16.010 -11.715 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.486 15.388 -10.220 1.00 0.00 H new ATOM 486 N TRP A 31 6.750 17.489 -10.401 1.00 0.00 N ATOM 487 CA TRP A 31 7.944 17.516 -11.216 1.00 0.00 C ATOM 488 C TRP A 31 7.639 16.616 -12.412 1.00 0.00 C ATOM 489 O TRP A 31 7.421 15.419 -12.225 1.00 0.00 O ATOM 490 CB TRP A 31 9.133 16.993 -10.387 1.00 0.00 C ATOM 491 CG TRP A 31 9.224 17.444 -8.952 1.00 0.00 C ATOM 492 CD1 TRP A 31 8.907 16.706 -7.862 1.00 0.00 C ATOM 493 CD2 TRP A 31 9.673 18.725 -8.420 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.151 17.430 -6.717 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.646 18.680 -6.996 1.00 0.00 C ATOM 496 CE3 TRP A 31 10.102 19.924 -9.010 1.00 0.00 C ATOM 497 CZ2 TRP A 31 10.065 19.756 -6.197 1.00 0.00 C ATOM 498 CZ3 TRP A 31 10.530 21.014 -8.225 1.00 0.00 C ATOM 499 CH2 TRP A 31 10.516 20.931 -6.820 1.00 0.00 C ATOM 0 H TRP A 31 6.794 16.793 -9.657 1.00 0.00 H new ATOM 0 HA TRP A 31 8.212 18.517 -11.553 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.098 15.904 -10.397 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.053 17.287 -10.893 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.520 15.698 -7.887 1.00 0.00 H new ATOM 0 HE1 TRP A 31 8.984 17.080 -5.774 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.104 20.013 -10.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.041 19.681 -5.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.871 21.919 -8.705 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.851 21.767 -6.224 1.00 0.00 H new ATOM 510 N CYS A 32 7.584 17.153 -13.629 1.00 0.00 N ATOM 511 CA CYS A 32 7.398 16.377 -14.848 1.00 0.00 C ATOM 512 C CYS A 32 8.636 16.593 -15.718 1.00 0.00 C ATOM 513 O CYS A 32 9.007 17.736 -15.979 1.00 0.00 O ATOM 514 CB CYS A 32 6.111 16.828 -15.546 1.00 0.00 C ATOM 515 SG CYS A 32 4.690 16.662 -14.435 1.00 0.00 S ATOM 0 H CYS A 32 7.669 18.156 -13.796 1.00 0.00 H new ATOM 0 HA CYS A 32 7.291 15.312 -14.641 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.209 17.865 -15.867 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.949 16.231 -16.443 1.00 0.00 H new ATOM 0 HG CYS A 32 3.612 17.052 -15.048 1.00 0.00 H new ATOM 521 N ASN A 33 9.292 15.506 -16.139 1.00 0.00 N ATOM 522 CA ASN A 33 10.561 15.544 -16.888 1.00 0.00 C ATOM 523 C ASN A 33 11.600 16.467 -16.215 1.00 0.00 C ATOM 524 O ASN A 33 12.329 17.209 -16.873 1.00 0.00 O ATOM 525 CB ASN A 33 10.287 15.838 -18.380 1.00 0.00 C ATOM 526 CG ASN A 33 11.535 15.744 -19.266 1.00 0.00 C ATOM 527 OD1 ASN A 33 11.942 16.720 -19.894 1.00 0.00 O ATOM 528 ND2 ASN A 33 12.155 14.573 -19.378 1.00 0.00 N ATOM 0 H ASN A 33 8.954 14.559 -15.968 1.00 0.00 H new ATOM 0 HA ASN A 33 11.032 14.561 -16.860 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.538 15.137 -18.748 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.861 16.837 -18.472 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.969 14.483 -19.985 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.816 13.765 -18.856 1.00 0.00 H new ATOM 535 N GLY A 34 11.651 16.434 -14.876 1.00 0.00 N ATOM 536 CA GLY A 34 12.657 17.138 -14.078 1.00 0.00 C ATOM 537 C GLY A 34 12.406 18.638 -13.882 1.00 0.00 C ATOM 538 O GLY A 34 13.236 19.298 -13.256 1.00 0.00 O ATOM 0 H GLY A 34 10.983 15.909 -14.311 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.715 16.665 -13.098 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.629 17.008 -14.553 1.00 0.00 H new ATOM 542 N LYS A 35 11.285 19.190 -14.369 1.00 0.00 N ATOM 543 CA LYS A 35 10.891 20.591 -14.157 1.00 0.00 C ATOM 544 C LYS A 35 9.529 20.605 -13.472 1.00 0.00 C ATOM 545 O LYS A 35 8.719 19.716 -13.730 1.00 0.00 O ATOM 546 CB LYS A 35 10.837 21.344 -15.504 1.00 0.00 C ATOM 547 CG LYS A 35 12.160 21.380 -16.290 1.00 0.00 C ATOM 548 CD LYS A 35 13.287 22.147 -15.578 1.00 0.00 C ATOM 549 CE LYS A 35 14.533 22.191 -16.475 1.00 0.00 C ATOM 550 NZ LYS A 35 15.670 22.905 -15.836 1.00 0.00 N ATOM 0 H LYS A 35 10.615 18.666 -14.931 1.00 0.00 H new ATOM 0 HA LYS A 35 11.624 21.097 -13.528 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.074 20.881 -16.130 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.517 22.369 -15.316 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.490 20.358 -16.474 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.981 21.837 -17.263 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.959 23.160 -15.345 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.526 21.664 -14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.838 21.173 -16.718 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.282 22.682 -17.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.486 22.907 -16.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.391 23.885 -15.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.930 22.423 -14.952 1.00 0.00 H new ATOM 564 N LYS A 36 9.238 21.585 -12.611 1.00 0.00 N ATOM 565 CA LYS A 36 7.879 21.732 -12.089 1.00 0.00 C ATOM 566 C LYS A 36 7.000 22.405 -13.137 1.00 0.00 C ATOM 567 O LYS A 36 7.493 23.238 -13.905 1.00 0.00 O ATOM 568 CB LYS A 36 7.824 22.335 -10.671 1.00 0.00 C ATOM 569 CG LYS A 36 7.445 23.819 -10.514 1.00 0.00 C ATOM 570 CD LYS A 36 8.509 24.827 -10.977 1.00 0.00 C ATOM 571 CE LYS A 36 9.716 24.866 -10.023 1.00 0.00 C ATOM 572 NZ LYS A 36 10.675 25.950 -10.373 1.00 0.00 N ATOM 0 H LYS A 36 9.909 22.273 -12.268 1.00 0.00 H new ATOM 0 HA LYS A 36 7.452 20.743 -11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.112 21.749 -10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.803 22.193 -10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.528 24.003 -11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.222 24.010 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.847 24.564 -11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.065 25.820 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.365 25.010 -9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.230 23.905 -10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.471 25.938 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.031 25.800 -11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.193 26.870 -10.321 1.00 0.00 H new ATOM 586 N LEU A 37 5.713 22.064 -13.176 1.00 0.00 N ATOM 587 CA LEU A 37 4.718 22.695 -14.033 1.00 0.00 C ATOM 588 C LEU A 37 3.433 22.964 -13.251 1.00 0.00 C ATOM 589 O LEU A 37 3.265 22.486 -12.127 1.00 0.00 O ATOM 590 CB LEU A 37 4.528 21.911 -15.341 1.00 0.00 C ATOM 591 CG LEU A 37 4.149 20.430 -15.193 1.00 0.00 C ATOM 592 CD1 LEU A 37 2.709 20.189 -14.739 1.00 0.00 C ATOM 593 CD2 LEU A 37 4.370 19.733 -16.539 1.00 0.00 C ATOM 0 H LEU A 37 5.326 21.320 -12.595 1.00 0.00 H new ATOM 0 HA LEU A 37 5.077 23.674 -14.350 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.754 22.406 -15.928 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.452 21.973 -15.915 1.00 0.00 H new ATOM 0 HG LEU A 37 4.786 20.023 -14.408 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.527 19.117 -14.661 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.551 20.656 -13.767 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.021 20.622 -15.465 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.105 18.679 -16.451 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.745 20.202 -17.299 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.418 19.821 -16.827 1.00 0.00 H new ATOM 605 N GLU A 38 2.552 23.779 -13.830 1.00 0.00 N ATOM 606 CA GLU A 38 1.350 24.264 -13.167 1.00 0.00 C ATOM 607 C GLU A 38 0.323 23.143 -12.965 1.00 0.00 C ATOM 608 O GLU A 38 0.215 22.218 -13.774 1.00 0.00 O ATOM 609 CB GLU A 38 0.761 25.481 -13.902 1.00 0.00 C ATOM 610 CG GLU A 38 0.229 25.181 -15.312 1.00 0.00 C ATOM 611 CD GLU A 38 -0.274 26.463 -16.001 1.00 0.00 C ATOM 612 OE1 GLU A 38 -1.455 26.842 -15.805 1.00 0.00 O ATOM 613 OE2 GLU A 38 0.505 27.098 -16.755 1.00 0.00 O ATOM 0 H GLU A 38 2.658 24.123 -14.784 1.00 0.00 H new ATOM 0 HA GLU A 38 1.632 24.604 -12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.050 25.894 -13.302 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.528 26.252 -13.974 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.018 24.728 -15.912 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.582 24.455 -15.251 1.00 0.00 H new ATOM 620 N THR A 39 -0.448 23.262 -11.885 1.00 0.00 N ATOM 621 CA THR A 39 -1.461 22.307 -11.451 1.00 0.00 C ATOM 622 C THR A 39 -2.723 23.069 -11.030 1.00 0.00 C ATOM 623 O THR A 39 -2.641 24.198 -10.533 1.00 0.00 O ATOM 624 CB THR A 39 -0.910 21.429 -10.305 1.00 0.00 C ATOM 625 OG1 THR A 39 -0.044 22.138 -9.423 1.00 0.00 O ATOM 626 CG2 THR A 39 -0.128 20.234 -10.868 1.00 0.00 C ATOM 0 H THR A 39 -0.378 24.066 -11.261 1.00 0.00 H new ATOM 0 HA THR A 39 -1.722 21.640 -12.272 1.00 0.00 H new ATOM 0 HB THR A 39 -1.784 21.099 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.272 21.534 -8.719 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.252 19.628 -10.046 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.787 19.629 -11.491 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.707 20.596 -11.468 1.00 0.00 H new ATOM 634 N ALA A 40 -3.882 22.433 -11.201 1.00 0.00 N ATOM 635 CA ALA A 40 -5.170 22.878 -10.675 1.00 0.00 C ATOM 636 C ALA A 40 -5.689 21.733 -9.813 1.00 0.00 C ATOM 637 O ALA A 40 -5.501 20.579 -10.196 1.00 0.00 O ATOM 638 CB ALA A 40 -6.134 23.208 -11.821 1.00 0.00 C ATOM 0 H ALA A 40 -3.951 21.563 -11.729 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.075 23.791 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.088 23.538 -11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.710 24.002 -12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.290 22.319 -12.433 1.00 0.00 H new ATOM 644 N GLY A 41 -6.305 22.016 -8.667 1.00 0.00 N ATOM 645 CA GLY A 41 -6.723 21.003 -7.712 1.00 0.00 C ATOM 646 C GLY A 41 -8.227 21.111 -7.567 1.00 0.00 C ATOM 647 O GLY A 41 -8.716 22.075 -6.971 1.00 0.00 O ATOM 0 H GLY A 41 -6.529 22.968 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.441 20.009 -8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.233 21.156 -6.751 1.00 0.00 H new ATOM 651 N GLU A 42 -8.950 20.148 -8.130 1.00 0.00 N ATOM 652 CA GLU A 42 -10.385 20.018 -7.951 1.00 0.00 C ATOM 653 C GLU A 42 -10.668 18.977 -6.874 1.00 0.00 C ATOM 654 O GLU A 42 -9.876 18.054 -6.665 1.00 0.00 O ATOM 655 CB GLU A 42 -11.081 19.675 -9.278 1.00 0.00 C ATOM 656 CG GLU A 42 -11.389 20.967 -10.040 1.00 0.00 C ATOM 657 CD GLU A 42 -12.159 20.719 -11.351 1.00 0.00 C ATOM 658 OE1 GLU A 42 -13.338 20.288 -11.296 1.00 0.00 O ATOM 659 OE2 GLU A 42 -11.618 21.013 -12.445 1.00 0.00 O ATOM 0 H GLU A 42 -8.547 19.429 -8.730 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.794 20.974 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.442 19.028 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.002 19.124 -9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.973 21.630 -9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.455 21.482 -10.265 1.00 0.00 H new ATOM 666 N PHE A 43 -11.809 19.110 -6.200 1.00 0.00 N ATOM 667 CA PHE A 43 -12.230 18.199 -5.141 1.00 0.00 C ATOM 668 C PHE A 43 -13.586 17.608 -5.504 1.00 0.00 C ATOM 669 O PHE A 43 -14.472 18.325 -5.980 1.00 0.00 O ATOM 670 CB PHE A 43 -12.272 18.936 -3.795 1.00 0.00 C ATOM 671 CG PHE A 43 -12.536 18.025 -2.610 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.498 17.227 -2.091 1.00 0.00 C ATOM 673 CD2 PHE A 43 -13.820 17.962 -2.034 1.00 0.00 C ATOM 674 CE1 PHE A 43 -11.740 16.373 -1.001 1.00 0.00 C ATOM 675 CE2 PHE A 43 -14.060 17.110 -0.940 1.00 0.00 C ATOM 676 CZ PHE A 43 -13.022 16.313 -0.426 1.00 0.00 C ATOM 0 H PHE A 43 -12.474 19.863 -6.377 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.514 17.383 -5.042 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.323 19.450 -3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -13.047 19.701 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.513 17.271 -2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -14.621 18.568 -2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.941 15.763 -0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -15.043 17.068 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.209 15.655 0.410 1.00 0.00 H new ATOM 686 N VAL A 44 -13.751 16.312 -5.256 1.00 0.00 N ATOM 687 CA VAL A 44 -14.977 15.569 -5.456 1.00 0.00 C ATOM 688 C VAL A 44 -15.344 14.798 -4.187 1.00 0.00 C ATOM 689 O VAL A 44 -14.529 14.629 -3.279 1.00 0.00 O ATOM 690 CB VAL A 44 -14.829 14.629 -6.672 1.00 0.00 C ATOM 691 CG1 VAL A 44 -15.170 15.375 -7.961 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.468 13.923 -6.779 1.00 0.00 C ATOM 0 H VAL A 44 -12.995 15.731 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.791 16.263 -5.665 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.545 13.823 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.062 14.701 -8.811 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.198 15.735 -7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.494 16.222 -8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.458 13.285 -7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.677 14.668 -6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.303 13.314 -5.890 1.00 0.00 H new ATOM 702 N ASP A 45 -16.569 14.271 -4.157 1.00 0.00 N ATOM 703 CA ASP A 45 -17.104 13.442 -3.070 1.00 0.00 C ATOM 704 C ASP A 45 -16.543 12.009 -3.148 1.00 0.00 C ATOM 705 O ASP A 45 -17.268 11.010 -3.170 1.00 0.00 O ATOM 706 CB ASP A 45 -18.638 13.502 -3.053 1.00 0.00 C ATOM 707 CG ASP A 45 -19.236 12.740 -1.853 1.00 0.00 C ATOM 708 OD1 ASP A 45 -18.700 12.852 -0.723 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.282 12.067 -2.024 1.00 0.00 O ATOM 0 H ASP A 45 -17.240 14.413 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.772 13.843 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.959 14.543 -3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -19.027 13.080 -3.980 1.00 0.00 H new ATOM 714 N ASP A 46 -15.222 11.927 -3.302 1.00 0.00 N ATOM 715 CA ASP A 46 -14.430 10.728 -3.561 1.00 0.00 C ATOM 716 C ASP A 46 -12.962 10.964 -3.185 1.00 0.00 C ATOM 717 O ASP A 46 -12.297 10.062 -2.669 1.00 0.00 O ATOM 718 CB ASP A 46 -14.504 10.397 -5.057 1.00 0.00 C ATOM 719 CG ASP A 46 -13.582 9.225 -5.425 1.00 0.00 C ATOM 720 OD1 ASP A 46 -13.910 8.067 -5.071 1.00 0.00 O ATOM 721 OD2 ASP A 46 -12.570 9.465 -6.126 1.00 0.00 O ATOM 0 H ASP A 46 -14.635 12.759 -3.244 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.826 9.907 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.531 10.150 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.225 11.276 -5.639 1.00 0.00 H new ATOM 726 N GLY A 47 -12.451 12.180 -3.403 1.00 0.00 N ATOM 727 CA GLY A 47 -11.055 12.514 -3.213 1.00 0.00 C ATOM 728 C GLY A 47 -10.732 13.818 -3.933 1.00 0.00 C ATOM 729 O GLY A 47 -11.617 14.641 -4.174 1.00 0.00 O ATOM 0 H GLY A 47 -13.015 12.967 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.837 12.612 -2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.425 11.711 -3.595 1.00 0.00 H new ATOM 733 N THR A 48 -9.473 13.987 -4.318 1.00 0.00 N ATOM 734 CA THR A 48 -8.982 15.180 -4.990 1.00 0.00 C ATOM 735 C THR A 48 -8.468 14.757 -6.362 1.00 0.00 C ATOM 736 O THR A 48 -8.044 13.614 -6.548 1.00 0.00 O ATOM 737 CB THR A 48 -7.902 15.882 -4.140 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.175 15.797 -2.746 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.747 17.372 -4.472 1.00 0.00 C ATOM 0 H THR A 48 -8.751 13.283 -4.168 1.00 0.00 H new ATOM 0 HA THR A 48 -9.779 15.912 -5.119 1.00 0.00 H new ATOM 0 HB THR A 48 -6.983 15.351 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.466 16.253 -2.245 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.973 17.807 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.466 17.484 -5.519 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.692 17.885 -4.293 1.00 0.00 H new ATOM 747 N GLU A 49 -8.503 15.668 -7.326 1.00 0.00 N ATOM 748 CA GLU A 49 -8.004 15.467 -8.671 1.00 0.00 C ATOM 749 C GLU A 49 -7.124 16.669 -9.030 1.00 0.00 C ATOM 750 O GLU A 49 -7.614 17.789 -9.170 1.00 0.00 O ATOM 751 CB GLU A 49 -9.163 15.221 -9.655 1.00 0.00 C ATOM 752 CG GLU A 49 -9.937 13.942 -9.283 1.00 0.00 C ATOM 753 CD GLU A 49 -11.032 13.529 -10.287 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.719 14.397 -10.881 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.253 12.300 -10.425 1.00 0.00 O ATOM 0 H GLU A 49 -8.895 16.599 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.389 14.569 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.840 16.076 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.772 15.133 -10.669 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.227 13.121 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.397 14.085 -8.305 1.00 0.00 H new ATOM 762 N THR A 50 -5.809 16.448 -9.121 1.00 0.00 N ATOM 763 CA THR A 50 -4.837 17.475 -9.485 1.00 0.00 C ATOM 764 C THR A 50 -4.603 17.377 -10.990 1.00 0.00 C ATOM 765 O THR A 50 -3.944 16.436 -11.421 1.00 0.00 O ATOM 766 CB THR A 50 -3.550 17.288 -8.659 1.00 0.00 C ATOM 767 OG1 THR A 50 -3.809 17.574 -7.294 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.398 18.178 -9.148 1.00 0.00 C ATOM 0 H THR A 50 -5.387 15.537 -8.941 1.00 0.00 H new ATOM 0 HA THR A 50 -5.201 18.477 -9.259 1.00 0.00 H new ATOM 0 HB THR A 50 -3.242 16.250 -8.783 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.988 17.452 -6.773 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.517 18.005 -8.530 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.167 17.937 -10.185 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.692 19.225 -9.076 1.00 0.00 H new ATOM 776 N HIS A 51 -5.138 18.308 -11.778 1.00 0.00 N ATOM 777 CA HIS A 51 -5.091 18.297 -13.239 1.00 0.00 C ATOM 778 C HIS A 51 -3.861 19.052 -13.750 1.00 0.00 C ATOM 779 O HIS A 51 -3.459 20.052 -13.147 1.00 0.00 O ATOM 780 CB HIS A 51 -6.371 18.920 -13.814 1.00 0.00 C ATOM 781 CG HIS A 51 -7.630 18.153 -13.485 1.00 0.00 C ATOM 782 ND1 HIS A 51 -8.229 17.195 -14.276 1.00 0.00 N ATOM 783 CD2 HIS A 51 -8.406 18.291 -12.363 1.00 0.00 C ATOM 784 CE1 HIS A 51 -9.327 16.753 -13.634 1.00 0.00 C ATOM 785 NE2 HIS A 51 -9.478 17.397 -12.462 1.00 0.00 N ATOM 0 H HIS A 51 -5.633 19.118 -11.404 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.020 17.261 -13.572 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.469 19.938 -13.436 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.273 18.990 -14.897 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.222 18.972 -11.545 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.993 15.989 -14.007 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.225 17.261 -11.781 1.00 0.00 H new ATOM 793 N PHE A 52 -3.294 18.592 -14.870 1.00 0.00 N ATOM 794 CA PHE A 52 -2.240 19.246 -15.647 1.00 0.00 C ATOM 795 C PHE A 52 -2.256 18.676 -17.080 1.00 0.00 C ATOM 796 O PHE A 52 -3.145 17.896 -17.427 1.00 0.00 O ATOM 797 CB PHE A 52 -0.872 19.087 -14.950 1.00 0.00 C ATOM 798 CG PHE A 52 -0.462 17.686 -14.533 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.958 17.153 -13.329 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.463 16.945 -15.296 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.538 15.893 -12.886 1.00 0.00 C ATOM 802 CE2 PHE A 52 0.890 15.682 -14.840 1.00 0.00 C ATOM 803 CZ PHE A 52 0.394 15.158 -13.635 1.00 0.00 C ATOM 0 H PHE A 52 -3.576 17.702 -15.281 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.422 20.319 -15.709 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.105 19.478 -15.619 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.871 19.718 -14.061 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.667 17.719 -12.743 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.843 17.343 -16.225 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.932 15.486 -11.966 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.602 15.114 -15.420 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.729 14.192 -13.286 1.00 0.00 H new ATOM 813 N SER A 53 -1.292 19.051 -17.923 1.00 0.00 N ATOM 814 CA SER A 53 -1.210 18.640 -19.325 1.00 0.00 C ATOM 815 C SER A 53 0.261 18.486 -19.725 1.00 0.00 C ATOM 816 O SER A 53 1.118 19.216 -19.217 1.00 0.00 O ATOM 817 CB SER A 53 -1.900 19.670 -20.235 1.00 0.00 C ATOM 818 OG SER A 53 -3.251 19.904 -19.847 1.00 0.00 O ATOM 0 H SER A 53 -0.527 19.665 -17.642 1.00 0.00 H new ATOM 0 HA SER A 53 -1.722 17.685 -19.443 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.346 20.609 -20.205 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.875 19.317 -21.266 1.00 0.00 H new ATOM 0 HG SER A 53 -3.654 20.565 -20.448 1.00 0.00 H new ATOM 824 N ILE A 54 0.552 17.535 -20.618 1.00 0.00 N ATOM 825 CA ILE A 54 1.888 17.214 -21.118 1.00 0.00 C ATOM 826 C ILE A 54 1.706 16.878 -22.600 1.00 0.00 C ATOM 827 O ILE A 54 0.841 16.068 -22.943 1.00 0.00 O ATOM 828 CB ILE A 54 2.509 16.032 -20.325 1.00 0.00 C ATOM 829 CG1 ILE A 54 2.658 16.380 -18.826 1.00 0.00 C ATOM 830 CG2 ILE A 54 3.879 15.625 -20.907 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.097 15.214 -17.942 1.00 0.00 C ATOM 0 H ILE A 54 -0.170 16.943 -21.029 1.00 0.00 H new ATOM 0 HA ILE A 54 2.580 18.047 -20.991 1.00 0.00 H new ATOM 0 HB ILE A 54 1.826 15.188 -20.421 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.382 17.188 -18.725 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.704 16.759 -18.458 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.287 14.795 -20.330 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.757 15.319 -21.946 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.562 16.473 -20.857 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.175 15.550 -16.908 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.363 14.411 -18.008 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.067 14.847 -18.278 1.00 0.00 H new ATOM 843 N GLY A 55 2.508 17.482 -23.480 1.00 0.00 N ATOM 844 CA GLY A 55 2.364 17.287 -24.919 1.00 0.00 C ATOM 845 C GLY A 55 0.950 17.682 -25.353 1.00 0.00 C ATOM 846 O GLY A 55 0.463 18.752 -24.974 1.00 0.00 O ATOM 0 H GLY A 55 3.266 18.112 -23.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.100 17.888 -25.453 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.556 16.245 -25.176 1.00 0.00 H new ATOM 850 N ASN A 56 0.286 16.804 -26.111 1.00 0.00 N ATOM 851 CA ASN A 56 -1.099 16.966 -26.553 1.00 0.00 C ATOM 852 C ASN A 56 -2.068 16.126 -25.698 1.00 0.00 C ATOM 853 O ASN A 56 -3.096 15.660 -26.197 1.00 0.00 O ATOM 854 CB ASN A 56 -1.208 16.661 -28.059 1.00 0.00 C ATOM 855 CG ASN A 56 -2.539 17.119 -28.667 1.00 0.00 C ATOM 856 OD1 ASN A 56 -3.173 18.065 -28.201 1.00 0.00 O ATOM 857 ND2 ASN A 56 -2.972 16.490 -29.752 1.00 0.00 N ATOM 0 H ASN A 56 0.710 15.938 -26.442 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.400 18.003 -26.406 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.387 17.150 -28.584 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.093 15.589 -28.216 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.835 16.790 -30.205 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.442 15.707 -30.133 1.00 0.00 H new ATOM 864 N HIS A 57 -1.722 15.875 -24.430 1.00 0.00 N ATOM 865 CA HIS A 57 -2.457 14.993 -23.528 1.00 0.00 C ATOM 866 C HIS A 57 -2.740 15.737 -22.222 1.00 0.00 C ATOM 867 O HIS A 57 -1.903 16.511 -21.751 1.00 0.00 O ATOM 868 CB HIS A 57 -1.643 13.715 -23.252 1.00 0.00 C ATOM 869 CG HIS A 57 -1.057 13.067 -24.485 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.709 12.241 -25.375 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.226 13.217 -24.945 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.838 11.904 -26.344 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.361 12.478 -26.127 1.00 0.00 N ATOM 0 H HIS A 57 -0.900 16.293 -23.995 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.400 14.703 -23.991 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.833 13.957 -22.564 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.285 12.993 -22.747 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.001 13.805 -24.476 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.069 11.261 -27.181 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.197 12.392 -26.705 1.00 0.00 H new ATOM 881 N ASP A 58 -3.901 15.489 -21.615 1.00 0.00 N ATOM 882 CA ASP A 58 -4.206 15.953 -20.263 1.00 0.00 C ATOM 883 C ASP A 58 -3.945 14.814 -19.281 1.00 0.00 C ATOM 884 O ASP A 58 -4.064 13.631 -19.625 1.00 0.00 O ATOM 885 CB ASP A 58 -5.618 16.522 -20.114 1.00 0.00 C ATOM 886 CG ASP A 58 -6.656 15.442 -19.750 1.00 0.00 C ATOM 887 OD1 ASP A 58 -7.172 14.769 -20.672 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.978 15.288 -18.546 1.00 0.00 O ATOM 0 H ASP A 58 -4.657 14.960 -22.049 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.547 16.792 -20.040 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.616 17.293 -19.344 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.912 17.004 -21.046 1.00 0.00 H new ATOM 893 N CYS A 59 -3.568 15.181 -18.062 1.00 0.00 N ATOM 894 CA CYS A 59 -3.203 14.278 -16.990 1.00 0.00 C ATOM 895 C CYS A 59 -3.896 14.745 -15.718 1.00 0.00 C ATOM 896 O CYS A 59 -4.100 15.947 -15.535 1.00 0.00 O ATOM 897 CB CYS A 59 -1.693 14.310 -16.724 1.00 0.00 C ATOM 898 SG CYS A 59 -0.707 14.362 -18.247 1.00 0.00 S ATOM 0 H CYS A 59 -3.507 16.161 -17.787 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.497 13.268 -17.276 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.455 15.181 -16.114 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.413 13.430 -16.146 1.00 0.00 H new ATOM 0 HG CYS A 59 0.337 13.599 -18.114 1.00 0.00 H new ATOM 904 N TYR A 60 -4.212 13.832 -14.806 1.00 0.00 N ATOM 905 CA TYR A 60 -4.643 14.221 -13.484 1.00 0.00 C ATOM 906 C TYR A 60 -4.170 13.195 -12.474 1.00 0.00 C ATOM 907 O TYR A 60 -4.211 11.999 -12.744 1.00 0.00 O ATOM 908 CB TYR A 60 -6.146 14.507 -13.425 1.00 0.00 C ATOM 909 CG TYR A 60 -7.110 13.338 -13.516 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.274 12.458 -12.432 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.914 13.187 -14.659 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.224 11.425 -12.493 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.920 12.203 -14.700 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.081 11.315 -13.609 1.00 0.00 C ATOM 915 OH TYR A 60 -10.025 10.327 -13.635 1.00 0.00 O ATOM 0 H TYR A 60 -4.176 12.825 -14.964 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.179 15.171 -13.221 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.347 15.031 -12.490 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.384 15.197 -14.235 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.666 12.577 -11.547 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.759 13.831 -15.512 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.299 10.713 -11.684 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.567 12.126 -15.561 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.536 10.385 -14.469 1.00 0.00 H new ATOM 925 N ILE A 61 -3.727 13.636 -11.301 1.00 0.00 N ATOM 926 CA ILE A 61 -3.452 12.731 -10.197 1.00 0.00 C ATOM 927 C ILE A 61 -4.746 12.638 -9.408 1.00 0.00 C ATOM 928 O ILE A 61 -5.211 13.640 -8.866 1.00 0.00 O ATOM 929 CB ILE A 61 -2.235 13.177 -9.362 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.955 13.133 -10.220 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.057 12.265 -8.130 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.122 14.086 -9.695 1.00 0.00 C ATOM 0 H ILE A 61 -3.551 14.619 -11.093 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.159 11.742 -10.548 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.411 14.199 -9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.563 12.116 -10.234 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.200 13.395 -11.249 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.193 12.596 -7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.950 12.317 -7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.902 11.237 -8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.006 14.022 -10.330 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.259 15.107 -9.706 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.387 13.809 -8.675 1.00 0.00 H new ATOM 944 N LYS A 62 -5.339 11.448 -9.374 1.00 0.00 N ATOM 945 CA LYS A 62 -6.450 11.121 -8.499 1.00 0.00 C ATOM 946 C LYS A 62 -5.818 10.863 -7.141 1.00 0.00 C ATOM 947 O LYS A 62 -4.804 10.171 -7.070 1.00 0.00 O ATOM 948 CB LYS A 62 -7.179 9.878 -9.046 1.00 0.00 C ATOM 949 CG LYS A 62 -8.696 9.934 -8.823 1.00 0.00 C ATOM 950 CD LYS A 62 -9.366 8.690 -9.431 1.00 0.00 C ATOM 951 CE LYS A 62 -10.893 8.717 -9.264 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.581 9.576 -10.270 1.00 0.00 N ATOM 0 H LYS A 62 -5.051 10.671 -9.968 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.196 11.912 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.976 9.783 -10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.778 8.986 -8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.913 9.989 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.105 10.836 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.119 8.627 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.965 7.794 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.278 7.700 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.136 9.075 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.611 9.472 -10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.316 10.570 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.296 9.286 -11.227 1.00 0.00 H new ATOM 966 N ALA A 63 -6.393 11.407 -6.080 1.00 0.00 N ATOM 967 CA ALA A 63 -5.935 11.222 -4.722 1.00 0.00 C ATOM 968 C ALA A 63 -7.184 10.861 -3.922 1.00 0.00 C ATOM 969 O ALA A 63 -7.947 11.742 -3.531 1.00 0.00 O ATOM 970 CB ALA A 63 -5.240 12.502 -4.252 1.00 0.00 C ATOM 0 H ALA A 63 -7.215 12.006 -6.148 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.195 10.431 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.891 12.371 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.390 12.714 -4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.943 13.334 -4.292 1.00 0.00 H new ATOM 976 N VAL A 64 -7.436 9.568 -3.760 1.00 0.00 N ATOM 977 CA VAL A 64 -8.677 9.019 -3.225 1.00 0.00 C ATOM 978 C VAL A 64 -8.539 8.819 -1.720 1.00 0.00 C ATOM 979 O VAL A 64 -7.600 8.150 -1.301 1.00 0.00 O ATOM 980 CB VAL A 64 -9.016 7.663 -3.895 1.00 0.00 C ATOM 981 CG1 VAL A 64 -10.518 7.398 -3.807 1.00 0.00 C ATOM 982 CG2 VAL A 64 -8.568 7.558 -5.362 1.00 0.00 C ATOM 0 H VAL A 64 -6.758 8.847 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.483 9.722 -3.435 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.453 6.910 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.747 6.443 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.821 7.366 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.059 8.195 -4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.842 6.580 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.057 8.336 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.487 7.684 -5.422 1.00 0.00 H new ATOM 992 N SER A 65 -9.460 9.317 -0.901 1.00 0.00 N ATOM 993 CA SER A 65 -9.386 9.229 0.558 1.00 0.00 C ATOM 994 C SER A 65 -9.829 7.846 1.089 1.00 0.00 C ATOM 995 O SER A 65 -10.648 7.748 2.006 1.00 0.00 O ATOM 996 CB SER A 65 -10.151 10.407 1.178 1.00 0.00 C ATOM 997 OG SER A 65 -9.804 11.627 0.528 1.00 0.00 O ATOM 0 H SER A 65 -10.293 9.801 -1.235 1.00 0.00 H new ATOM 0 HA SER A 65 -8.345 9.313 0.869 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.224 10.236 1.093 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.922 10.477 2.241 1.00 0.00 H new ATOM 0 HG SER A 65 -10.302 12.367 0.934 1.00 0.00 H new ATOM 1111 N ILE A 73 -4.320 8.188 1.537 1.00 0.00 N ATOM 1112 CA ILE A 73 -4.984 8.668 0.343 1.00 0.00 C ATOM 1113 C ILE A 73 -4.286 7.904 -0.796 1.00 0.00 C ATOM 1114 O ILE A 73 -3.057 7.959 -0.906 1.00 0.00 O ATOM 1115 CB ILE A 73 -4.847 10.206 0.272 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -5.693 10.988 1.307 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.285 10.721 -1.104 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -5.541 10.633 2.790 1.00 0.00 C ATOM 0 HA ILE A 73 -6.058 8.489 0.302 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.792 10.383 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.461 12.047 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.743 10.862 1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.182 11.806 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.659 10.274 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.326 10.450 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.198 11.267 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.809 9.588 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.507 10.791 3.098 1.00 0.00 H new ATOM 1130 N ILE A 74 -5.037 7.196 -1.640 1.00 0.00 N ATOM 1131 CA ILE A 74 -4.497 6.423 -2.752 1.00 0.00 C ATOM 1132 C ILE A 74 -4.206 7.424 -3.855 1.00 0.00 C ATOM 1133 O ILE A 74 -5.133 8.060 -4.355 1.00 0.00 O ATOM 1134 CB ILE A 74 -5.499 5.326 -3.183 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -5.688 4.270 -2.074 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -5.095 4.653 -4.507 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -4.421 3.493 -1.701 1.00 0.00 C ATOM 0 H ILE A 74 -6.053 7.145 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.584 5.892 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.453 5.826 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.069 4.766 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.451 3.560 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.830 3.891 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.054 5.402 -5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.115 4.189 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.653 2.775 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.048 2.963 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.660 4.187 -1.345 1.00 0.00 H new ATOM 1149 N HIS A 75 -2.938 7.570 -4.225 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.536 8.442 -5.310 1.00 0.00 C ATOM 1151 C HIS A 75 -2.392 7.598 -6.574 1.00 0.00 C ATOM 1152 O HIS A 75 -1.710 6.570 -6.558 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.249 9.180 -4.936 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.459 10.223 -3.868 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -1.646 10.010 -2.517 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.547 11.571 -4.077 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.826 11.210 -1.935 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.771 12.195 -2.846 1.00 0.00 N ATOM 0 H HIS A 75 -2.162 7.083 -3.776 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.287 9.209 -5.499 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.509 8.458 -4.591 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.838 9.656 -5.826 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.647 9.106 -2.045 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.459 12.069 -5.031 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.992 11.360 -0.879 1.00 0.00 H new ATOM 1166 N THR A 76 -2.994 8.046 -7.674 1.00 0.00 N ATOM 1167 CA THR A 76 -2.900 7.412 -8.981 1.00 0.00 C ATOM 1168 C THR A 76 -2.735 8.505 -10.020 1.00 0.00 C ATOM 1169 O THR A 76 -3.411 9.524 -9.920 1.00 0.00 O ATOM 1170 CB THR A 76 -4.172 6.605 -9.298 1.00 0.00 C ATOM 1171 OG1 THR A 76 -4.679 5.928 -8.152 1.00 0.00 O ATOM 1172 CG2 THR A 76 -3.909 5.591 -10.408 1.00 0.00 C ATOM 0 H THR A 76 -3.576 8.884 -7.677 1.00 0.00 H new ATOM 0 HA THR A 76 -2.052 6.727 -8.989 1.00 0.00 H new ATOM 0 HB THR A 76 -4.922 7.323 -9.629 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.487 5.430 -8.397 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.822 5.033 -10.615 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.591 6.113 -11.310 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.126 4.902 -10.093 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.901 8.303 -11.036 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.858 9.212 -12.170 1.00 0.00 C ATOM 1182 C LEU A 77 -2.794 8.653 -13.224 1.00 0.00 C ATOM 1183 O LEU A 77 -2.726 7.473 -13.550 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.415 9.359 -12.663 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.277 10.197 -13.940 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.649 11.662 -13.700 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.172 10.130 -14.415 1.00 0.00 C ATOM 0 H LEU A 77 -1.249 7.520 -11.095 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.188 10.216 -11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.183 9.815 -11.874 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.001 8.367 -12.844 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.957 9.792 -14.689 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.538 12.222 -14.628 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.683 11.724 -13.360 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.009 12.085 -12.940 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.285 10.722 -15.323 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.828 10.526 -13.640 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.440 9.094 -14.622 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.669 9.489 -13.754 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.498 9.216 -14.905 1.00 0.00 C ATOM 1201 C ILE A 78 -3.941 10.105 -16.020 1.00 0.00 C ATOM 1202 O ILE A 78 -3.598 11.261 -15.771 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.982 9.488 -14.562 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.683 8.283 -13.897 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.791 9.892 -15.800 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.099 7.891 -12.545 1.00 0.00 C ATOM 0 H ILE A 78 -3.825 10.422 -13.371 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.474 8.174 -15.225 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.955 10.312 -13.849 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.740 8.516 -13.770 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.624 7.426 -14.568 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.827 10.074 -15.514 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.369 10.800 -16.230 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.753 9.090 -16.537 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.647 7.037 -12.146 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.049 7.624 -12.666 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.183 8.731 -11.855 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.878 9.602 -17.251 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.541 10.369 -18.440 1.00 0.00 C ATOM 1220 C VAL A 79 -4.504 9.971 -19.549 1.00 0.00 C ATOM 1221 O VAL A 79 -4.745 8.781 -19.756 1.00 0.00 O ATOM 1222 CB VAL A 79 -2.071 10.164 -18.829 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.651 11.028 -20.027 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -1.161 10.494 -17.642 1.00 0.00 C ATOM 0 H VAL A 79 -4.066 8.620 -17.451 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.649 11.437 -18.249 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.967 9.117 -19.114 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.602 10.843 -20.259 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.264 10.774 -20.892 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.788 12.081 -19.782 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.120 10.345 -17.929 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.311 11.532 -17.346 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.404 9.840 -16.805 1.00 0.00 H new ATOM 1234 N ASP A 80 -5.075 10.971 -20.227 1.00 0.00 N ATOM 1235 CA ASP A 80 -6.073 10.814 -21.289 1.00 0.00 C ATOM 1236 C ASP A 80 -7.165 9.802 -20.896 1.00 0.00 C ATOM 1237 O ASP A 80 -7.568 8.934 -21.674 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.389 10.555 -22.641 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.354 10.661 -23.838 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -7.321 11.459 -23.799 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -6.107 9.970 -24.857 1.00 0.00 O ATOM 0 H ASP A 80 -4.846 11.948 -20.044 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.616 11.750 -21.420 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.576 11.269 -22.773 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.941 9.561 -22.630 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.607 9.902 -19.634 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.628 9.079 -18.976 1.00 0.00 C ATOM 1248 C ASN A 81 -8.283 7.584 -18.801 1.00 0.00 C ATOM 1249 O ASN A 81 -9.180 6.773 -18.559 1.00 0.00 O ATOM 1250 CB ASN A 81 -10.019 9.330 -19.589 1.00 0.00 C ATOM 1251 CG ASN A 81 -11.165 8.896 -18.668 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.083 9.001 -17.447 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -12.279 8.443 -19.231 1.00 0.00 N ATOM 0 H ASN A 81 -7.233 10.611 -19.003 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.651 9.424 -17.942 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.124 10.391 -19.816 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.096 8.793 -20.534 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.074 8.180 -18.649 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.340 8.359 -20.246 1.00 0.00 H new ATOM 1260 N ARG A 82 -7.005 7.186 -18.894 1.00 0.00 N ATOM 1261 CA ARG A 82 -6.520 5.853 -18.531 1.00 0.00 C ATOM 1262 C ARG A 82 -5.556 5.930 -17.360 1.00 0.00 C ATOM 1263 O ARG A 82 -4.929 6.959 -17.124 1.00 0.00 O ATOM 1264 CB ARG A 82 -5.904 5.128 -19.740 1.00 0.00 C ATOM 1265 CG ARG A 82 -7.017 4.624 -20.669 1.00 0.00 C ATOM 1266 CD ARG A 82 -7.244 5.494 -21.905 1.00 0.00 C ATOM 1267 NE ARG A 82 -6.142 5.392 -22.881 1.00 0.00 N ATOM 1268 CZ ARG A 82 -5.857 6.308 -23.816 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -6.504 7.464 -23.829 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -4.925 6.066 -24.734 1.00 0.00 N ATOM 0 H ARG A 82 -6.265 7.800 -19.233 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.375 5.258 -18.212 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.244 5.804 -20.283 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.294 4.291 -19.401 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.775 3.611 -20.991 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.947 4.565 -20.104 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.178 5.200 -22.385 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.357 6.534 -21.597 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.552 4.561 -22.841 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.219 7.656 -23.127 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.287 8.162 -24.541 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.422 5.178 -24.729 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.713 6.768 -25.443 1.00 0.00 H new ATOM 1284 N GLU A 83 -5.479 4.841 -16.606 1.00 0.00 N ATOM 1285 CA GLU A 83 -4.789 4.759 -15.331 1.00 0.00 C ATOM 1286 C GLU A 83 -3.321 4.365 -15.531 1.00 0.00 C ATOM 1287 O GLU A 83 -3.022 3.464 -16.319 1.00 0.00 O ATOM 1288 CB GLU A 83 -5.573 3.783 -14.440 1.00 0.00 C ATOM 1289 CG GLU A 83 -4.865 3.470 -13.125 1.00 0.00 C ATOM 1290 CD GLU A 83 -5.737 2.590 -12.210 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -6.713 3.102 -11.610 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -5.451 1.374 -12.079 1.00 0.00 O ATOM 0 H GLU A 83 -5.913 3.959 -16.879 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.757 5.728 -14.834 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.555 4.205 -14.225 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.738 2.854 -14.987 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.923 2.962 -13.330 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.621 4.400 -12.612 1.00 0.00 H new ATOM 1299 N ILE A 84 -2.419 5.016 -14.787 1.00 0.00 N ATOM 1300 CA ILE A 84 -0.971 4.855 -14.829 1.00 0.00 C ATOM 1301 C ILE A 84 -0.532 4.440 -13.408 1.00 0.00 C ATOM 1302 O ILE A 84 -0.755 5.208 -12.466 1.00 0.00 O ATOM 1303 CB ILE A 84 -0.308 6.182 -15.299 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.922 6.799 -16.574 1.00 0.00 C ATOM 1305 CG2 ILE A 84 1.214 6.030 -15.476 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -0.902 5.915 -17.823 1.00 0.00 C ATOM 0 H ILE A 84 -2.705 5.712 -14.098 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.659 4.091 -15.541 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.517 6.881 -14.489 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.956 7.070 -16.361 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.390 7.724 -16.799 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.639 6.979 -15.805 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.664 5.741 -14.526 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.419 5.263 -16.223 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.358 6.451 -18.655 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.128 5.664 -18.074 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.462 5.000 -17.630 1.00 0.00 H new ATOM 1318 N PRO A 85 0.065 3.248 -13.211 1.00 0.00 N ATOM 1319 CA PRO A 85 0.482 2.769 -11.895 1.00 0.00 C ATOM 1320 C PRO A 85 1.781 3.454 -11.435 1.00 0.00 C ATOM 1321 O PRO A 85 2.672 3.720 -12.249 1.00 0.00 O ATOM 1322 CB PRO A 85 0.652 1.256 -12.050 1.00 0.00 C ATOM 1323 CG PRO A 85 1.073 1.103 -13.512 1.00 0.00 C ATOM 1324 CD PRO A 85 0.300 2.218 -14.218 1.00 0.00 C ATOM 0 HA PRO A 85 -0.252 3.005 -11.125 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.408 0.863 -11.370 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.275 0.722 -11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.150 1.220 -13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.812 0.121 -13.905 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.870 2.616 -15.057 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.642 1.845 -14.621 1.00 0.00 H new ATOM 1332 N GLU A 86 1.898 3.740 -10.131 1.00 0.00 N ATOM 1333 CA GLU A 86 3.106 4.336 -9.562 1.00 0.00 C ATOM 1334 C GLU A 86 4.256 3.318 -9.564 1.00 0.00 C ATOM 1335 O GLU A 86 4.039 2.102 -9.631 1.00 0.00 O ATOM 1336 CB GLU A 86 2.836 4.957 -8.177 1.00 0.00 C ATOM 1337 CG GLU A 86 3.079 4.020 -6.992 1.00 0.00 C ATOM 1338 CD GLU A 86 2.809 4.753 -5.667 1.00 0.00 C ATOM 1339 OE1 GLU A 86 3.602 5.653 -5.302 1.00 0.00 O ATOM 1340 OE2 GLU A 86 1.794 4.446 -4.995 1.00 0.00 O ATOM 0 H GLU A 86 1.161 3.565 -9.448 1.00 0.00 H new ATOM 0 HA GLU A 86 3.420 5.167 -10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.468 5.838 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.802 5.300 -8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.431 3.147 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.107 3.657 -7.012 1.00 0.00 H new