USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 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 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 HIS : no HE2:sc=-0.00736 K(o=-0.0074,f=-2.8) USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.17) USER MOD Set 3.1: A 8 ASN : amide:sc= 1.42 K(o=1.9,f=-3.3) USER MOD Set 3.2: A 25 LYS NZ :NH3+ -155:sc= 0.445 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -37:sc= 0.267 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 13 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.2!) USER MOD Single : A 14 MET CE :methyl -175:sc=-0.00787 (180deg=-0.0651) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 32 CYS SG : rot 180:sc=-0.00132 USER MOD Single : A 33 ASN : amide:sc= 0.708 K(o=0.71,f=-6.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 1.29 (180deg=1.15) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -102:sc= 0.00825 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.35) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0995 X(o=-0.099,f=-0.12) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.155 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= -0.256 K(o=-0.26,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 6.524 10.297 -1.460 1.00 0.00 N ATOM 102 CA THR A 7 6.233 10.577 -2.857 1.00 0.00 C ATOM 103 C THR A 7 5.672 9.338 -3.571 1.00 0.00 C ATOM 104 O THR A 7 5.890 8.199 -3.144 1.00 0.00 O ATOM 105 CB THR A 7 7.509 11.146 -3.518 1.00 0.00 C ATOM 106 OG1 THR A 7 8.665 10.391 -3.175 1.00 0.00 O ATOM 107 CG2 THR A 7 7.765 12.575 -3.018 1.00 0.00 C ATOM 0 HA THR A 7 5.447 11.328 -2.938 1.00 0.00 H new ATOM 0 HB THR A 7 7.343 11.112 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.598 10.096 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.666 12.969 -3.488 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.915 13.208 -3.274 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.896 12.564 -1.936 1.00 0.00 H new ATOM 115 N ASN A 8 4.943 9.570 -4.664 1.00 0.00 N ATOM 116 CA ASN A 8 4.422 8.528 -5.553 1.00 0.00 C ATOM 117 C ASN A 8 5.152 8.673 -6.878 1.00 0.00 C ATOM 118 O ASN A 8 5.337 9.800 -7.352 1.00 0.00 O ATOM 119 CB ASN A 8 2.902 8.657 -5.741 1.00 0.00 C ATOM 120 CG ASN A 8 2.116 8.400 -4.462 1.00 0.00 C ATOM 121 OD1 ASN A 8 1.549 9.320 -3.884 1.00 0.00 O ATOM 122 ND2 ASN A 8 2.076 7.180 -3.959 1.00 0.00 N ATOM 0 H ASN A 8 4.692 10.512 -4.964 1.00 0.00 H new ATOM 0 HA ASN A 8 4.592 7.541 -5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.671 9.657 -6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.576 7.954 -6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.573 7.003 -3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.548 6.414 -4.440 1.00 0.00 H new ATOM 129 N THR A 9 5.537 7.544 -7.467 1.00 0.00 N ATOM 130 CA THR A 9 6.189 7.490 -8.767 1.00 0.00 C ATOM 131 C THR A 9 5.305 6.661 -9.687 1.00 0.00 C ATOM 132 O THR A 9 4.739 5.652 -9.266 1.00 0.00 O ATOM 133 CB THR A 9 7.616 6.913 -8.637 1.00 0.00 C ATOM 134 OG1 THR A 9 8.369 7.710 -7.736 1.00 0.00 O ATOM 135 CG2 THR A 9 8.347 6.761 -9.984 1.00 0.00 C ATOM 0 H THR A 9 5.401 6.626 -7.044 1.00 0.00 H new ATOM 0 HA THR A 9 6.308 8.488 -9.189 1.00 0.00 H new ATOM 0 HB THR A 9 7.517 5.901 -8.245 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.274 7.343 -7.652 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.342 6.350 -9.814 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.783 6.089 -10.630 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.434 7.736 -10.463 1.00 0.00 H new ATOM 143 N TRP A 10 5.229 7.054 -10.954 1.00 0.00 N ATOM 144 CA TRP A 10 4.503 6.358 -11.999 1.00 0.00 C ATOM 145 C TRP A 10 5.421 6.256 -13.205 1.00 0.00 C ATOM 146 O TRP A 10 6.285 7.112 -13.389 1.00 0.00 O ATOM 147 CB TRP A 10 3.231 7.147 -12.338 1.00 0.00 C ATOM 148 CG TRP A 10 2.272 7.342 -11.205 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.255 6.520 -10.880 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.173 8.458 -10.275 1.00 0.00 C ATOM 151 NE1 TRP A 10 0.582 7.007 -9.778 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.062 8.245 -9.408 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.887 9.658 -10.122 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.657 9.198 -8.463 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.474 10.635 -9.199 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.356 10.415 -8.375 1.00 0.00 C ATOM 0 H TRP A 10 5.691 7.899 -11.289 1.00 0.00 H new ATOM 0 HA TRP A 10 4.205 5.359 -11.682 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.522 8.127 -12.717 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.711 6.634 -13.147 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.003 5.611 -11.406 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.172 6.515 -9.300 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.767 9.833 -10.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.181 9.000 -7.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 3.021 11.563 -9.122 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.036 11.176 -7.679 1.00 0.00 H new ATOM 167 N VAL A 11 5.232 5.240 -14.036 1.00 0.00 N ATOM 168 CA VAL A 11 5.872 5.139 -15.336 1.00 0.00 C ATOM 169 C VAL A 11 4.792 5.283 -16.408 1.00 0.00 C ATOM 170 O VAL A 11 3.680 4.778 -16.245 1.00 0.00 O ATOM 171 CB VAL A 11 6.749 3.875 -15.438 1.00 0.00 C ATOM 172 CG1 VAL A 11 5.952 2.565 -15.352 1.00 0.00 C ATOM 173 CG2 VAL A 11 7.602 3.891 -16.721 1.00 0.00 C ATOM 0 H VAL A 11 4.620 4.453 -13.821 1.00 0.00 H new ATOM 0 HA VAL A 11 6.585 5.948 -15.493 1.00 0.00 H new ATOM 0 HB VAL A 11 7.404 3.903 -14.567 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.634 1.718 -15.431 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.427 2.520 -14.398 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.228 2.525 -16.166 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.210 2.987 -16.765 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.948 3.932 -17.592 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.252 4.766 -16.715 1.00 0.00 H new ATOM 183 N LEU A 12 5.116 5.983 -17.497 1.00 0.00 N ATOM 184 CA LEU A 12 4.258 6.146 -18.661 1.00 0.00 C ATOM 185 C LEU A 12 5.033 5.670 -19.869 1.00 0.00 C ATOM 186 O LEU A 12 6.071 6.248 -20.184 1.00 0.00 O ATOM 187 CB LEU A 12 3.874 7.622 -18.856 1.00 0.00 C ATOM 188 CG LEU A 12 3.067 8.251 -17.719 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.849 9.734 -18.048 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.735 7.518 -17.560 1.00 0.00 C ATOM 0 H LEU A 12 6.010 6.464 -17.591 1.00 0.00 H new ATOM 0 HA LEU A 12 3.341 5.572 -18.526 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.787 8.201 -18.993 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.299 7.710 -19.778 1.00 0.00 H new ATOM 0 HG LEU A 12 3.605 8.167 -16.774 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.275 10.203 -17.249 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.814 10.232 -18.141 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.303 9.822 -18.987 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.165 7.971 -16.749 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.167 7.591 -18.487 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.922 6.469 -17.331 1.00 0.00 H new ATOM 202 N HIS A 13 4.524 4.655 -20.557 1.00 0.00 N ATOM 203 CA HIS A 13 5.050 4.251 -21.846 1.00 0.00 C ATOM 204 C HIS A 13 4.238 5.002 -22.903 1.00 0.00 C ATOM 205 O HIS A 13 3.028 4.782 -23.004 1.00 0.00 O ATOM 206 CB HIS A 13 4.983 2.725 -22.000 1.00 0.00 C ATOM 207 CG HIS A 13 5.595 2.193 -23.275 1.00 0.00 C ATOM 208 ND1 HIS A 13 6.638 2.744 -23.992 1.00 0.00 N ATOM 209 CD2 HIS A 13 5.248 1.027 -23.909 1.00 0.00 C ATOM 210 CE1 HIS A 13 6.913 1.925 -25.023 1.00 0.00 C ATOM 211 NE2 HIS A 13 6.087 0.861 -25.019 1.00 0.00 N ATOM 0 H HIS A 13 3.737 4.093 -20.234 1.00 0.00 H new ATOM 0 HA HIS A 13 6.105 4.504 -21.956 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.488 2.265 -21.151 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.939 2.414 -21.957 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.116 3.619 -23.778 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.462 0.352 -23.604 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.689 2.097 -25.754 1.00 0.00 H new ATOM 219 N MET A 14 4.869 5.920 -23.642 1.00 0.00 N ATOM 220 CA MET A 14 4.217 6.776 -24.625 1.00 0.00 C ATOM 221 C MET A 14 5.189 7.025 -25.776 1.00 0.00 C ATOM 222 O MET A 14 6.369 7.274 -25.539 1.00 0.00 O ATOM 223 CB MET A 14 3.780 8.120 -24.004 1.00 0.00 C ATOM 224 CG MET A 14 2.804 7.970 -22.828 1.00 0.00 C ATOM 225 SD MET A 14 2.097 9.505 -22.160 1.00 0.00 S ATOM 226 CE MET A 14 3.585 10.459 -21.756 1.00 0.00 C ATOM 0 H MET A 14 5.872 6.089 -23.568 1.00 0.00 H new ATOM 0 HA MET A 14 3.319 6.275 -24.987 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.665 8.657 -23.663 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.313 8.732 -24.776 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.984 7.326 -23.146 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.321 7.452 -22.020 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.299 11.385 -21.256 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.225 9.873 -21.096 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.127 10.694 -22.672 1.00 0.00 H new ATOM 236 N ASP A 15 4.696 6.967 -27.017 1.00 0.00 N ATOM 237 CA ASP A 15 5.455 7.251 -28.244 1.00 0.00 C ATOM 238 C ASP A 15 6.794 6.494 -28.315 1.00 0.00 C ATOM 239 O ASP A 15 7.819 7.018 -28.762 1.00 0.00 O ATOM 240 CB ASP A 15 5.567 8.768 -28.477 1.00 0.00 C ATOM 241 CG ASP A 15 6.118 9.106 -29.879 1.00 0.00 C ATOM 242 OD1 ASP A 15 5.675 8.491 -30.881 1.00 0.00 O ATOM 243 OD2 ASP A 15 6.947 10.042 -29.996 1.00 0.00 O ATOM 0 H ASP A 15 3.726 6.713 -27.204 1.00 0.00 H new ATOM 0 HA ASP A 15 4.891 6.852 -29.087 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.585 9.226 -28.355 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.218 9.203 -27.719 1.00 0.00 H new ATOM 248 N GLY A 16 6.792 5.243 -27.836 1.00 0.00 N ATOM 249 CA GLY A 16 7.959 4.362 -27.838 1.00 0.00 C ATOM 250 C GLY A 16 8.974 4.662 -26.727 1.00 0.00 C ATOM 251 O GLY A 16 9.943 3.912 -26.580 1.00 0.00 O ATOM 0 H GLY A 16 5.962 4.811 -27.430 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.622 3.330 -27.738 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.459 4.442 -28.803 1.00 0.00 H new ATOM 255 N GLU A 17 8.768 5.711 -25.928 1.00 0.00 N ATOM 256 CA GLU A 17 9.596 6.095 -24.798 1.00 0.00 C ATOM 257 C GLU A 17 8.940 5.646 -23.490 1.00 0.00 C ATOM 258 O GLU A 17 7.756 5.304 -23.458 1.00 0.00 O ATOM 259 CB GLU A 17 9.873 7.610 -24.820 1.00 0.00 C ATOM 260 CG GLU A 17 10.940 7.958 -25.863 1.00 0.00 C ATOM 261 CD GLU A 17 11.316 9.451 -25.830 1.00 0.00 C ATOM 262 OE1 GLU A 17 12.260 9.822 -25.088 1.00 0.00 O ATOM 263 OE2 GLU A 17 10.706 10.260 -26.573 1.00 0.00 O ATOM 0 H GLU A 17 7.979 6.343 -26.064 1.00 0.00 H new ATOM 0 HA GLU A 17 10.561 5.593 -24.871 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.952 8.148 -25.043 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.203 7.937 -23.834 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.831 7.356 -25.684 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.574 7.699 -26.856 1.00 0.00 H new ATOM 270 N ASN A 18 9.713 5.646 -22.403 1.00 0.00 N ATOM 271 CA ASN A 18 9.233 5.450 -21.044 1.00 0.00 C ATOM 272 C ASN A 18 9.614 6.686 -20.239 1.00 0.00 C ATOM 273 O ASN A 18 10.792 7.046 -20.178 1.00 0.00 O ATOM 274 CB ASN A 18 9.793 4.166 -20.409 1.00 0.00 C ATOM 275 CG ASN A 18 8.929 2.957 -20.753 1.00 0.00 C ATOM 276 OD1 ASN A 18 8.010 2.616 -20.017 1.00 0.00 O ATOM 277 ND2 ASN A 18 9.177 2.304 -21.878 1.00 0.00 N ATOM 0 H ASN A 18 10.722 5.787 -22.451 1.00 0.00 H new ATOM 0 HA ASN A 18 8.151 5.322 -21.052 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.812 3.999 -20.758 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.843 4.284 -19.327 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.600 1.506 -22.142 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.945 2.599 -22.480 1.00 0.00 H new ATOM 284 N PHE A 19 8.619 7.319 -19.621 1.00 0.00 N ATOM 285 CA PHE A 19 8.773 8.509 -18.791 1.00 0.00 C ATOM 286 C PHE A 19 8.502 8.123 -17.346 1.00 0.00 C ATOM 287 O PHE A 19 7.494 7.472 -17.072 1.00 0.00 O ATOM 288 CB PHE A 19 7.803 9.613 -19.248 1.00 0.00 C ATOM 289 CG PHE A 19 7.961 10.031 -20.697 1.00 0.00 C ATOM 290 CD1 PHE A 19 7.288 9.328 -21.714 1.00 0.00 C ATOM 291 CD2 PHE A 19 8.796 11.115 -21.030 1.00 0.00 C ATOM 292 CE1 PHE A 19 7.480 9.683 -23.061 1.00 0.00 C ATOM 293 CE2 PHE A 19 8.986 11.467 -22.379 1.00 0.00 C ATOM 294 CZ PHE A 19 8.338 10.744 -23.395 1.00 0.00 C ATOM 0 H PHE A 19 7.651 7.006 -19.687 1.00 0.00 H new ATOM 0 HA PHE A 19 9.786 8.899 -18.885 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.781 9.268 -19.092 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.944 10.488 -18.614 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.624 8.515 -21.460 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.290 11.676 -20.250 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.967 9.139 -23.840 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.631 12.295 -22.634 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.499 11.004 -24.431 1.00 0.00 H new ATOM 304 N ARG A 20 9.361 8.525 -16.410 1.00 0.00 N ATOM 305 CA ARG A 20 9.100 8.411 -14.982 1.00 0.00 C ATOM 306 C ARG A 20 8.464 9.721 -14.544 1.00 0.00 C ATOM 307 O ARG A 20 8.993 10.785 -14.860 1.00 0.00 O ATOM 308 CB ARG A 20 10.393 8.100 -14.194 1.00 0.00 C ATOM 309 CG ARG A 20 10.278 6.850 -13.305 1.00 0.00 C ATOM 310 CD ARG A 20 10.182 5.526 -14.081 1.00 0.00 C ATOM 311 NE ARG A 20 11.379 5.282 -14.914 1.00 0.00 N ATOM 312 CZ ARG A 20 12.521 4.689 -14.532 1.00 0.00 C ATOM 313 NH1 ARG A 20 12.682 4.243 -13.289 1.00 0.00 N ATOM 314 NH2 ARG A 20 13.512 4.545 -15.407 1.00 0.00 N ATOM 0 H ARG A 20 10.266 8.943 -16.628 1.00 0.00 H new ATOM 0 HA ARG A 20 8.427 7.579 -14.776 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.215 7.963 -14.897 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.646 8.958 -13.571 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.144 6.808 -12.644 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.397 6.950 -12.670 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.056 4.703 -13.378 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.296 5.542 -14.716 1.00 0.00 H new ATOM 0 HE ARG A 20 11.332 5.598 -15.883 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.930 4.349 -12.608 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.557 3.795 -13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.402 4.884 -16.363 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.382 4.095 -15.123 1.00 0.00 H new ATOM 328 N ILE A 21 7.369 9.653 -13.803 1.00 0.00 N ATOM 329 CA ILE A 21 6.717 10.774 -13.157 1.00 0.00 C ATOM 330 C ILE A 21 6.960 10.572 -11.676 1.00 0.00 C ATOM 331 O ILE A 21 6.716 9.469 -11.199 1.00 0.00 O ATOM 332 CB ILE A 21 5.205 10.781 -13.460 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.934 10.864 -14.973 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.428 11.865 -12.680 1.00 0.00 C ATOM 335 CD1 ILE A 21 5.409 12.141 -15.668 1.00 0.00 C ATOM 0 H ILE A 21 6.890 8.769 -13.629 1.00 0.00 H new ATOM 0 HA ILE A 21 7.108 11.728 -13.512 1.00 0.00 H new ATOM 0 HB ILE A 21 4.821 9.826 -13.102 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.412 10.012 -15.455 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.861 10.762 -15.136 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.371 11.813 -12.941 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.546 11.698 -11.609 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.818 12.849 -12.939 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.166 12.090 -16.729 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.912 13.003 -15.223 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.488 12.241 -15.547 1.00 0.00 H new ATOM 347 N VAL A 22 7.351 11.602 -10.939 1.00 0.00 N ATOM 348 CA VAL A 22 7.398 11.572 -9.495 1.00 0.00 C ATOM 349 C VAL A 22 6.673 12.829 -9.035 1.00 0.00 C ATOM 350 O VAL A 22 7.054 13.935 -9.413 1.00 0.00 O ATOM 351 CB VAL A 22 8.849 11.474 -8.977 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.858 11.264 -7.454 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.643 10.339 -9.635 1.00 0.00 C ATOM 0 H VAL A 22 7.648 12.492 -11.339 1.00 0.00 H new ATOM 0 HA VAL A 22 6.911 10.687 -9.086 1.00 0.00 H new ATOM 0 HB VAL A 22 9.331 12.416 -9.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.887 11.197 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.363 12.104 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.330 10.342 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.655 10.321 -9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.153 9.387 -9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.686 10.502 -10.712 1.00 0.00 H new ATOM 363 N LEU A 23 5.619 12.675 -8.238 1.00 0.00 N ATOM 364 CA LEU A 23 4.994 13.814 -7.567 1.00 0.00 C ATOM 365 C LEU A 23 5.716 14.026 -6.243 1.00 0.00 C ATOM 366 O LEU A 23 5.745 13.114 -5.415 1.00 0.00 O ATOM 367 CB LEU A 23 3.496 13.538 -7.314 1.00 0.00 C ATOM 368 CG LEU A 23 2.847 14.430 -6.219 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.846 15.922 -6.555 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.416 14.002 -5.890 1.00 0.00 C ATOM 0 H LEU A 23 5.180 11.776 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 23 5.069 14.704 -8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.952 13.679 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.376 12.493 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 23 3.484 14.280 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.377 16.477 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.872 16.266 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.289 16.087 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.008 14.657 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.801 14.070 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.418 12.974 -5.528 1.00 0.00 H new ATOM 382 N GLU A 24 6.248 15.225 -6.024 1.00 0.00 N ATOM 383 CA GLU A 24 6.748 15.672 -4.745 1.00 0.00 C ATOM 384 C GLU A 24 5.569 16.287 -3.999 1.00 0.00 C ATOM 385 O GLU A 24 5.038 17.325 -4.404 1.00 0.00 O ATOM 386 CB GLU A 24 7.914 16.657 -4.927 1.00 0.00 C ATOM 387 CG GLU A 24 9.187 16.096 -4.299 1.00 0.00 C ATOM 388 CD GLU A 24 9.159 16.025 -2.752 1.00 0.00 C ATOM 389 OE1 GLU A 24 8.060 15.973 -2.148 1.00 0.00 O ATOM 390 OE2 GLU A 24 10.258 16.003 -2.149 1.00 0.00 O ATOM 0 H GLU A 24 6.342 15.927 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 24 7.155 14.844 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.077 16.846 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.665 17.614 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.362 15.095 -4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.032 16.712 -4.607 1.00 0.00 H new ATOM 397 N LYS A 25 5.136 15.655 -2.907 1.00 0.00 N ATOM 398 CA LYS A 25 4.012 16.147 -2.113 1.00 0.00 C ATOM 399 C LYS A 25 4.433 17.342 -1.266 1.00 0.00 C ATOM 400 O LYS A 25 3.567 18.086 -0.811 1.00 0.00 O ATOM 401 CB LYS A 25 3.469 15.031 -1.216 1.00 0.00 C ATOM 402 CG LYS A 25 2.784 13.934 -2.043 1.00 0.00 C ATOM 403 CD LYS A 25 2.338 12.795 -1.127 1.00 0.00 C ATOM 404 CE LYS A 25 1.673 11.688 -1.955 1.00 0.00 C ATOM 405 NZ LYS A 25 1.557 10.408 -1.202 1.00 0.00 N ATOM 0 H LYS A 25 5.552 14.794 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 25 3.225 16.468 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.285 14.597 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.759 15.448 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.924 14.347 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.470 13.556 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.196 12.393 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.640 13.171 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.681 12.016 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.251 11.521 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.513 9.614 -1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.385 10.293 -0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.692 10.422 -0.625 1.00 0.00 H new ATOM 419 N ASP A 26 5.741 17.541 -1.059 1.00 0.00 N ATOM 420 CA ASP A 26 6.242 18.615 -0.208 1.00 0.00 C ATOM 421 C ASP A 26 5.850 19.989 -0.759 1.00 0.00 C ATOM 422 O ASP A 26 5.519 20.893 0.017 1.00 0.00 O ATOM 423 CB ASP A 26 7.764 18.521 -0.083 1.00 0.00 C ATOM 424 CG ASP A 26 8.307 19.593 0.874 1.00 0.00 C ATOM 425 OD1 ASP A 26 8.265 19.363 2.107 1.00 0.00 O ATOM 426 OD2 ASP A 26 8.820 20.638 0.405 1.00 0.00 O ATOM 0 H ASP A 26 6.472 16.964 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 26 5.790 18.501 0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.042 17.531 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.221 18.641 -1.065 1.00 0.00 H new ATOM 431 N ALA A 27 5.832 20.120 -2.094 1.00 0.00 N ATOM 432 CA ALA A 27 5.490 21.335 -2.813 1.00 0.00 C ATOM 433 C ALA A 27 4.330 21.151 -3.810 1.00 0.00 C ATOM 434 O ALA A 27 3.958 22.126 -4.468 1.00 0.00 O ATOM 435 CB ALA A 27 6.750 21.871 -3.508 1.00 0.00 C ATOM 0 H ALA A 27 6.066 19.347 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 27 5.127 22.063 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.505 22.784 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.514 22.087 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.127 21.123 -4.206 1.00 0.00 H new ATOM 441 N MET A 28 3.757 19.939 -3.929 1.00 0.00 N ATOM 442 CA MET A 28 2.808 19.592 -4.994 1.00 0.00 C ATOM 443 C MET A 28 3.423 19.949 -6.358 1.00 0.00 C ATOM 444 O MET A 28 2.818 20.627 -7.193 1.00 0.00 O ATOM 445 CB MET A 28 1.389 20.142 -4.716 1.00 0.00 C ATOM 446 CG MET A 28 0.485 19.092 -4.075 1.00 0.00 C ATOM 447 SD MET A 28 0.049 17.750 -5.219 1.00 0.00 S ATOM 448 CE MET A 28 -1.399 17.101 -4.364 1.00 0.00 C ATOM 0 H MET A 28 3.943 19.171 -3.284 1.00 0.00 H new ATOM 0 HA MET A 28 2.639 18.515 -5.018 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.458 21.010 -4.060 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.943 20.483 -5.650 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.985 18.672 -3.202 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.427 19.572 -3.720 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.807 16.261 -4.926 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.113 16.766 -3.367 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.154 17.883 -4.281 1.00 0.00 H new ATOM 458 N ASP A 29 4.670 19.508 -6.556 1.00 0.00 N ATOM 459 CA ASP A 29 5.468 19.750 -7.754 1.00 0.00 C ATOM 460 C ASP A 29 5.765 18.404 -8.397 1.00 0.00 C ATOM 461 O ASP A 29 5.971 17.425 -7.680 1.00 0.00 O ATOM 462 CB ASP A 29 6.772 20.483 -7.411 1.00 0.00 C ATOM 463 CG ASP A 29 7.503 21.027 -8.649 1.00 0.00 C ATOM 464 OD1 ASP A 29 6.864 21.223 -9.707 1.00 0.00 O ATOM 465 OD2 ASP A 29 8.718 21.322 -8.532 1.00 0.00 O ATOM 0 H ASP A 29 5.166 18.953 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 29 4.915 20.387 -8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.550 21.309 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.434 19.802 -6.876 1.00 0.00 H new ATOM 470 N VAL A 30 5.770 18.313 -9.722 1.00 0.00 N ATOM 471 CA VAL A 30 5.825 17.028 -10.410 1.00 0.00 C ATOM 472 C VAL A 30 7.038 17.012 -11.329 1.00 0.00 C ATOM 473 O VAL A 30 7.162 17.818 -12.256 1.00 0.00 O ATOM 474 CB VAL A 30 4.491 16.734 -11.119 1.00 0.00 C ATOM 475 CG1 VAL A 30 4.512 15.386 -11.854 1.00 0.00 C ATOM 476 CG2 VAL A 30 3.299 16.745 -10.151 1.00 0.00 C ATOM 0 H VAL A 30 5.736 19.120 -10.345 1.00 0.00 H new ATOM 0 HA VAL A 30 5.954 16.212 -9.698 1.00 0.00 H new ATOM 0 HB VAL A 30 4.368 17.539 -11.844 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.550 15.221 -12.339 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.301 15.394 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.700 14.585 -11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.382 16.532 -10.701 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.447 15.985 -9.383 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.221 17.725 -9.681 1.00 0.00 H new ATOM 486 N TRP A 31 7.925 16.060 -11.064 1.00 0.00 N ATOM 487 CA TRP A 31 9.096 15.743 -11.844 1.00 0.00 C ATOM 488 C TRP A 31 8.704 14.772 -12.958 1.00 0.00 C ATOM 489 O TRP A 31 8.082 13.750 -12.675 1.00 0.00 O ATOM 490 CB TRP A 31 10.135 15.091 -10.913 1.00 0.00 C ATOM 491 CG TRP A 31 10.326 15.720 -9.560 1.00 0.00 C ATOM 492 CD1 TRP A 31 9.814 15.287 -8.386 1.00 0.00 C ATOM 493 CD2 TRP A 31 11.113 16.894 -9.216 1.00 0.00 C ATOM 494 NE1 TRP A 31 10.253 16.092 -7.359 1.00 0.00 N ATOM 495 CE2 TRP A 31 11.075 17.095 -7.808 1.00 0.00 C ATOM 496 CE3 TRP A 31 11.876 17.797 -9.967 1.00 0.00 C ATOM 497 CZ2 TRP A 31 11.780 18.130 -7.174 1.00 0.00 C ATOM 498 CZ3 TRP A 31 12.618 18.821 -9.349 1.00 0.00 C ATOM 499 CH2 TRP A 31 12.571 18.990 -7.951 1.00 0.00 C ATOM 0 H TRP A 31 7.832 15.457 -10.247 1.00 0.00 H new ATOM 0 HA TRP A 31 9.518 16.643 -12.291 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.852 14.049 -10.766 1.00 0.00 H new ATOM 0 HB3 TRP A 31 11.097 15.090 -11.426 1.00 0.00 H new ATOM 0 HD1 TRP A 31 9.158 14.436 -8.271 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.998 15.959 -6.381 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.895 17.706 -11.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.715 18.262 -6.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.227 19.481 -9.950 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.141 19.777 -7.480 1.00 0.00 H new ATOM 510 N CYS A 32 9.069 15.057 -14.206 1.00 0.00 N ATOM 511 CA CYS A 32 8.984 14.125 -15.318 1.00 0.00 C ATOM 512 C CYS A 32 10.424 13.943 -15.793 1.00 0.00 C ATOM 513 O CYS A 32 11.086 14.924 -16.140 1.00 0.00 O ATOM 514 CB CYS A 32 8.047 14.670 -16.397 1.00 0.00 C ATOM 515 SG CYS A 32 7.942 13.508 -17.789 1.00 0.00 S ATOM 0 H CYS A 32 9.441 15.968 -14.474 1.00 0.00 H new ATOM 0 HA CYS A 32 8.557 13.161 -15.042 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.055 14.835 -15.977 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.409 15.636 -16.748 1.00 0.00 H new ATOM 0 HG CYS A 32 7.141 13.986 -18.694 1.00 0.00 H new ATOM 521 N ASN A 33 10.932 12.707 -15.737 1.00 0.00 N ATOM 522 CA ASN A 33 12.336 12.360 -16.000 1.00 0.00 C ATOM 523 C ASN A 33 13.304 13.290 -15.243 1.00 0.00 C ATOM 524 O ASN A 33 14.312 13.741 -15.787 1.00 0.00 O ATOM 525 CB ASN A 33 12.617 12.243 -17.517 1.00 0.00 C ATOM 526 CG ASN A 33 12.011 10.997 -18.158 1.00 0.00 C ATOM 527 OD1 ASN A 33 11.407 10.159 -17.494 1.00 0.00 O ATOM 528 ND2 ASN A 33 12.164 10.828 -19.460 1.00 0.00 N ATOM 0 H ASN A 33 10.362 11.895 -15.500 1.00 0.00 H new ATOM 0 HA ASN A 33 12.525 11.365 -15.596 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.225 13.127 -18.020 1.00 0.00 H new ATOM 0 HB3 ASN A 33 13.695 12.237 -17.679 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.780 10.000 -19.915 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.666 11.526 -20.009 1.00 0.00 H new ATOM 535 N GLY A 34 12.980 13.601 -13.980 1.00 0.00 N ATOM 536 CA GLY A 34 13.845 14.357 -13.073 1.00 0.00 C ATOM 537 C GLY A 34 13.810 15.879 -13.254 1.00 0.00 C ATOM 538 O GLY A 34 14.375 16.586 -12.417 1.00 0.00 O ATOM 0 H GLY A 34 12.093 13.328 -13.556 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.562 14.123 -12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.871 14.015 -13.206 1.00 0.00 H new ATOM 542 N LYS A 35 13.135 16.411 -14.282 1.00 0.00 N ATOM 543 CA LYS A 35 12.933 17.854 -14.466 1.00 0.00 C ATOM 544 C LYS A 35 11.514 18.179 -14.021 1.00 0.00 C ATOM 545 O LYS A 35 10.607 17.412 -14.341 1.00 0.00 O ATOM 546 CB LYS A 35 13.162 18.238 -15.939 1.00 0.00 C ATOM 547 CG LYS A 35 14.614 17.996 -16.383 1.00 0.00 C ATOM 548 CD LYS A 35 14.791 18.348 -17.867 1.00 0.00 C ATOM 549 CE LYS A 35 16.207 18.057 -18.389 1.00 0.00 C ATOM 550 NZ LYS A 35 17.244 18.971 -17.832 1.00 0.00 N ATOM 0 H LYS A 35 12.710 15.845 -15.017 1.00 0.00 H new ATOM 0 HA LYS A 35 13.645 18.427 -13.872 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.489 17.660 -16.572 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.910 19.289 -16.082 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.290 18.599 -15.777 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.882 16.953 -16.217 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.069 17.783 -18.457 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.566 19.404 -18.013 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.472 17.028 -18.145 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.209 18.137 -19.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.174 18.721 -18.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.014 19.953 -18.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.269 18.878 -16.796 1.00 0.00 H new ATOM 564 N LYS A 36 11.276 19.279 -13.293 1.00 0.00 N ATOM 565 CA LYS A 36 9.895 19.631 -12.967 1.00 0.00 C ATOM 566 C LYS A 36 9.185 20.160 -14.208 1.00 0.00 C ATOM 567 O LYS A 36 9.821 20.794 -15.056 1.00 0.00 O ATOM 568 CB LYS A 36 9.712 20.485 -11.701 1.00 0.00 C ATOM 569 CG LYS A 36 9.895 22.011 -11.812 1.00 0.00 C ATOM 570 CD LYS A 36 11.321 22.528 -11.565 1.00 0.00 C ATOM 571 CE LYS A 36 11.869 22.257 -10.149 1.00 0.00 C ATOM 572 NZ LYS A 36 11.010 22.803 -9.062 1.00 0.00 N ATOM 0 H LYS A 36 11.989 19.913 -12.934 1.00 0.00 H new ATOM 0 HA LYS A 36 9.394 18.710 -12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.709 20.298 -11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.414 20.120 -10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.581 22.325 -12.807 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.225 22.492 -11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.990 22.069 -12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.340 23.602 -11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.976 21.181 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.866 22.690 -10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.550 22.831 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.704 23.765 -9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.175 22.195 -8.940 1.00 0.00 H new ATOM 586 N LEU A 37 7.882 19.904 -14.306 1.00 0.00 N ATOM 587 CA LEU A 37 7.005 20.425 -15.346 1.00 0.00 C ATOM 588 C LEU A 37 5.926 21.318 -14.732 1.00 0.00 C ATOM 589 O LEU A 37 5.775 21.390 -13.510 1.00 0.00 O ATOM 590 CB LEU A 37 6.465 19.315 -16.269 1.00 0.00 C ATOM 591 CG LEU A 37 5.840 18.102 -15.570 1.00 0.00 C ATOM 592 CD1 LEU A 37 4.562 18.399 -14.789 1.00 0.00 C ATOM 593 CD2 LEU A 37 5.535 17.026 -16.614 1.00 0.00 C ATOM 0 H LEU A 37 7.393 19.307 -13.639 1.00 0.00 H new ATOM 0 HA LEU A 37 7.589 21.061 -16.011 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.718 19.752 -16.931 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.283 18.965 -16.899 1.00 0.00 H new ATOM 0 HG LEU A 37 6.576 17.772 -14.837 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.194 17.481 -14.330 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.773 19.134 -14.012 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.805 18.794 -15.466 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.090 16.160 -16.124 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.839 17.423 -17.353 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.459 16.728 -17.110 1.00 0.00 H new ATOM 605 N GLU A 38 5.213 22.038 -15.595 1.00 0.00 N ATOM 606 CA GLU A 38 4.162 22.966 -15.209 1.00 0.00 C ATOM 607 C GLU A 38 2.931 22.196 -14.724 1.00 0.00 C ATOM 608 O GLU A 38 2.608 21.133 -15.257 1.00 0.00 O ATOM 609 CB GLU A 38 3.829 23.922 -16.366 1.00 0.00 C ATOM 610 CG GLU A 38 3.255 23.218 -17.608 1.00 0.00 C ATOM 611 CD GLU A 38 3.085 24.205 -18.778 1.00 0.00 C ATOM 612 OE1 GLU A 38 2.031 24.884 -18.858 1.00 0.00 O ATOM 613 OE2 GLU A 38 4.000 24.302 -19.634 1.00 0.00 O ATOM 0 H GLU A 38 5.356 21.989 -16.604 1.00 0.00 H new ATOM 0 HA GLU A 38 4.514 23.580 -14.380 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.111 24.664 -16.017 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.732 24.461 -16.651 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.917 22.405 -17.907 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.292 22.771 -17.363 1.00 0.00 H new ATOM 620 N THR A 39 2.226 22.752 -13.741 1.00 0.00 N ATOM 621 CA THR A 39 1.060 22.139 -13.111 1.00 0.00 C ATOM 622 C THR A 39 0.021 23.216 -12.778 1.00 0.00 C ATOM 623 O THR A 39 0.377 24.368 -12.506 1.00 0.00 O ATOM 624 CB THR A 39 1.473 21.347 -11.851 1.00 0.00 C ATOM 625 OG1 THR A 39 2.554 21.938 -11.137 1.00 0.00 O ATOM 626 CG2 THR A 39 1.872 19.911 -12.205 1.00 0.00 C ATOM 0 H THR A 39 2.457 23.666 -13.351 1.00 0.00 H new ATOM 0 HA THR A 39 0.610 21.432 -13.808 1.00 0.00 H new ATOM 0 HB THR A 39 0.591 21.358 -11.211 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.765 21.391 -10.352 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.158 19.379 -11.298 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.028 19.404 -12.673 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.714 19.927 -12.897 1.00 0.00 H new ATOM 634 N ALA A 40 -1.256 22.829 -12.768 1.00 0.00 N ATOM 635 CA ALA A 40 -2.367 23.628 -12.268 1.00 0.00 C ATOM 636 C ALA A 40 -3.158 22.729 -11.326 1.00 0.00 C ATOM 637 O ALA A 40 -3.367 21.563 -11.652 1.00 0.00 O ATOM 638 CB ALA A 40 -3.235 24.138 -13.423 1.00 0.00 C ATOM 0 H ALA A 40 -1.551 21.919 -13.121 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.012 24.514 -11.742 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.058 24.732 -13.025 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.630 24.755 -14.088 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.635 23.290 -13.979 1.00 0.00 H new ATOM 644 N GLY A 41 -3.568 23.240 -10.167 1.00 0.00 N ATOM 645 CA GLY A 41 -4.243 22.468 -9.135 1.00 0.00 C ATOM 646 C GLY A 41 -5.712 22.840 -9.189 1.00 0.00 C ATOM 647 O GLY A 41 -6.103 23.875 -8.645 1.00 0.00 O ATOM 0 H GLY A 41 -3.436 24.220 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.110 21.399 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.825 22.690 -8.153 1.00 0.00 H new ATOM 651 N GLU A 42 -6.510 22.037 -9.889 1.00 0.00 N ATOM 652 CA GLU A 42 -7.939 22.238 -9.979 1.00 0.00 C ATOM 653 C GLU A 42 -8.604 21.544 -8.791 1.00 0.00 C ATOM 654 O GLU A 42 -8.146 20.484 -8.357 1.00 0.00 O ATOM 655 CB GLU A 42 -8.430 21.689 -11.322 1.00 0.00 C ATOM 656 CG GLU A 42 -9.916 21.898 -11.597 1.00 0.00 C ATOM 657 CD GLU A 42 -10.321 23.385 -11.571 1.00 0.00 C ATOM 658 OE1 GLU A 42 -10.538 23.939 -10.467 1.00 0.00 O ATOM 659 OE2 GLU A 42 -10.426 24.007 -12.656 1.00 0.00 O ATOM 0 H GLU A 42 -6.174 21.227 -10.409 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.198 23.296 -9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.858 22.160 -12.121 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.215 20.621 -11.362 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.165 21.475 -12.570 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.499 21.354 -10.854 1.00 0.00 H new ATOM 666 N PHE A 43 -9.692 22.115 -8.283 1.00 0.00 N ATOM 667 CA PHE A 43 -10.458 21.552 -7.179 1.00 0.00 C ATOM 668 C PHE A 43 -11.813 21.097 -7.710 1.00 0.00 C ATOM 669 O PHE A 43 -12.471 21.823 -8.463 1.00 0.00 O ATOM 670 CB PHE A 43 -10.591 22.555 -6.026 1.00 0.00 C ATOM 671 CG PHE A 43 -9.271 22.893 -5.361 1.00 0.00 C ATOM 672 CD1 PHE A 43 -8.675 21.977 -4.471 1.00 0.00 C ATOM 673 CD2 PHE A 43 -8.622 24.110 -5.643 1.00 0.00 C ATOM 674 CE1 PHE A 43 -7.446 22.283 -3.860 1.00 0.00 C ATOM 675 CE2 PHE A 43 -7.390 24.412 -5.036 1.00 0.00 C ATOM 676 CZ PHE A 43 -6.802 23.500 -4.142 1.00 0.00 C ATOM 0 H PHE A 43 -10.071 22.995 -8.633 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.935 20.689 -6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.044 23.472 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.272 22.148 -5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.163 21.038 -4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.072 24.814 -6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.996 21.582 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.895 25.346 -5.257 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.858 23.734 -3.673 1.00 0.00 H new ATOM 686 N VAL A 44 -12.223 19.894 -7.320 1.00 0.00 N ATOM 687 CA VAL A 44 -13.400 19.209 -7.820 1.00 0.00 C ATOM 688 C VAL A 44 -14.196 18.617 -6.659 1.00 0.00 C ATOM 689 O VAL A 44 -13.693 18.493 -5.538 1.00 0.00 O ATOM 690 CB VAL A 44 -12.981 18.128 -8.838 1.00 0.00 C ATOM 691 CG1 VAL A 44 -12.841 18.737 -10.232 1.00 0.00 C ATOM 692 CG2 VAL A 44 -11.718 17.348 -8.453 1.00 0.00 C ATOM 0 H VAL A 44 -11.720 19.351 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 44 -14.048 19.920 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 44 -13.784 17.391 -8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.545 17.962 -10.939 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.795 19.164 -10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.083 19.520 -10.213 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.497 16.610 -9.224 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.879 18.037 -8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.879 16.842 -7.501 1.00 0.00 H new ATOM 702 N ASP A 45 -15.424 18.188 -6.956 1.00 0.00 N ATOM 703 CA ASP A 45 -16.336 17.522 -6.022 1.00 0.00 C ATOM 704 C ASP A 45 -15.931 16.049 -5.839 1.00 0.00 C ATOM 705 O ASP A 45 -16.713 15.113 -6.030 1.00 0.00 O ATOM 706 CB ASP A 45 -17.795 17.710 -6.464 1.00 0.00 C ATOM 707 CG ASP A 45 -18.791 17.118 -5.447 1.00 0.00 C ATOM 708 OD1 ASP A 45 -18.585 17.273 -4.219 1.00 0.00 O ATOM 709 OD2 ASP A 45 -19.822 16.543 -5.876 1.00 0.00 O ATOM 0 H ASP A 45 -15.826 18.298 -7.887 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.258 17.986 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.000 18.773 -6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -17.943 17.236 -7.434 1.00 0.00 H new ATOM 714 N ASP A 46 -14.642 15.854 -5.576 1.00 0.00 N ATOM 715 CA ASP A 46 -13.925 14.584 -5.555 1.00 0.00 C ATOM 716 C ASP A 46 -12.629 14.729 -4.744 1.00 0.00 C ATOM 717 O ASP A 46 -12.253 13.824 -3.996 1.00 0.00 O ATOM 718 CB ASP A 46 -13.588 14.199 -7.002 1.00 0.00 C ATOM 719 CG ASP A 46 -12.637 12.996 -7.072 1.00 0.00 C ATOM 720 OD1 ASP A 46 -13.137 11.846 -7.131 1.00 0.00 O ATOM 721 OD2 ASP A 46 -11.404 13.212 -7.128 1.00 0.00 O ATOM 0 H ASP A 46 -14.027 16.637 -5.356 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.542 13.814 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.508 13.965 -7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.132 15.051 -7.507 1.00 0.00 H new ATOM 726 N GLY A 47 -11.968 15.887 -4.837 1.00 0.00 N ATOM 727 CA GLY A 47 -10.664 16.133 -4.254 1.00 0.00 C ATOM 728 C GLY A 47 -9.965 17.196 -5.092 1.00 0.00 C ATOM 729 O GLY A 47 -10.580 18.206 -5.446 1.00 0.00 O ATOM 0 H GLY A 47 -12.343 16.694 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.765 16.468 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.076 15.215 -4.235 1.00 0.00 H new ATOM 733 N THR A 48 -8.707 16.954 -5.455 1.00 0.00 N ATOM 734 CA THR A 48 -7.918 17.858 -6.277 1.00 0.00 C ATOM 735 C THR A 48 -7.504 17.089 -7.529 1.00 0.00 C ATOM 736 O THR A 48 -7.345 15.867 -7.491 1.00 0.00 O ATOM 737 CB THR A 48 -6.706 18.399 -5.493 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.018 18.638 -4.124 1.00 0.00 O ATOM 739 CG2 THR A 48 -6.144 19.706 -6.063 1.00 0.00 C ATOM 0 H THR A 48 -8.203 16.111 -5.180 1.00 0.00 H new ATOM 0 HA THR A 48 -8.500 18.734 -6.564 1.00 0.00 H new ATOM 0 HB THR A 48 -5.957 17.613 -5.588 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.161 19.597 -3.984 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.293 20.029 -5.463 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.822 19.545 -7.092 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.917 20.475 -6.041 1.00 0.00 H new ATOM 747 N GLU A 49 -7.306 17.795 -8.635 1.00 0.00 N ATOM 748 CA GLU A 49 -6.777 17.264 -9.872 1.00 0.00 C ATOM 749 C GLU A 49 -5.646 18.195 -10.300 1.00 0.00 C ATOM 750 O GLU A 49 -5.879 19.333 -10.710 1.00 0.00 O ATOM 751 CB GLU A 49 -7.885 17.096 -10.929 1.00 0.00 C ATOM 752 CG GLU A 49 -8.781 15.902 -10.564 1.00 0.00 C ATOM 753 CD GLU A 49 -9.954 15.624 -11.525 1.00 0.00 C ATOM 754 OE1 GLU A 49 -10.273 16.441 -12.423 1.00 0.00 O ATOM 755 OE2 GLU A 49 -10.600 14.562 -11.345 1.00 0.00 O ATOM 0 H GLU A 49 -7.520 18.791 -8.691 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.378 16.258 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.483 18.005 -10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.441 16.941 -11.912 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.159 15.008 -10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.186 16.068 -9.566 1.00 0.00 H new ATOM 762 N THR A 50 -4.404 17.734 -10.150 1.00 0.00 N ATOM 763 CA THR A 50 -3.234 18.490 -10.578 1.00 0.00 C ATOM 764 C THR A 50 -3.018 18.172 -12.052 1.00 0.00 C ATOM 765 O THR A 50 -2.494 17.104 -12.362 1.00 0.00 O ATOM 766 CB THR A 50 -2.028 18.151 -9.688 1.00 0.00 C ATOM 767 OG1 THR A 50 -2.276 18.608 -8.369 1.00 0.00 O ATOM 768 CG2 THR A 50 -0.733 18.791 -10.196 1.00 0.00 C ATOM 0 H THR A 50 -4.185 16.831 -9.730 1.00 0.00 H new ATOM 0 HA THR A 50 -3.374 19.566 -10.470 1.00 0.00 H new ATOM 0 HB THR A 50 -1.900 17.069 -9.710 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.509 18.392 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.090 18.522 -9.534 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.521 18.432 -11.203 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.845 19.875 -10.213 1.00 0.00 H new ATOM 776 N HIS A 51 -3.448 19.058 -12.947 1.00 0.00 N ATOM 777 CA HIS A 51 -3.404 18.867 -14.391 1.00 0.00 C ATOM 778 C HIS A 51 -2.032 19.261 -14.939 1.00 0.00 C ATOM 779 O HIS A 51 -1.426 20.217 -14.444 1.00 0.00 O ATOM 780 CB HIS A 51 -4.499 19.702 -15.072 1.00 0.00 C ATOM 781 CG HIS A 51 -5.906 19.227 -14.810 1.00 0.00 C ATOM 782 ND1 HIS A 51 -6.584 18.264 -15.528 1.00 0.00 N ATOM 783 CD2 HIS A 51 -6.774 19.705 -13.862 1.00 0.00 C ATOM 784 CE1 HIS A 51 -7.818 18.150 -15.007 1.00 0.00 C ATOM 785 NE2 HIS A 51 -7.988 19.019 -13.995 1.00 0.00 N ATOM 0 H HIS A 51 -3.849 19.956 -12.677 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.579 17.813 -14.605 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.410 20.735 -14.737 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.323 19.699 -16.148 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.559 20.477 -13.138 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.569 17.456 -15.354 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.831 19.152 -13.437 1.00 0.00 H new ATOM 793 N PHE A 52 -1.569 18.551 -15.972 1.00 0.00 N ATOM 794 CA PHE A 52 -0.397 18.874 -16.784 1.00 0.00 C ATOM 795 C PHE A 52 -0.521 18.156 -18.140 1.00 0.00 C ATOM 796 O PHE A 52 -1.509 17.464 -18.384 1.00 0.00 O ATOM 797 CB PHE A 52 0.900 18.507 -16.039 1.00 0.00 C ATOM 798 CG PHE A 52 1.041 17.084 -15.535 1.00 0.00 C ATOM 799 CD1 PHE A 52 0.487 16.735 -14.289 1.00 0.00 C ATOM 800 CD2 PHE A 52 1.800 16.137 -16.253 1.00 0.00 C ATOM 801 CE1 PHE A 52 0.692 15.456 -13.751 1.00 0.00 C ATOM 802 CE2 PHE A 52 2.007 14.856 -15.704 1.00 0.00 C ATOM 803 CZ PHE A 52 1.467 14.520 -14.453 1.00 0.00 C ATOM 0 H PHE A 52 -2.026 17.692 -16.278 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.351 19.947 -16.968 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.739 18.713 -16.704 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.998 19.177 -15.185 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.101 17.458 -13.743 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.219 16.391 -17.215 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.255 15.192 -12.799 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.586 14.126 -16.251 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.648 13.542 -14.031 1.00 0.00 H new ATOM 813 N SER A 53 0.472 18.293 -19.021 1.00 0.00 N ATOM 814 CA SER A 53 0.528 17.613 -20.312 1.00 0.00 C ATOM 815 C SER A 53 1.984 17.287 -20.643 1.00 0.00 C ATOM 816 O SER A 53 2.894 18.012 -20.229 1.00 0.00 O ATOM 817 CB SER A 53 -0.083 18.472 -21.433 1.00 0.00 C ATOM 818 OG SER A 53 -1.413 18.878 -21.132 1.00 0.00 O ATOM 0 H SER A 53 1.278 18.895 -18.850 1.00 0.00 H new ATOM 0 HA SER A 53 -0.057 16.696 -20.243 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.537 19.354 -21.592 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.079 17.907 -22.365 1.00 0.00 H new ATOM 0 HG SER A 53 -1.763 19.422 -21.868 1.00 0.00 H new ATOM 824 N ILE A 54 2.200 16.207 -21.394 1.00 0.00 N ATOM 825 CA ILE A 54 3.497 15.726 -21.854 1.00 0.00 C ATOM 826 C ILE A 54 3.279 15.420 -23.336 1.00 0.00 C ATOM 827 O ILE A 54 2.510 14.517 -23.678 1.00 0.00 O ATOM 828 CB ILE A 54 3.924 14.494 -21.018 1.00 0.00 C ATOM 829 CG1 ILE A 54 4.204 14.897 -19.551 1.00 0.00 C ATOM 830 CG2 ILE A 54 5.180 13.812 -21.602 1.00 0.00 C ATOM 831 CD1 ILE A 54 4.076 13.734 -18.573 1.00 0.00 C ATOM 0 H ILE A 54 1.433 15.615 -21.713 1.00 0.00 H new ATOM 0 HA ILE A 54 4.310 16.441 -21.731 1.00 0.00 H new ATOM 0 HB ILE A 54 3.096 13.786 -21.053 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.209 15.313 -19.481 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.511 15.686 -19.259 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.447 12.953 -20.987 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.974 13.480 -22.619 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.008 14.521 -21.613 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.285 14.084 -17.562 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.064 13.332 -18.616 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.788 12.953 -18.841 1.00 0.00 H new ATOM 843 N GLY A 55 3.901 16.202 -24.220 1.00 0.00 N ATOM 844 CA GLY A 55 3.602 16.147 -25.645 1.00 0.00 C ATOM 845 C GLY A 55 2.116 16.436 -25.858 1.00 0.00 C ATOM 846 O GLY A 55 1.574 17.388 -25.289 1.00 0.00 O ATOM 0 H GLY A 55 4.618 16.883 -23.969 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.207 16.876 -26.184 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.855 15.165 -26.044 1.00 0.00 H new ATOM 850 N ASN A 56 1.447 15.590 -26.647 1.00 0.00 N ATOM 851 CA ASN A 56 0.015 15.701 -26.923 1.00 0.00 C ATOM 852 C ASN A 56 -0.853 15.108 -25.799 1.00 0.00 C ATOM 853 O ASN A 56 -2.074 15.271 -25.818 1.00 0.00 O ATOM 854 CB ASN A 56 -0.285 15.008 -28.263 1.00 0.00 C ATOM 855 CG ASN A 56 -1.716 15.262 -28.736 1.00 0.00 C ATOM 856 OD1 ASN A 56 -2.162 16.407 -28.821 1.00 0.00 O ATOM 857 ND2 ASN A 56 -2.461 14.220 -29.081 1.00 0.00 N ATOM 0 H ASN A 56 1.891 14.801 -27.116 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.240 16.759 -26.979 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.415 15.364 -29.019 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.123 13.935 -28.160 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.412 14.363 -29.420 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.083 13.276 -29.007 1.00 0.00 H new ATOM 864 N HIS A 57 -0.256 14.389 -24.839 1.00 0.00 N ATOM 865 CA HIS A 57 -0.990 13.625 -23.837 1.00 0.00 C ATOM 866 C HIS A 57 -1.259 14.534 -22.642 1.00 0.00 C ATOM 867 O HIS A 57 -0.310 15.019 -22.022 1.00 0.00 O ATOM 868 CB HIS A 57 -0.193 12.378 -23.420 1.00 0.00 C ATOM 869 CG HIS A 57 0.299 11.548 -24.581 1.00 0.00 C ATOM 870 ND1 HIS A 57 -0.449 10.694 -25.364 1.00 0.00 N ATOM 871 CD2 HIS A 57 1.581 11.521 -25.067 1.00 0.00 C ATOM 872 CE1 HIS A 57 0.367 10.168 -26.296 1.00 0.00 C ATOM 873 NE2 HIS A 57 1.618 10.648 -26.162 1.00 0.00 N ATOM 0 H HIS A 57 0.757 14.325 -24.740 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.938 13.279 -24.249 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.663 12.690 -22.821 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.820 11.756 -22.781 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.419 12.077 -24.673 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.060 9.457 -27.049 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.428 10.422 -26.740 1.00 0.00 H new ATOM 881 N ASP A 58 -2.526 14.768 -22.296 1.00 0.00 N ATOM 882 CA ASP A 58 -2.868 15.442 -21.045 1.00 0.00 C ATOM 883 C ASP A 58 -2.913 14.421 -19.909 1.00 0.00 C ATOM 884 O ASP A 58 -3.253 13.247 -20.112 1.00 0.00 O ATOM 885 CB ASP A 58 -4.152 16.270 -21.124 1.00 0.00 C ATOM 886 CG ASP A 58 -5.406 15.453 -20.759 1.00 0.00 C ATOM 887 OD1 ASP A 58 -5.972 14.786 -21.659 1.00 0.00 O ATOM 888 OD2 ASP A 58 -5.844 15.509 -19.586 1.00 0.00 O ATOM 0 H ASP A 58 -3.330 14.501 -22.864 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.082 16.170 -20.842 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.071 17.124 -20.452 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.262 16.667 -22.133 1.00 0.00 H new ATOM 893 N CYS A 59 -2.538 14.876 -18.720 1.00 0.00 N ATOM 894 CA CYS A 59 -2.361 14.080 -17.525 1.00 0.00 C ATOM 895 C CYS A 59 -2.940 14.840 -16.342 1.00 0.00 C ATOM 896 O CYS A 59 -2.936 16.074 -16.339 1.00 0.00 O ATOM 897 CB CYS A 59 -0.870 13.859 -17.233 1.00 0.00 C ATOM 898 SG CYS A 59 0.102 13.507 -18.725 1.00 0.00 S ATOM 0 H CYS A 59 -2.340 15.864 -18.561 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.856 13.121 -17.675 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.466 14.746 -16.744 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.762 13.031 -16.532 1.00 0.00 H new ATOM 0 HG CYS A 59 0.980 12.584 -18.463 1.00 0.00 H new ATOM 904 N TYR A 60 -3.391 14.140 -15.306 1.00 0.00 N ATOM 905 CA TYR A 60 -3.717 14.786 -14.057 1.00 0.00 C ATOM 906 C TYR A 60 -3.452 13.835 -12.907 1.00 0.00 C ATOM 907 O TYR A 60 -3.719 12.641 -13.026 1.00 0.00 O ATOM 908 CB TYR A 60 -5.136 15.372 -14.055 1.00 0.00 C ATOM 909 CG TYR A 60 -6.308 14.406 -14.087 1.00 0.00 C ATOM 910 CD1 TYR A 60 -6.635 13.643 -12.950 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.113 14.316 -15.238 1.00 0.00 C ATOM 912 CE1 TYR A 60 -7.749 12.790 -12.965 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.277 13.524 -15.231 1.00 0.00 C ATOM 914 CZ TYR A 60 -8.607 12.762 -14.085 1.00 0.00 C ATOM 915 OH TYR A 60 -9.712 11.959 -14.053 1.00 0.00 O ATOM 0 H TYR A 60 -3.536 13.130 -15.314 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.065 15.650 -13.926 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.239 15.993 -13.165 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.225 16.033 -14.917 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.025 13.715 -12.062 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.836 14.857 -16.131 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.950 12.153 -12.117 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.918 13.498 -16.100 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.205 12.048 -14.895 1.00 0.00 H new ATOM 925 N ILE A 61 -2.932 14.328 -11.786 1.00 0.00 N ATOM 926 CA ILE A 61 -2.870 13.520 -10.575 1.00 0.00 C ATOM 927 C ILE A 61 -4.192 13.773 -9.871 1.00 0.00 C ATOM 928 O ILE A 61 -4.461 14.905 -9.468 1.00 0.00 O ATOM 929 CB ILE A 61 -1.630 13.828 -9.719 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.341 13.430 -10.470 1.00 0.00 C ATOM 931 CG2 ILE A 61 -1.693 13.072 -8.378 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.828 14.328 -10.063 1.00 0.00 C ATOM 0 H ILE A 61 -2.553 15.270 -11.692 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.747 12.459 -10.793 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.616 14.900 -9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.097 12.390 -10.256 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.504 13.504 -11.545 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.806 13.304 -7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.584 13.377 -7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.733 11.999 -8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.724 14.027 -10.606 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.590 15.365 -10.301 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.004 14.233 -8.992 1.00 0.00 H new ATOM 944 N LYS A 62 -5.020 12.741 -9.760 1.00 0.00 N ATOM 945 CA LYS A 62 -6.216 12.759 -8.939 1.00 0.00 C ATOM 946 C LYS A 62 -5.703 12.614 -7.520 1.00 0.00 C ATOM 947 O LYS A 62 -4.935 11.693 -7.246 1.00 0.00 O ATOM 948 CB LYS A 62 -7.135 11.592 -9.352 1.00 0.00 C ATOM 949 CG LYS A 62 -8.625 11.961 -9.358 1.00 0.00 C ATOM 950 CD LYS A 62 -9.457 10.777 -9.886 1.00 0.00 C ATOM 951 CE LYS A 62 -10.963 11.082 -9.911 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.369 11.952 -11.050 1.00 0.00 N ATOM 0 H LYS A 62 -4.874 11.857 -10.247 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.810 13.666 -9.046 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.849 11.249 -10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.978 10.757 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.948 12.223 -8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.789 12.839 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.124 10.523 -10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.277 9.903 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.516 10.144 -9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.244 11.565 -8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.406 12.023 -11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.960 12.900 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.025 11.541 -11.941 1.00 0.00 H new ATOM 966 N ALA A 63 -6.093 13.515 -6.637 1.00 0.00 N ATOM 967 CA ALA A 63 -5.778 13.473 -5.231 1.00 0.00 C ATOM 968 C ALA A 63 -7.133 13.479 -4.535 1.00 0.00 C ATOM 969 O ALA A 63 -7.713 14.534 -4.282 1.00 0.00 O ATOM 970 CB ALA A 63 -4.893 14.663 -4.876 1.00 0.00 C ATOM 0 H ALA A 63 -6.659 14.324 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.209 12.596 -4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.653 14.634 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.972 14.618 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.420 15.589 -5.104 1.00 0.00 H new ATOM 976 N VAL A 64 -7.679 12.289 -4.327 1.00 0.00 N ATOM 977 CA VAL A 64 -9.043 12.071 -3.883 1.00 0.00 C ATOM 978 C VAL A 64 -9.078 12.186 -2.368 1.00 0.00 C ATOM 979 O VAL A 64 -8.384 11.422 -1.701 1.00 0.00 O ATOM 980 CB VAL A 64 -9.560 10.676 -4.315 1.00 0.00 C ATOM 981 CG1 VAL A 64 -11.090 10.671 -4.329 1.00 0.00 C ATOM 982 CG2 VAL A 64 -9.049 10.220 -5.694 1.00 0.00 C ATOM 0 H VAL A 64 -7.164 11.420 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.690 12.819 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.168 9.972 -3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.448 9.687 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.464 10.900 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.450 11.422 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.455 9.235 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.370 10.932 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.960 10.170 -5.680 1.00 0.00 H new ATOM 992 N SER A 65 -9.894 13.066 -1.802 1.00 0.00 N ATOM 993 CA SER A 65 -10.078 13.187 -0.360 1.00 0.00 C ATOM 994 C SER A 65 -11.026 12.080 0.143 1.00 0.00 C ATOM 995 O SER A 65 -12.108 12.355 0.668 1.00 0.00 O ATOM 996 CB SER A 65 -10.531 14.614 -0.016 1.00 0.00 C ATOM 997 OG SER A 65 -9.724 15.575 -0.694 1.00 0.00 O ATOM 0 H SER A 65 -10.456 13.726 -2.340 1.00 0.00 H new ATOM 0 HA SER A 65 -9.136 13.033 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.576 14.747 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.467 14.772 1.061 1.00 0.00 H new ATOM 0 HG SER A 65 -10.028 16.478 -0.464 1.00 0.00 H new ATOM 1111 N ILE A 73 -5.640 11.273 1.643 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.926 11.644 0.265 1.00 0.00 C ATOM 1113 C ILE A 73 -5.276 10.554 -0.602 1.00 0.00 C ATOM 1114 O ILE A 73 -4.082 10.279 -0.447 1.00 0.00 O ATOM 1115 CB ILE A 73 -5.398 13.074 -0.014 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.151 14.212 0.725 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.494 13.425 -1.505 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.247 14.128 2.239 1.00 0.00 C ATOM 0 HA ILE A 73 -6.992 11.690 0.040 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.372 13.029 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.666 15.155 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.165 14.257 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.116 14.434 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.900 12.718 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.535 13.372 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.799 14.989 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.766 13.212 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.245 14.123 2.667 1.00 0.00 H new ATOM 1130 N ILE A 74 -6.026 9.939 -1.520 1.00 0.00 N ATOM 1131 CA ILE A 74 -5.532 8.880 -2.394 1.00 0.00 C ATOM 1132 C ILE A 74 -4.963 9.576 -3.624 1.00 0.00 C ATOM 1133 O ILE A 74 -5.696 10.301 -4.293 1.00 0.00 O ATOM 1134 CB ILE A 74 -6.661 7.877 -2.722 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -7.245 7.231 -1.443 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -6.205 6.796 -3.721 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -6.271 6.390 -0.605 1.00 0.00 C ATOM 0 H ILE A 74 -7.007 10.168 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.752 8.282 -1.922 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.455 8.452 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.645 8.023 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.084 6.598 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.031 6.114 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.891 7.269 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.369 6.239 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.792 5.989 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.887 5.568 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.442 7.015 -0.275 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.677 9.382 -3.914 1.00 0.00 N ATOM 1150 CA HIS A 75 -3.029 9.981 -5.071 1.00 0.00 C ATOM 1151 C HIS A 75 -2.933 8.937 -6.182 1.00 0.00 C ATOM 1152 O HIS A 75 -2.380 7.856 -5.963 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.653 10.533 -4.682 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.733 11.781 -3.839 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -2.000 11.859 -2.487 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.559 13.060 -4.290 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.969 13.156 -2.140 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.700 13.929 -3.205 1.00 0.00 N ATOM 0 H HIS A 75 -3.057 8.802 -3.349 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.618 10.821 -5.439 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.102 9.767 -4.136 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.086 10.749 -5.587 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -2.187 11.073 -1.864 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.349 13.349 -5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.138 13.527 -1.140 1.00 0.00 H new ATOM 1166 N THR A 76 -3.406 9.285 -7.379 1.00 0.00 N ATOM 1167 CA THR A 76 -3.324 8.446 -8.571 1.00 0.00 C ATOM 1168 C THR A 76 -2.979 9.324 -9.762 1.00 0.00 C ATOM 1169 O THR A 76 -3.526 10.415 -9.884 1.00 0.00 O ATOM 1170 CB THR A 76 -4.659 7.720 -8.829 1.00 0.00 C ATOM 1171 OG1 THR A 76 -5.230 7.222 -7.623 1.00 0.00 O ATOM 1172 CG2 THR A 76 -4.431 6.561 -9.798 1.00 0.00 C ATOM 0 H THR A 76 -3.867 10.179 -7.549 1.00 0.00 H new ATOM 0 HA THR A 76 -2.553 7.690 -8.421 1.00 0.00 H new ATOM 0 HB THR A 76 -5.354 8.441 -9.259 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.076 6.769 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.375 6.048 -9.980 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.040 6.946 -10.740 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.715 5.861 -9.366 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.124 8.862 -10.671 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.910 9.545 -11.936 1.00 0.00 C ATOM 1182 C LEU A 77 -2.944 9.038 -12.926 1.00 0.00 C ATOM 1183 O LEU A 77 -3.121 7.834 -13.067 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.478 9.302 -12.421 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.189 9.880 -13.813 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.259 11.408 -13.826 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.209 9.444 -14.247 1.00 0.00 C ATOM 0 H LEU A 77 -1.569 8.015 -10.551 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.030 10.623 -11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.217 9.739 -11.705 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.287 8.229 -12.436 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.949 9.504 -14.498 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.048 11.773 -14.831 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.256 11.729 -13.525 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.477 11.812 -13.131 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.426 9.849 -15.235 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.944 9.816 -13.533 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.256 8.356 -14.282 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.612 9.941 -13.624 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.473 9.664 -14.751 1.00 0.00 C ATOM 1201 C ILE A 78 -3.769 10.278 -15.969 1.00 0.00 C ATOM 1202 O ILE A 78 -3.191 11.363 -15.864 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.887 10.236 -14.491 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.805 9.293 -13.683 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.611 10.594 -15.791 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.288 8.966 -12.287 1.00 0.00 C ATOM 0 H ILE A 78 -3.563 10.936 -13.405 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.629 8.599 -14.922 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.703 11.132 -13.898 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.791 9.750 -13.596 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.932 8.364 -14.238 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.599 10.991 -15.560 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.036 11.345 -16.333 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.714 9.701 -16.408 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.990 8.299 -11.786 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.316 8.479 -12.364 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.188 9.886 -11.711 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.835 9.629 -17.132 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.339 10.140 -18.401 1.00 0.00 C ATOM 1220 C VAL A 79 -4.353 9.768 -19.471 1.00 0.00 C ATOM 1221 O VAL A 79 -4.815 8.629 -19.491 1.00 0.00 O ATOM 1222 CB VAL A 79 -1.941 9.576 -18.708 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.357 10.149 -20.006 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -0.978 9.865 -17.555 1.00 0.00 C ATOM 0 H VAL A 79 -4.251 8.701 -17.214 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.227 11.224 -18.366 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.058 8.500 -18.832 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.370 9.722 -20.181 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.013 9.901 -20.841 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.273 11.232 -19.920 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.005 9.458 -17.791 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.899 10.942 -17.408 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.353 9.401 -16.643 1.00 0.00 H new ATOM 1234 N ASP A 80 -4.726 10.714 -20.336 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.757 10.533 -21.367 1.00 0.00 C ATOM 1236 C ASP A 80 -7.054 9.937 -20.784 1.00 0.00 C ATOM 1237 O ASP A 80 -7.711 9.090 -21.389 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.191 9.764 -22.573 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.174 9.718 -23.758 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.810 10.752 -24.078 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -6.262 8.657 -24.421 1.00 0.00 O ATOM 0 H ASP A 80 -4.313 11.647 -20.341 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.050 11.512 -21.746 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.261 10.233 -22.895 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.946 8.746 -22.269 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.403 10.353 -19.557 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.522 9.856 -18.743 1.00 0.00 C ATOM 1248 C ASN A 81 -8.442 8.365 -18.344 1.00 0.00 C ATOM 1249 O ASN A 81 -9.411 7.821 -17.807 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.878 10.253 -19.360 1.00 0.00 C ATOM 1251 CG ASN A 81 -11.025 10.200 -18.345 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -10.867 10.560 -17.180 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -12.216 9.798 -18.768 1.00 0.00 N ATOM 0 H ASN A 81 -6.881 11.088 -19.079 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.430 10.365 -17.784 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.806 11.261 -19.769 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.103 9.587 -20.193 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.008 9.786 -18.125 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.340 9.501 -19.736 1.00 0.00 H new ATOM 1260 N ARG A 82 -7.310 7.683 -18.570 1.00 0.00 N ATOM 1261 CA ARG A 82 -7.032 6.338 -18.084 1.00 0.00 C ATOM 1262 C ARG A 82 -6.248 6.426 -16.792 1.00 0.00 C ATOM 1263 O ARG A 82 -5.486 7.367 -16.592 1.00 0.00 O ATOM 1264 CB ARG A 82 -6.242 5.531 -19.126 1.00 0.00 C ATOM 1265 CG ARG A 82 -7.151 5.009 -20.233 1.00 0.00 C ATOM 1266 CD ARG A 82 -7.625 6.057 -21.244 1.00 0.00 C ATOM 1267 NE ARG A 82 -8.383 5.454 -22.354 1.00 0.00 N ATOM 1268 CZ ARG A 82 -9.098 6.137 -23.262 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -9.137 7.467 -23.226 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -9.773 5.481 -24.203 1.00 0.00 N ATOM 0 H ARG A 82 -6.541 8.072 -19.116 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.977 5.825 -17.906 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.462 6.158 -19.559 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.743 4.694 -18.638 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.623 4.222 -20.772 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.027 4.550 -19.774 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.249 6.793 -20.737 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.763 6.591 -21.643 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.363 4.438 -22.439 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.622 7.973 -22.506 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.682 7.980 -23.919 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.746 4.462 -24.233 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.317 5.997 -24.894 1.00 0.00 H new ATOM 1284 N GLU A 83 -6.416 5.438 -15.926 1.00 0.00 N ATOM 1285 CA GLU A 83 -5.801 5.405 -14.613 1.00 0.00 C ATOM 1286 C GLU A 83 -4.456 4.675 -14.681 1.00 0.00 C ATOM 1287 O GLU A 83 -4.362 3.606 -15.290 1.00 0.00 O ATOM 1288 CB GLU A 83 -6.796 4.792 -13.621 1.00 0.00 C ATOM 1289 CG GLU A 83 -6.231 4.716 -12.206 1.00 0.00 C ATOM 1290 CD GLU A 83 -7.275 4.165 -11.219 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -8.078 4.959 -10.673 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -7.295 2.933 -10.978 1.00 0.00 O ATOM 0 H GLU A 83 -6.996 4.622 -16.123 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.571 6.409 -14.257 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.710 5.386 -13.613 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.069 3.791 -13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.347 4.078 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.911 5.708 -11.885 1.00 0.00 H new ATOM 1299 N ILE A 84 -3.429 5.245 -14.041 1.00 0.00 N ATOM 1300 CA ILE A 84 -2.049 4.773 -14.028 1.00 0.00 C ATOM 1301 C ILE A 84 -1.697 4.455 -12.560 1.00 0.00 C ATOM 1302 O ILE A 84 -1.654 5.377 -11.740 1.00 0.00 O ATOM 1303 CB ILE A 84 -1.113 5.848 -14.646 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -1.585 6.402 -16.008 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.333 5.335 -14.752 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.747 5.370 -17.127 1.00 0.00 C ATOM 0 H ILE A 84 -3.550 6.094 -13.489 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.921 3.875 -14.632 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.153 6.686 -13.951 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.541 6.905 -15.863 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.873 7.159 -16.338 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.963 6.110 -15.188 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.703 5.083 -13.758 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.359 4.448 -15.385 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.082 5.869 -18.036 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.791 4.881 -17.312 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.484 4.624 -16.830 1.00 0.00 H new ATOM 1318 N PRO A 85 -1.451 3.184 -12.192 1.00 0.00 N ATOM 1319 CA PRO A 85 -1.054 2.812 -10.836 1.00 0.00 C ATOM 1320 C PRO A 85 0.411 3.196 -10.571 1.00 0.00 C ATOM 1321 O PRO A 85 1.224 3.242 -11.500 1.00 0.00 O ATOM 1322 CB PRO A 85 -1.281 1.298 -10.747 1.00 0.00 C ATOM 1323 CG PRO A 85 -1.054 0.830 -12.185 1.00 0.00 C ATOM 1324 CD PRO A 85 -1.576 1.996 -13.023 1.00 0.00 C ATOM 0 HA PRO A 85 -1.634 3.337 -10.077 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.584 0.826 -10.054 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.286 1.061 -10.399 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.000 0.634 -12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.595 -0.092 -12.398 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.000 2.102 -13.943 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.614 1.832 -13.314 1.00 0.00 H new ATOM 1332 N GLU A 86 0.752 3.475 -9.307 1.00 0.00 N ATOM 1333 CA GLU A 86 2.126 3.780 -8.908 1.00 0.00 C ATOM 1334 C GLU A 86 3.020 2.543 -9.124 1.00 0.00 C ATOM 1335 O GLU A 86 2.532 1.414 -9.269 1.00 0.00 O ATOM 1336 CB GLU A 86 2.186 4.365 -7.489 1.00 0.00 C ATOM 1337 CG GLU A 86 2.303 3.334 -6.364 1.00 0.00 C ATOM 1338 CD GLU A 86 2.416 4.022 -4.994 1.00 0.00 C ATOM 1339 OE1 GLU A 86 3.331 4.862 -4.811 1.00 0.00 O ATOM 1340 OE2 GLU A 86 1.590 3.736 -4.094 1.00 0.00 O ATOM 0 H GLU A 86 0.084 3.495 -8.537 1.00 0.00 H new ATOM 0 HA GLU A 86 2.526 4.568 -9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.037 5.043 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.290 4.962 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.432 2.679 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.177 2.705 -6.532 1.00 0.00 H new