USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 773 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 76 GLN : amide:sc= -1.45 K(o=-3.8,f=-5.1) USER MOD Set 1.2: A 100 MET CE :methyl -172:sc= -2.32 (180deg=-2.49!) USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 1.09 USER MOD Set 2.2: A 66 SER OG : rot -30:sc= 0.0917 USER MOD Set 2.3: A 68 LYS NZ :NH3+ -158:sc= 1.22 (180deg=0) USER MOD Set 3.1: A 53 THR OG1 : rot 98:sc= 0.534 USER MOD Set 3.2: A 55 HIS :FLIP no HD1:sc= 0.356 F(o=-0.023,f=0.89) USER MOD Set 4.1: A 24 SER OG : rot -170:sc= -1.76! USER MOD Set 4.2: A 27 HIS : no HD1:sc= -0.522 X(o=-2.3,f=-1.8) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 160:sc= 0.897 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc=-0.00685 X(o=-0.0068,f=-0.0068) USER MOD Single : A 19 SER OG : rot -38:sc= 0.349 USER MOD Single : A 20 ASN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.358 USER MOD Single : A 34 TYR OH : rot -83:sc= 0.987 USER MOD Single : A 42 HIS : no HD1:sc= -0.0033 X(o=-0.0033,f=-0.0033) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 86:sc= 0.678 USER MOD Single : A 50 GLN :FLIP amide:sc= -1.14 F(o=-5.4!,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 146:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.05) USER MOD Single : A 65 THR OG1 : rot 76:sc= 0.452 USER MOD Single : A 69 HIS : no HE2:sc= 0.595 K(o=0.6,f=-4.4!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 80 THR OG1 : rot 79:sc= 0.193 USER MOD Single : A 83 MET CE :methyl -178:sc= -1.71 (180deg=-1.77) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 89 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.4!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -3.67! C(o=-3.7!,f=-3.9!) USER MOD Single : A 98 SER OG : rot 90:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 77 N TYR A 7 -14.722 3.753 -1.462 1.00 11.33 N ATOM 78 CA TYR A 7 -14.395 4.256 -2.796 1.00 5.41 C ATOM 79 C TYR A 7 -12.952 4.750 -2.844 1.00 52.33 C ATOM 80 O TYR A 7 -12.564 5.495 -3.744 1.00 45.40 O ATOM 81 CB TYR A 7 -15.354 5.395 -3.185 1.00 32.02 C ATOM 82 CG TYR A 7 -15.467 6.489 -2.137 1.00 2.42 C ATOM 83 CD1 TYR A 7 -14.596 7.572 -2.130 1.00 23.04 C ATOM 84 CD2 TYR A 7 -16.443 6.431 -1.147 1.00 51.41 C ATOM 85 CE1 TYR A 7 -14.694 8.561 -1.170 1.00 13.34 C ATOM 86 CE2 TYR A 7 -16.548 7.418 -0.186 1.00 51.12 C ATOM 87 CZ TYR A 7 -15.670 8.479 -0.200 1.00 22.51 C ATOM 88 OH TYR A 7 -15.765 9.459 0.760 1.00 72.00 O ATOM 0 HA TYR A 7 -14.507 3.439 -3.509 1.00 5.41 H new ATOM 0 HB2 TYR A 7 -15.016 5.837 -4.122 1.00 32.02 H new ATOM 0 HB3 TYR A 7 -16.344 4.977 -3.368 1.00 32.02 H new ATOM 0 HD1 TYR A 7 -13.830 7.642 -2.888 1.00 23.04 H new ATOM 0 HD2 TYR A 7 -17.131 5.599 -1.129 1.00 51.41 H new ATOM 0 HE1 TYR A 7 -14.008 9.395 -1.180 1.00 13.34 H new ATOM 0 HE2 TYR A 7 -17.315 7.358 0.572 1.00 51.12 H new ATOM 0 HH TYR A 7 -16.506 9.252 1.367 1.00 72.00 H new ATOM 98 N THR A 8 -12.162 4.326 -1.868 1.00 33.03 N ATOM 99 CA THR A 8 -10.789 4.783 -1.748 1.00 61.32 C ATOM 100 C THR A 8 -9.797 3.694 -2.167 1.00 20.22 C ATOM 101 O THR A 8 -10.186 2.684 -2.750 1.00 63.11 O ATOM 102 CB THR A 8 -10.504 5.242 -0.308 1.00 43.13 C ATOM 103 OG1 THR A 8 -11.030 4.286 0.621 1.00 71.43 O ATOM 104 CG2 THR A 8 -11.120 6.608 -0.042 1.00 20.24 C ATOM 0 H THR A 8 -12.451 3.665 -1.147 1.00 33.03 H new ATOM 0 HA THR A 8 -10.658 5.629 -2.423 1.00 61.32 H new ATOM 0 HB THR A 8 -9.424 5.319 -0.180 1.00 43.13 H new ATOM 0 HG1 THR A 8 -10.591 4.399 1.490 1.00 71.43 H new ATOM 0 HG21 THR A 8 -10.905 6.911 0.983 1.00 20.24 H new ATOM 0 HG22 THR A 8 -10.698 7.338 -0.732 1.00 20.24 H new ATOM 0 HG23 THR A 8 -12.199 6.555 -0.186 1.00 20.24 H new ATOM 112 N PHE A 9 -8.524 3.901 -1.858 1.00 42.53 N ATOM 113 CA PHE A 9 -7.452 3.023 -2.323 1.00 35.13 C ATOM 114 C PHE A 9 -7.567 1.636 -1.690 1.00 43.23 C ATOM 115 O PHE A 9 -7.294 0.619 -2.333 1.00 22.11 O ATOM 116 CB PHE A 9 -6.102 3.665 -1.979 1.00 42.04 C ATOM 117 CG PHE A 9 -4.911 3.014 -2.626 1.00 33.44 C ATOM 118 CD1 PHE A 9 -4.650 3.205 -3.972 1.00 43.35 C ATOM 119 CD2 PHE A 9 -4.043 2.230 -1.882 1.00 53.20 C ATOM 120 CE1 PHE A 9 -3.548 2.625 -4.568 1.00 12.04 C ATOM 121 CE2 PHE A 9 -2.938 1.645 -2.474 1.00 33.21 C ATOM 122 CZ PHE A 9 -2.690 1.843 -3.818 1.00 12.23 C ATOM 0 H PHE A 9 -8.203 4.678 -1.280 1.00 42.53 H new ATOM 0 HA PHE A 9 -7.533 2.896 -3.403 1.00 35.13 H new ATOM 0 HB2 PHE A 9 -6.129 4.714 -2.273 1.00 42.04 H new ATOM 0 HB3 PHE A 9 -5.969 3.640 -0.897 1.00 42.04 H new ATOM 0 HD1 PHE A 9 -5.317 3.815 -4.563 1.00 43.35 H new ATOM 0 HD2 PHE A 9 -4.231 2.074 -0.830 1.00 53.20 H new ATOM 0 HE1 PHE A 9 -3.357 2.782 -5.619 1.00 12.04 H new ATOM 0 HE2 PHE A 9 -2.270 1.034 -1.885 1.00 33.21 H new ATOM 0 HZ PHE A 9 -1.828 1.388 -4.282 1.00 12.23 H new ATOM 132 N GLU A 10 -8.001 1.616 -0.438 1.00 4.54 N ATOM 133 CA GLU A 10 -8.089 0.389 0.345 1.00 75.14 C ATOM 134 C GLU A 10 -9.056 -0.618 -0.280 1.00 0.41 C ATOM 135 O GLU A 10 -8.759 -1.810 -0.345 1.00 50.24 O ATOM 136 CB GLU A 10 -8.539 0.690 1.783 1.00 1.41 C ATOM 137 CG GLU A 10 -7.867 1.901 2.421 1.00 54.04 C ATOM 138 CD GLU A 10 -8.531 3.208 2.035 1.00 72.44 C ATOM 139 OE1 GLU A 10 -9.511 3.601 2.705 1.00 51.11 O ATOM 140 OE2 GLU A 10 -8.102 3.831 1.048 1.00 54.34 O ATOM 0 H GLU A 10 -8.303 2.450 0.065 1.00 4.54 H new ATOM 0 HA GLU A 10 -7.091 -0.049 0.356 1.00 75.14 H new ATOM 0 HB2 GLU A 10 -9.618 0.847 1.786 1.00 1.41 H new ATOM 0 HB3 GLU A 10 -8.342 -0.186 2.402 1.00 1.41 H new ATOM 0 HG2 GLU A 10 -7.888 1.794 3.506 1.00 54.04 H new ATOM 0 HG3 GLU A 10 -6.819 1.929 2.123 1.00 54.04 H new ATOM 147 N THR A 11 -10.204 -0.139 -0.753 1.00 25.04 N ATOM 148 CA THR A 11 -11.270 -1.030 -1.212 1.00 41.35 C ATOM 149 C THR A 11 -10.861 -1.816 -2.459 1.00 42.24 C ATOM 150 O THR A 11 -11.327 -2.935 -2.667 1.00 51.33 O ATOM 151 CB THR A 11 -12.596 -0.274 -1.475 1.00 13.34 C ATOM 152 OG1 THR A 11 -13.648 -1.209 -1.753 1.00 42.05 O ATOM 153 CG2 THR A 11 -12.471 0.699 -2.637 1.00 13.30 C ATOM 0 H THR A 11 -10.421 0.855 -0.829 1.00 25.04 H new ATOM 0 HA THR A 11 -11.439 -1.736 -0.399 1.00 41.35 H new ATOM 0 HB THR A 11 -12.830 0.296 -0.576 1.00 13.34 H new ATOM 0 HG1 THR A 11 -14.483 -0.723 -1.917 1.00 42.05 H new ATOM 0 HG21 THR A 11 -13.422 1.209 -2.789 1.00 13.30 H new ATOM 0 HG22 THR A 11 -11.697 1.434 -2.415 1.00 13.30 H new ATOM 0 HG23 THR A 11 -12.204 0.153 -3.542 1.00 13.30 H new ATOM 161 N ILE A 12 -9.996 -1.237 -3.281 1.00 12.55 N ATOM 162 CA ILE A 12 -9.552 -1.906 -4.496 1.00 13.00 C ATOM 163 C ILE A 12 -8.605 -3.053 -4.154 1.00 15.34 C ATOM 164 O ILE A 12 -8.757 -4.170 -4.652 1.00 33.02 O ATOM 165 CB ILE A 12 -8.868 -0.919 -5.467 1.00 73.42 C ATOM 166 CG1 ILE A 12 -9.846 0.195 -5.853 1.00 15.32 C ATOM 167 CG2 ILE A 12 -8.360 -1.638 -6.709 1.00 3.35 C ATOM 168 CD1 ILE A 12 -11.138 -0.306 -6.460 1.00 54.32 C ATOM 0 H ILE A 12 -9.591 -0.313 -3.131 1.00 12.55 H new ATOM 0 HA ILE A 12 -10.433 -2.309 -4.995 1.00 13.00 H new ATOM 0 HB ILE A 12 -8.009 -0.477 -4.962 1.00 73.42 H new ATOM 0 HG12 ILE A 12 -10.078 0.785 -4.966 1.00 15.32 H new ATOM 0 HG13 ILE A 12 -9.358 0.864 -6.562 1.00 15.32 H new ATOM 0 HG21 ILE A 12 -7.883 -0.920 -7.376 1.00 3.35 H new ATOM 0 HG22 ILE A 12 -7.636 -2.399 -6.418 1.00 3.35 H new ATOM 0 HG23 ILE A 12 -9.197 -2.110 -7.224 1.00 3.35 H new ATOM 0 HD11 ILE A 12 -11.777 0.542 -6.706 1.00 54.32 H new ATOM 0 HD12 ILE A 12 -10.919 -0.871 -7.366 1.00 54.32 H new ATOM 0 HD13 ILE A 12 -11.650 -0.951 -5.745 1.00 54.32 H new ATOM 180 N ALA A 13 -7.647 -2.777 -3.278 1.00 42.12 N ATOM 181 CA ALA A 13 -6.720 -3.797 -2.810 1.00 1.22 C ATOM 182 C ALA A 13 -7.470 -4.887 -2.064 1.00 25.14 C ATOM 183 O ALA A 13 -7.159 -6.072 -2.184 1.00 73.12 O ATOM 184 CB ALA A 13 -5.666 -3.179 -1.907 1.00 0.31 C ATOM 0 H ALA A 13 -7.492 -1.852 -2.877 1.00 42.12 H new ATOM 0 HA ALA A 13 -6.225 -4.239 -3.675 1.00 1.22 H new ATOM 0 HB1 ALA A 13 -4.980 -3.954 -1.565 1.00 0.31 H new ATOM 0 HB2 ALA A 13 -5.111 -2.422 -2.461 1.00 0.31 H new ATOM 0 HB3 ALA A 13 -6.150 -2.717 -1.046 1.00 0.31 H new ATOM 190 N ARG A 14 -8.478 -4.464 -1.314 1.00 61.33 N ATOM 191 CA ARG A 14 -9.283 -5.355 -0.492 1.00 4.41 C ATOM 192 C ARG A 14 -9.947 -6.434 -1.339 1.00 40.44 C ATOM 193 O ARG A 14 -10.187 -7.533 -0.863 1.00 4.13 O ATOM 194 CB ARG A 14 -10.345 -4.531 0.241 1.00 72.24 C ATOM 195 CG ARG A 14 -10.765 -5.081 1.597 1.00 73.41 C ATOM 196 CD ARG A 14 -11.778 -6.213 1.497 1.00 13.03 C ATOM 197 NE ARG A 14 -12.494 -6.374 2.761 1.00 73.42 N ATOM 198 CZ ARG A 14 -13.412 -7.306 3.007 1.00 61.51 C ATOM 199 NH1 ARG A 14 -13.685 -8.252 2.119 1.00 53.32 N ATOM 200 NH2 ARG A 14 -14.046 -7.297 4.172 1.00 72.44 N ATOM 0 H ARG A 14 -8.762 -3.486 -1.259 1.00 61.33 H new ATOM 0 HA ARG A 14 -8.635 -5.853 0.230 1.00 4.41 H new ATOM 0 HB2 ARG A 14 -9.966 -3.518 0.378 1.00 72.24 H new ATOM 0 HB3 ARG A 14 -11.228 -4.458 -0.394 1.00 72.24 H new ATOM 0 HG2 ARG A 14 -9.882 -5.438 2.126 1.00 73.41 H new ATOM 0 HG3 ARG A 14 -11.190 -4.274 2.194 1.00 73.41 H new ATOM 0 HD2 ARG A 14 -12.486 -6.005 0.695 1.00 13.03 H new ATOM 0 HD3 ARG A 14 -11.269 -7.142 1.240 1.00 13.03 H new ATOM 0 HE ARG A 14 -12.273 -5.721 3.513 1.00 73.42 H new ATOM 0 HH11 ARG A 14 -13.188 -8.274 1.229 1.00 53.32 H new ATOM 0 HH12 ARG A 14 -14.392 -8.957 2.326 1.00 53.32 H new ATOM 0 HH21 ARG A 14 -13.828 -6.582 4.866 1.00 72.44 H new ATOM 0 HH22 ARG A 14 -14.752 -8.005 4.374 1.00 72.44 H new ATOM 214 N GLU A 15 -10.218 -6.119 -2.599 1.00 31.10 N ATOM 215 CA GLU A 15 -10.951 -7.032 -3.463 1.00 32.11 C ATOM 216 C GLU A 15 -10.094 -8.239 -3.864 1.00 12.31 C ATOM 217 O GLU A 15 -10.449 -9.383 -3.577 1.00 21.43 O ATOM 218 CB GLU A 15 -11.432 -6.283 -4.711 1.00 12.22 C ATOM 219 CG GLU A 15 -12.380 -7.085 -5.586 1.00 20.15 C ATOM 220 CD GLU A 15 -13.644 -7.488 -4.853 1.00 20.44 C ATOM 221 OE1 GLU A 15 -14.584 -6.667 -4.781 1.00 33.31 O ATOM 222 OE2 GLU A 15 -13.704 -8.630 -4.355 1.00 20.20 O ATOM 0 H GLU A 15 -9.943 -5.243 -3.043 1.00 31.10 H new ATOM 0 HA GLU A 15 -11.811 -7.410 -2.910 1.00 32.11 H new ATOM 0 HB2 GLU A 15 -11.930 -5.364 -4.401 1.00 12.22 H new ATOM 0 HB3 GLU A 15 -10.565 -5.992 -5.304 1.00 12.22 H new ATOM 0 HG2 GLU A 15 -12.645 -6.496 -6.464 1.00 20.15 H new ATOM 0 HG3 GLU A 15 -11.870 -7.980 -5.944 1.00 20.15 H new ATOM 229 N TRP A 16 -8.961 -7.988 -4.513 1.00 32.15 N ATOM 230 CA TRP A 16 -8.121 -9.078 -5.008 1.00 3.54 C ATOM 231 C TRP A 16 -7.218 -9.666 -3.914 1.00 0.15 C ATOM 232 O TRP A 16 -6.961 -10.868 -3.895 1.00 41.53 O ATOM 233 CB TRP A 16 -7.299 -8.633 -6.235 1.00 42.03 C ATOM 234 CG TRP A 16 -6.447 -7.417 -6.008 1.00 30.54 C ATOM 235 CD1 TRP A 16 -6.759 -6.122 -6.317 1.00 74.41 C ATOM 236 CD2 TRP A 16 -5.132 -7.387 -5.444 1.00 24.35 C ATOM 237 NE1 TRP A 16 -5.731 -5.292 -5.953 1.00 65.42 N ATOM 238 CE2 TRP A 16 -4.722 -6.043 -5.416 1.00 32.44 C ATOM 239 CE3 TRP A 16 -4.268 -8.366 -4.946 1.00 12.20 C ATOM 240 CZ2 TRP A 16 -3.487 -5.655 -4.912 1.00 24.12 C ATOM 241 CZ3 TRP A 16 -3.042 -7.980 -4.449 1.00 30.34 C ATOM 242 CH2 TRP A 16 -2.662 -6.634 -4.431 1.00 23.13 C ATOM 0 H TRP A 16 -8.605 -7.052 -4.708 1.00 32.15 H new ATOM 0 HA TRP A 16 -8.792 -9.877 -5.322 1.00 3.54 H new ATOM 0 HB2 TRP A 16 -6.657 -9.458 -6.545 1.00 42.03 H new ATOM 0 HB3 TRP A 16 -7.982 -8.433 -7.061 1.00 42.03 H new ATOM 0 HD1 TRP A 16 -7.680 -5.800 -6.780 1.00 74.41 H new ATOM 0 HE1 TRP A 16 -5.720 -4.278 -6.065 1.00 65.42 H new ATOM 0 HE3 TRP A 16 -4.556 -9.407 -4.951 1.00 12.20 H new ATOM 0 HZ2 TRP A 16 -3.189 -4.617 -4.900 1.00 24.12 H new ATOM 0 HZ3 TRP A 16 -2.364 -8.729 -4.067 1.00 30.34 H new ATOM 0 HH2 TRP A 16 -1.697 -6.362 -4.029 1.00 23.13 H new ATOM 253 N HIS A 17 -6.741 -8.823 -3.005 1.00 25.24 N ATOM 254 CA HIS A 17 -5.808 -9.249 -1.955 1.00 0.13 C ATOM 255 C HIS A 17 -6.495 -10.081 -0.866 1.00 35.23 C ATOM 256 O HIS A 17 -5.835 -10.833 -0.154 1.00 33.33 O ATOM 257 CB HIS A 17 -5.105 -8.039 -1.332 1.00 42.31 C ATOM 258 CG HIS A 17 -3.981 -8.400 -0.406 1.00 60.53 C ATOM 259 ND1 HIS A 17 -4.012 -8.155 0.951 1.00 62.22 N ATOM 260 CD2 HIS A 17 -2.782 -8.982 -0.651 1.00 70.13 C ATOM 261 CE1 HIS A 17 -2.881 -8.567 1.495 1.00 72.43 C ATOM 262 NE2 HIS A 17 -2.120 -9.073 0.547 1.00 14.01 N ATOM 0 H HIS A 17 -6.984 -7.833 -2.970 1.00 25.24 H new ATOM 0 HA HIS A 17 -5.065 -9.888 -2.433 1.00 0.13 H new ATOM 0 HB2 HIS A 17 -4.717 -7.406 -2.130 1.00 42.31 H new ATOM 0 HB3 HIS A 17 -5.838 -7.447 -0.784 1.00 42.31 H new ATOM 0 HD2 HIS A 17 -2.416 -9.313 -1.612 1.00 70.13 H new ATOM 0 HE1 HIS A 17 -2.624 -8.500 2.542 1.00 72.43 H new ATOM 0 HE2 HIS A 17 -1.189 -9.468 0.682 1.00 14.01 H new ATOM 271 N GLU A 18 -7.809 -9.929 -0.740 1.00 12.12 N ATOM 272 CA GLU A 18 -8.573 -10.470 0.391 1.00 64.43 C ATOM 273 C GLU A 18 -8.282 -11.952 0.656 1.00 53.55 C ATOM 274 O GLU A 18 -8.027 -12.344 1.795 1.00 14.43 O ATOM 275 CB GLU A 18 -10.061 -10.308 0.093 1.00 62.24 C ATOM 276 CG GLU A 18 -10.984 -10.764 1.206 1.00 44.03 C ATOM 277 CD GLU A 18 -12.411 -10.898 0.727 1.00 64.44 C ATOM 278 OE1 GLU A 18 -12.946 -9.920 0.162 1.00 63.10 O ATOM 279 OE2 GLU A 18 -12.996 -11.989 0.898 1.00 23.44 O ATOM 0 H GLU A 18 -8.381 -9.426 -1.419 1.00 12.12 H new ATOM 0 HA GLU A 18 -8.275 -9.917 1.282 1.00 64.43 H new ATOM 0 HB2 GLU A 18 -10.263 -9.258 -0.120 1.00 62.24 H new ATOM 0 HB3 GLU A 18 -10.300 -10.869 -0.811 1.00 62.24 H new ATOM 0 HG2 GLU A 18 -10.639 -11.722 1.596 1.00 44.03 H new ATOM 0 HG3 GLU A 18 -10.942 -10.051 2.029 1.00 44.03 H new ATOM 286 N SER A 19 -8.301 -12.764 -0.389 1.00 13.32 N ATOM 287 CA SER A 19 -8.180 -14.208 -0.228 1.00 53.30 C ATOM 288 C SER A 19 -6.712 -14.657 -0.136 1.00 15.23 C ATOM 289 O SER A 19 -6.427 -15.852 -0.039 1.00 24.12 O ATOM 290 CB SER A 19 -8.883 -14.914 -1.397 1.00 4.33 C ATOM 291 OG SER A 19 -9.029 -16.302 -1.156 1.00 63.25 O ATOM 0 H SER A 19 -8.399 -12.451 -1.355 1.00 13.32 H new ATOM 0 HA SER A 19 -8.659 -14.484 0.711 1.00 53.30 H new ATOM 0 HB2 SER A 19 -9.864 -14.467 -1.556 1.00 4.33 H new ATOM 0 HB3 SER A 19 -8.311 -14.761 -2.312 1.00 4.33 H new ATOM 0 HG SER A 19 -8.227 -16.642 -0.707 1.00 63.25 H new ATOM 297 N ASN A 20 -5.784 -13.706 -0.132 1.00 63.52 N ATOM 298 CA ASN A 20 -4.364 -14.047 -0.155 1.00 72.05 C ATOM 299 C ASN A 20 -3.569 -13.254 0.880 1.00 21.33 C ATOM 300 O ASN A 20 -3.229 -12.088 0.659 1.00 53.45 O ATOM 301 CB ASN A 20 -3.785 -13.805 -1.553 1.00 64.23 C ATOM 302 CG ASN A 20 -2.326 -14.211 -1.670 1.00 62.22 C ATOM 303 OD1 ASN A 20 -2.011 -15.350 -2.018 1.00 12.32 O ATOM 304 ND2 ASN A 20 -1.425 -13.279 -1.394 1.00 24.52 N ATOM 0 H ASN A 20 -5.984 -12.706 -0.113 1.00 63.52 H new ATOM 0 HA ASN A 20 -4.278 -15.104 0.099 1.00 72.05 H new ATOM 0 HB2 ASN A 20 -4.371 -14.362 -2.284 1.00 64.23 H new ATOM 0 HB3 ASN A 20 -3.884 -12.749 -1.803 1.00 64.23 H new ATOM 0 HD21 ASN A 20 -0.430 -13.494 -1.467 1.00 24.52 H new ATOM 0 HD22 ASN A 20 -1.726 -12.347 -1.109 1.00 24.52 H new ATOM 311 N LYS A 21 -3.287 -13.895 2.011 1.00 33.20 N ATOM 312 CA LYS A 21 -2.421 -13.320 3.039 1.00 14.13 C ATOM 313 C LYS A 21 -2.142 -14.367 4.115 1.00 73.21 C ATOM 314 O LYS A 21 -1.044 -14.915 4.198 1.00 32.14 O ATOM 315 CB LYS A 21 -3.061 -12.074 3.678 1.00 33.43 C ATOM 316 CG LYS A 21 -2.056 -11.044 4.198 1.00 73.04 C ATOM 317 CD LYS A 21 -1.135 -11.610 5.272 1.00 31.12 C ATOM 318 CE LYS A 21 -0.124 -10.573 5.742 1.00 51.23 C ATOM 319 NZ LYS A 21 0.886 -11.154 6.669 1.00 43.51 N ATOM 0 H LYS A 21 -3.649 -14.821 2.241 1.00 33.20 H new ATOM 0 HA LYS A 21 -1.487 -13.015 2.568 1.00 14.13 H new ATOM 0 HB2 LYS A 21 -3.707 -11.594 2.942 1.00 33.43 H new ATOM 0 HB3 LYS A 21 -3.698 -12.391 4.504 1.00 33.43 H new ATOM 0 HG2 LYS A 21 -1.455 -10.677 3.366 1.00 73.04 H new ATOM 0 HG3 LYS A 21 -2.596 -10.188 4.603 1.00 73.04 H new ATOM 0 HD2 LYS A 21 -1.729 -11.951 6.120 1.00 31.12 H new ATOM 0 HD3 LYS A 21 -0.609 -12.481 4.880 1.00 31.12 H new ATOM 0 HE2 LYS A 21 0.383 -10.144 4.878 1.00 51.23 H new ATOM 0 HE3 LYS A 21 -0.647 -9.758 6.242 1.00 51.23 H new ATOM 0 HZ1 LYS A 21 1.554 -10.413 6.964 1.00 43.51 H new ATOM 0 HZ2 LYS A 21 0.406 -11.541 7.507 1.00 43.51 H new ATOM 0 HZ3 LYS A 21 1.404 -11.915 6.185 1.00 43.51 H new ATOM 333 N ARG A 22 -3.152 -14.640 4.929 1.00 40.11 N ATOM 334 CA ARG A 22 -3.034 -15.603 6.012 1.00 20.11 C ATOM 335 C ARG A 22 -4.430 -16.002 6.472 1.00 41.52 C ATOM 336 O ARG A 22 -5.181 -15.169 6.976 1.00 20.14 O ATOM 337 CB ARG A 22 -2.246 -14.995 7.181 1.00 72.15 C ATOM 338 CG ARG A 22 -1.426 -15.999 7.985 1.00 3.42 C ATOM 339 CD ARG A 22 -2.295 -17.048 8.661 1.00 64.44 C ATOM 340 NE ARG A 22 -1.514 -17.917 9.545 1.00 11.33 N ATOM 341 CZ ARG A 22 -1.984 -19.025 10.121 1.00 50.23 C ATOM 342 NH1 ARG A 22 -3.227 -19.435 9.877 1.00 2.22 N ATOM 343 NH2 ARG A 22 -1.209 -19.725 10.938 1.00 64.01 N ATOM 0 H ARG A 22 -4.071 -14.203 4.857 1.00 40.11 H new ATOM 0 HA ARG A 22 -2.498 -16.484 5.659 1.00 20.11 H new ATOM 0 HB2 ARG A 22 -1.576 -14.229 6.791 1.00 72.15 H new ATOM 0 HB3 ARG A 22 -2.945 -14.496 7.852 1.00 72.15 H new ATOM 0 HG2 ARG A 22 -0.712 -16.493 7.325 1.00 3.42 H new ATOM 0 HG3 ARG A 22 -0.847 -15.469 8.741 1.00 3.42 H new ATOM 0 HD2 ARG A 22 -3.078 -16.555 9.236 1.00 64.44 H new ATOM 0 HD3 ARG A 22 -2.790 -17.653 7.902 1.00 64.44 H new ATOM 0 HE ARG A 22 -0.546 -17.657 9.733 1.00 11.33 H new ATOM 0 HH11 ARG A 22 -3.826 -18.901 9.247 1.00 2.22 H new ATOM 0 HH12 ARG A 22 -3.581 -20.283 10.320 1.00 2.22 H new ATOM 0 HH21 ARG A 22 -0.255 -19.416 11.125 1.00 64.01 H new ATOM 0 HH22 ARG A 22 -1.567 -20.572 11.379 1.00 64.01 H new ATOM 357 N TRP A 23 -4.782 -17.263 6.267 1.00 13.02 N ATOM 358 CA TRP A 23 -6.103 -17.758 6.639 1.00 42.12 C ATOM 359 C TRP A 23 -6.249 -17.873 8.154 1.00 50.33 C ATOM 360 O TRP A 23 -5.877 -18.887 8.750 1.00 70.41 O ATOM 361 CB TRP A 23 -6.364 -19.113 5.980 1.00 25.22 C ATOM 362 CG TRP A 23 -6.115 -19.094 4.506 1.00 24.01 C ATOM 363 CD1 TRP A 23 -6.992 -18.719 3.531 1.00 51.43 C ATOM 364 CD2 TRP A 23 -4.898 -19.453 3.840 1.00 33.44 C ATOM 365 NE1 TRP A 23 -6.394 -18.819 2.299 1.00 30.41 N ATOM 366 CE2 TRP A 23 -5.109 -19.268 2.464 1.00 4.12 C ATOM 367 CE3 TRP A 23 -3.648 -19.907 4.275 1.00 32.20 C ATOM 368 CZ2 TRP A 23 -4.120 -19.526 1.519 1.00 40.23 C ATOM 369 CZ3 TRP A 23 -2.667 -20.164 3.337 1.00 21.45 C ATOM 370 CH2 TRP A 23 -2.906 -19.970 1.972 1.00 61.45 C ATOM 0 H TRP A 23 -4.172 -17.964 5.845 1.00 13.02 H new ATOM 0 HA TRP A 23 -6.842 -17.039 6.285 1.00 42.12 H new ATOM 0 HB2 TRP A 23 -5.726 -19.866 6.443 1.00 25.22 H new ATOM 0 HB3 TRP A 23 -7.396 -19.411 6.166 1.00 25.22 H new ATOM 0 HD1 TRP A 23 -8.007 -18.392 3.703 1.00 51.43 H new ATOM 0 HE1 TRP A 23 -6.834 -18.596 1.406 1.00 30.41 H new ATOM 0 HE3 TRP A 23 -3.453 -20.054 5.327 1.00 32.20 H new ATOM 0 HZ2 TRP A 23 -4.304 -19.381 0.465 1.00 40.23 H new ATOM 0 HZ3 TRP A 23 -1.701 -20.520 3.662 1.00 21.45 H new ATOM 0 HH2 TRP A 23 -2.118 -20.174 1.262 1.00 61.45 H new ATOM 381 N SER A 24 -6.745 -16.798 8.757 1.00 62.21 N ATOM 382 CA SER A 24 -7.086 -16.747 10.177 1.00 44.31 C ATOM 383 C SER A 24 -7.529 -15.335 10.535 1.00 42.51 C ATOM 384 O SER A 24 -6.764 -14.382 10.390 1.00 23.42 O ATOM 385 CB SER A 24 -5.906 -17.180 11.060 1.00 65.23 C ATOM 386 OG SER A 24 -4.695 -16.559 10.659 1.00 22.14 O ATOM 0 H SER A 24 -6.925 -15.922 8.266 1.00 62.21 H new ATOM 0 HA SER A 24 -7.901 -17.447 10.362 1.00 44.31 H new ATOM 0 HB2 SER A 24 -6.117 -16.928 12.099 1.00 65.23 H new ATOM 0 HB3 SER A 24 -5.793 -18.263 11.011 1.00 65.23 H new ATOM 0 HG SER A 24 -3.943 -16.971 11.133 1.00 22.14 H new ATOM 392 N GLU A 25 -8.765 -15.201 11.001 1.00 2.32 N ATOM 393 CA GLU A 25 -9.368 -13.887 11.226 1.00 20.05 C ATOM 394 C GLU A 25 -8.619 -13.077 12.283 1.00 52.30 C ATOM 395 O GLU A 25 -8.549 -11.854 12.190 1.00 33.21 O ATOM 396 CB GLU A 25 -10.857 -14.001 11.593 1.00 73.22 C ATOM 397 CG GLU A 25 -11.182 -15.029 12.670 1.00 60.44 C ATOM 398 CD GLU A 25 -11.172 -16.447 12.144 1.00 3.30 C ATOM 399 OE1 GLU A 25 -12.151 -16.853 11.486 1.00 32.11 O ATOM 400 OE2 GLU A 25 -10.177 -17.162 12.373 1.00 5.32 O ATOM 0 H GLU A 25 -9.373 -15.987 11.232 1.00 2.32 H new ATOM 0 HA GLU A 25 -9.288 -13.349 10.281 1.00 20.05 H new ATOM 0 HB2 GLU A 25 -11.208 -13.025 11.927 1.00 73.22 H new ATOM 0 HB3 GLU A 25 -11.419 -14.251 10.693 1.00 73.22 H new ATOM 0 HG2 GLU A 25 -10.459 -14.941 13.481 1.00 60.44 H new ATOM 0 HG3 GLU A 25 -12.162 -14.809 13.093 1.00 60.44 H new ATOM 407 N ASP A 26 -8.050 -13.751 13.275 1.00 54.04 N ATOM 408 CA ASP A 26 -7.278 -13.063 14.312 1.00 42.12 C ATOM 409 C ASP A 26 -6.045 -12.407 13.708 1.00 70.43 C ATOM 410 O ASP A 26 -5.764 -11.232 13.946 1.00 41.42 O ATOM 411 CB ASP A 26 -6.846 -14.032 15.416 1.00 43.40 C ATOM 412 CG ASP A 26 -7.980 -14.421 16.341 1.00 23.15 C ATOM 413 OD1 ASP A 26 -8.707 -15.388 16.026 1.00 13.01 O ATOM 414 OD2 ASP A 26 -8.142 -13.771 17.397 1.00 30.15 O ATOM 0 H ASP A 26 -8.105 -14.763 13.387 1.00 54.04 H new ATOM 0 HA ASP A 26 -7.921 -12.299 14.749 1.00 42.12 H new ATOM 0 HB2 ASP A 26 -6.432 -14.931 14.960 1.00 43.40 H new ATOM 0 HB3 ASP A 26 -6.048 -13.575 16.001 1.00 43.40 H new ATOM 419 N HIS A 27 -5.328 -13.169 12.895 1.00 21.34 N ATOM 420 CA HIS A 27 -4.103 -12.684 12.274 1.00 72.14 C ATOM 421 C HIS A 27 -4.450 -11.674 11.183 1.00 61.40 C ATOM 422 O HIS A 27 -3.724 -10.710 10.952 1.00 34.22 O ATOM 423 CB HIS A 27 -3.290 -13.852 11.690 1.00 13.20 C ATOM 424 CG HIS A 27 -2.894 -14.901 12.698 1.00 53.53 C ATOM 425 ND1 HIS A 27 -1.608 -15.388 12.819 1.00 3.35 N ATOM 426 CD2 HIS A 27 -3.632 -15.582 13.613 1.00 20.02 C ATOM 427 CE1 HIS A 27 -1.577 -16.318 13.758 1.00 53.42 C ATOM 428 NE2 HIS A 27 -2.788 -16.451 14.255 1.00 10.42 N ATOM 0 H HIS A 27 -5.574 -14.128 12.649 1.00 21.34 H new ATOM 0 HA HIS A 27 -3.491 -12.195 13.032 1.00 72.14 H new ATOM 0 HB2 HIS A 27 -3.874 -14.326 10.901 1.00 13.20 H new ATOM 0 HB3 HIS A 27 -2.388 -13.454 11.225 1.00 13.20 H new ATOM 0 HD2 HIS A 27 -4.689 -15.461 13.800 1.00 20.02 H new ATOM 0 HE1 HIS A 27 -0.704 -16.875 14.066 1.00 53.42 H new ATOM 0 HE2 HIS A 27 -3.056 -17.096 14.998 1.00 10.42 H new ATOM 437 N ARG A 28 -5.585 -11.902 10.537 1.00 22.24 N ATOM 438 CA ARG A 28 -6.107 -10.999 9.518 1.00 2.33 C ATOM 439 C ARG A 28 -6.492 -9.645 10.121 1.00 70.15 C ATOM 440 O ARG A 28 -6.290 -8.600 9.500 1.00 23.00 O ATOM 441 CB ARG A 28 -7.317 -11.657 8.834 1.00 40.44 C ATOM 442 CG ARG A 28 -8.260 -10.690 8.132 1.00 74.13 C ATOM 443 CD ARG A 28 -7.582 -9.935 6.998 1.00 41.13 C ATOM 444 NE ARG A 28 -8.466 -8.922 6.426 1.00 60.21 N ATOM 445 CZ ARG A 28 -8.221 -7.610 6.461 1.00 55.30 C ATOM 446 NH1 ARG A 28 -7.135 -7.148 7.078 1.00 21.55 N ATOM 447 NH2 ARG A 28 -9.079 -6.760 5.908 1.00 72.25 N ATOM 0 H ARG A 28 -6.172 -12.719 10.704 1.00 22.24 H new ATOM 0 HA ARG A 28 -5.329 -10.813 8.777 1.00 2.33 H new ATOM 0 HB2 ARG A 28 -6.954 -12.382 8.105 1.00 40.44 H new ATOM 0 HB3 ARG A 28 -7.881 -12.213 9.583 1.00 40.44 H new ATOM 0 HG2 ARG A 28 -9.113 -11.242 7.738 1.00 74.13 H new ATOM 0 HG3 ARG A 28 -8.650 -9.976 8.858 1.00 74.13 H new ATOM 0 HD2 ARG A 28 -6.673 -9.460 7.368 1.00 41.13 H new ATOM 0 HD3 ARG A 28 -7.281 -10.637 6.221 1.00 41.13 H new ATOM 0 HE ARG A 28 -9.323 -9.237 5.972 1.00 60.21 H new ATOM 0 HH11 ARG A 28 -6.488 -7.797 7.525 1.00 21.55 H new ATOM 0 HH12 ARG A 28 -6.950 -6.145 7.103 1.00 21.55 H new ATOM 0 HH21 ARG A 28 -9.924 -7.110 5.457 1.00 72.25 H new ATOM 0 HH22 ARG A 28 -8.892 -5.758 5.934 1.00 72.25 H new ATOM 461 N SER A 29 -7.042 -9.666 11.324 1.00 33.30 N ATOM 462 CA SER A 29 -7.523 -8.447 11.954 1.00 52.05 C ATOM 463 C SER A 29 -6.370 -7.620 12.522 1.00 12.01 C ATOM 464 O SER A 29 -6.360 -6.394 12.406 1.00 71.45 O ATOM 465 CB SER A 29 -8.527 -8.780 13.061 1.00 40.42 C ATOM 466 OG SER A 29 -9.184 -7.612 13.525 1.00 54.54 O ATOM 0 H SER A 29 -7.166 -10.510 11.882 1.00 33.30 H new ATOM 0 HA SER A 29 -8.020 -7.851 11.188 1.00 52.05 H new ATOM 0 HB2 SER A 29 -9.264 -9.490 12.686 1.00 40.42 H new ATOM 0 HB3 SER A 29 -8.011 -9.264 13.890 1.00 40.42 H new ATOM 0 HG SER A 29 -9.820 -7.853 14.230 1.00 54.54 H new ATOM 472 N ARG A 30 -5.385 -8.287 13.120 1.00 34.33 N ATOM 473 CA ARG A 30 -4.292 -7.578 13.784 1.00 33.12 C ATOM 474 C ARG A 30 -3.448 -6.773 12.793 1.00 45.02 C ATOM 475 O ARG A 30 -2.952 -5.698 13.129 1.00 0.42 O ATOM 476 CB ARG A 30 -3.398 -8.538 14.581 1.00 13.43 C ATOM 477 CG ARG A 30 -2.583 -9.491 13.728 1.00 61.33 C ATOM 478 CD ARG A 30 -1.611 -10.292 14.577 1.00 44.40 C ATOM 479 NE ARG A 30 -0.693 -9.427 15.320 1.00 70.42 N ATOM 480 CZ ARG A 30 0.509 -9.802 15.758 1.00 42.24 C ATOM 481 NH1 ARG A 30 0.959 -11.030 15.522 1.00 10.35 N ATOM 482 NH2 ARG A 30 1.257 -8.941 16.435 1.00 32.13 N ATOM 0 H ARG A 30 -5.320 -9.304 13.159 1.00 34.33 H new ATOM 0 HA ARG A 30 -4.754 -6.879 14.481 1.00 33.12 H new ATOM 0 HB2 ARG A 30 -2.718 -7.952 15.200 1.00 13.43 H new ATOM 0 HB3 ARG A 30 -4.024 -9.120 15.258 1.00 13.43 H new ATOM 0 HG2 ARG A 30 -3.250 -10.169 13.197 1.00 61.33 H new ATOM 0 HG3 ARG A 30 -2.033 -8.929 12.973 1.00 61.33 H new ATOM 0 HD2 ARG A 30 -2.168 -10.915 15.276 1.00 44.40 H new ATOM 0 HD3 ARG A 30 -1.039 -10.964 13.937 1.00 44.40 H new ATOM 0 HE ARG A 30 -0.994 -8.472 15.516 1.00 70.42 H new ATOM 0 HH11 ARG A 30 0.384 -11.693 15.003 1.00 10.35 H new ATOM 0 HH12 ARG A 30 1.880 -11.310 15.860 1.00 10.35 H new ATOM 0 HH21 ARG A 30 0.912 -7.999 16.618 1.00 32.13 H new ATOM 0 HH22 ARG A 30 2.178 -9.221 16.773 1.00 32.13 H new ATOM 496 N VAL A 31 -3.294 -7.282 11.570 1.00 41.04 N ATOM 497 CA VAL A 31 -2.470 -6.609 10.564 1.00 32.43 C ATOM 498 C VAL A 31 -3.076 -5.269 10.150 1.00 54.33 C ATOM 499 O VAL A 31 -2.399 -4.432 9.557 1.00 73.53 O ATOM 500 CB VAL A 31 -2.240 -7.475 9.304 1.00 35.44 C ATOM 501 CG1 VAL A 31 -1.570 -8.788 9.671 1.00 13.31 C ATOM 502 CG2 VAL A 31 -3.540 -7.727 8.557 1.00 63.30 C ATOM 0 H VAL A 31 -3.725 -8.151 11.253 1.00 41.04 H new ATOM 0 HA VAL A 31 -1.504 -6.439 11.039 1.00 32.43 H new ATOM 0 HB VAL A 31 -1.577 -6.922 8.639 1.00 35.44 H new ATOM 0 HG11 VAL A 31 -1.417 -9.383 8.770 1.00 13.31 H new ATOM 0 HG12 VAL A 31 -0.607 -8.586 10.141 1.00 13.31 H new ATOM 0 HG13 VAL A 31 -2.204 -9.338 10.366 1.00 13.31 H new ATOM 0 HG21 VAL A 31 -3.341 -8.339 7.677 1.00 63.30 H new ATOM 0 HG22 VAL A 31 -4.240 -8.248 9.210 1.00 63.30 H new ATOM 0 HG23 VAL A 31 -3.972 -6.775 8.247 1.00 63.30 H new ATOM 512 N LEU A 32 -4.350 -5.068 10.469 1.00 22.42 N ATOM 513 CA LEU A 32 -5.014 -3.800 10.195 1.00 43.41 C ATOM 514 C LEU A 32 -4.372 -2.689 11.020 1.00 54.03 C ATOM 515 O LEU A 32 -4.219 -1.561 10.556 1.00 34.44 O ATOM 516 CB LEU A 32 -6.511 -3.898 10.510 1.00 32.24 C ATOM 517 CG LEU A 32 -7.333 -2.649 10.177 1.00 13.35 C ATOM 518 CD1 LEU A 32 -7.312 -2.372 8.682 1.00 64.41 C ATOM 519 CD2 LEU A 32 -8.764 -2.803 10.675 1.00 23.42 C ATOM 0 H LEU A 32 -4.943 -5.767 10.917 1.00 22.42 H new ATOM 0 HA LEU A 32 -4.901 -3.567 9.136 1.00 43.41 H new ATOM 0 HB2 LEU A 32 -6.926 -4.743 9.961 1.00 32.24 H new ATOM 0 HB3 LEU A 32 -6.629 -4.118 11.571 1.00 32.24 H new ATOM 0 HG LEU A 32 -6.882 -1.797 10.686 1.00 13.35 H new ATOM 0 HD11 LEU A 32 -7.902 -1.481 8.469 1.00 64.41 H new ATOM 0 HD12 LEU A 32 -6.284 -2.213 8.356 1.00 64.41 H new ATOM 0 HD13 LEU A 32 -7.735 -3.223 8.148 1.00 64.41 H new ATOM 0 HD21 LEU A 32 -9.333 -1.906 10.430 1.00 23.42 H new ATOM 0 HD22 LEU A 32 -9.225 -3.667 10.197 1.00 23.42 H new ATOM 0 HD23 LEU A 32 -8.760 -2.946 11.756 1.00 23.42 H new ATOM 531 N ARG A 33 -3.973 -3.028 12.240 1.00 74.43 N ATOM 532 CA ARG A 33 -3.301 -2.081 13.118 1.00 23.11 C ATOM 533 C ARG A 33 -1.886 -1.814 12.614 1.00 45.33 C ATOM 534 O ARG A 33 -1.361 -0.706 12.741 1.00 33.40 O ATOM 535 CB ARG A 33 -3.255 -2.606 14.560 1.00 34.32 C ATOM 536 CG ARG A 33 -4.578 -2.513 15.314 1.00 30.20 C ATOM 537 CD ARG A 33 -5.625 -3.472 14.773 1.00 63.13 C ATOM 538 NE ARG A 33 -6.902 -3.342 15.477 1.00 20.53 N ATOM 539 CZ ARG A 33 -7.945 -4.152 15.291 1.00 2.31 C ATOM 540 NH1 ARG A 33 -7.874 -5.149 14.417 1.00 64.15 N ATOM 541 NH2 ARG A 33 -9.064 -3.963 15.979 1.00 15.24 N ATOM 0 H ARG A 33 -4.104 -3.955 12.644 1.00 74.43 H new ATOM 0 HA ARG A 33 -3.866 -1.149 13.111 1.00 23.11 H new ATOM 0 HB2 ARG A 33 -2.934 -3.648 14.543 1.00 34.32 H new ATOM 0 HB3 ARG A 33 -2.498 -2.048 15.111 1.00 34.32 H new ATOM 0 HG2 ARG A 33 -4.407 -2.725 16.369 1.00 30.20 H new ATOM 0 HG3 ARG A 33 -4.957 -1.493 15.251 1.00 30.20 H new ATOM 0 HD2 ARG A 33 -5.776 -3.283 13.710 1.00 63.13 H new ATOM 0 HD3 ARG A 33 -5.262 -4.496 14.866 1.00 63.13 H new ATOM 0 HE ARG A 33 -7.000 -2.584 16.152 1.00 20.53 H new ATOM 0 HH11 ARG A 33 -7.018 -5.299 13.883 1.00 64.15 H new ATOM 0 HH12 ARG A 33 -8.675 -5.765 14.280 1.00 64.15 H new ATOM 0 HH21 ARG A 33 -9.127 -3.198 16.651 1.00 15.24 H new ATOM 0 HH22 ARG A 33 -9.861 -4.583 15.836 1.00 15.24 H new ATOM 555 N TYR A 34 -1.285 -2.840 12.019 1.00 45.42 N ATOM 556 CA TYR A 34 0.070 -2.741 11.490 1.00 75.01 C ATOM 557 C TYR A 34 0.062 -1.914 10.208 1.00 71.43 C ATOM 558 O TYR A 34 1.069 -1.310 9.836 1.00 74.30 O ATOM 559 CB TYR A 34 0.632 -4.144 11.228 1.00 2.35 C ATOM 560 CG TYR A 34 2.134 -4.188 11.058 1.00 12.54 C ATOM 561 CD1 TYR A 34 2.975 -4.049 12.156 1.00 14.42 C ATOM 562 CD2 TYR A 34 2.712 -4.381 9.810 1.00 62.13 C ATOM 563 CE1 TYR A 34 4.347 -4.097 12.013 1.00 23.35 C ATOM 564 CE2 TYR A 34 4.086 -4.430 9.660 1.00 70.13 C ATOM 565 CZ TYR A 34 4.897 -4.287 10.766 1.00 12.54 C ATOM 566 OH TYR A 34 6.266 -4.337 10.623 1.00 44.31 O ATOM 0 H TYR A 34 -1.719 -3.754 11.891 1.00 45.42 H new ATOM 0 HA TYR A 34 0.710 -2.245 12.220 1.00 75.01 H new ATOM 0 HB2 TYR A 34 0.352 -4.796 12.056 1.00 2.35 H new ATOM 0 HB3 TYR A 34 0.164 -4.549 10.331 1.00 2.35 H new ATOM 0 HD1 TYR A 34 2.548 -3.901 13.137 1.00 14.42 H new ATOM 0 HD2 TYR A 34 2.078 -4.495 8.943 1.00 62.13 H new ATOM 0 HE1 TYR A 34 4.986 -3.986 12.876 1.00 23.35 H new ATOM 0 HE2 TYR A 34 4.521 -4.579 8.683 1.00 70.13 H new ATOM 0 HH TYR A 34 6.624 -3.426 10.576 1.00 44.31 H new ATOM 576 N LEU A 35 -1.100 -1.883 9.555 1.00 61.22 N ATOM 577 CA LEU A 35 -1.304 -1.089 8.344 1.00 21.45 C ATOM 578 C LEU A 35 -1.087 0.395 8.634 1.00 20.21 C ATOM 579 O LEU A 35 -0.637 1.147 7.781 1.00 62.01 O ATOM 580 CB LEU A 35 -2.724 -1.312 7.810 1.00 24.11 C ATOM 581 CG LEU A 35 -3.064 -0.598 6.500 1.00 12.45 C ATOM 582 CD1 LEU A 35 -2.349 -1.256 5.333 1.00 41.23 C ATOM 583 CD2 LEU A 35 -4.567 -0.597 6.272 1.00 13.21 C ATOM 0 H LEU A 35 -1.924 -2.406 9.850 1.00 61.22 H new ATOM 0 HA LEU A 35 -0.581 -1.407 7.593 1.00 21.45 H new ATOM 0 HB2 LEU A 35 -2.874 -2.382 7.668 1.00 24.11 H new ATOM 0 HB3 LEU A 35 -3.433 -0.989 8.572 1.00 24.11 H new ATOM 0 HG LEU A 35 -2.724 0.435 6.572 1.00 12.45 H new ATOM 0 HD11 LEU A 35 -2.603 -0.735 4.410 1.00 41.23 H new ATOM 0 HD12 LEU A 35 -1.272 -1.208 5.492 1.00 41.23 H new ATOM 0 HD13 LEU A 35 -2.658 -2.298 5.258 1.00 41.23 H new ATOM 0 HD21 LEU A 35 -4.793 -0.086 5.336 1.00 13.21 H new ATOM 0 HD22 LEU A 35 -4.928 -1.624 6.220 1.00 13.21 H new ATOM 0 HD23 LEU A 35 -5.060 -0.080 7.096 1.00 13.21 H new ATOM 595 N GLU A 36 -1.410 0.797 9.851 1.00 25.22 N ATOM 596 CA GLU A 36 -1.242 2.179 10.283 1.00 43.42 C ATOM 597 C GLU A 36 0.225 2.492 10.554 1.00 53.51 C ATOM 598 O GLU A 36 0.668 3.629 10.408 1.00 35.03 O ATOM 599 CB GLU A 36 -2.064 2.425 11.548 1.00 25.24 C ATOM 600 CG GLU A 36 -3.559 2.268 11.345 1.00 65.31 C ATOM 601 CD GLU A 36 -4.208 3.491 10.733 1.00 21.41 C ATOM 602 OE1 GLU A 36 -3.482 4.406 10.286 1.00 31.42 O ATOM 603 OE2 GLU A 36 -5.456 3.558 10.727 1.00 53.31 O ATOM 0 H GLU A 36 -1.795 0.180 10.567 1.00 25.22 H new ATOM 0 HA GLU A 36 -1.590 2.834 9.485 1.00 43.42 H new ATOM 0 HB2 GLU A 36 -1.737 1.732 12.323 1.00 25.24 H new ATOM 0 HB3 GLU A 36 -1.860 3.432 11.913 1.00 25.24 H new ATOM 0 HG2 GLU A 36 -3.744 1.407 10.703 1.00 65.31 H new ATOM 0 HG3 GLU A 36 -4.030 2.057 12.305 1.00 65.31 H new ATOM 610 N LEU A 37 0.972 1.470 10.953 1.00 12.32 N ATOM 611 CA LEU A 37 2.337 1.653 11.430 1.00 61.42 C ATOM 612 C LEU A 37 3.327 1.774 10.267 1.00 71.42 C ATOM 613 O LEU A 37 3.936 2.825 10.068 1.00 72.41 O ATOM 614 CB LEU A 37 2.720 0.479 12.347 1.00 63.22 C ATOM 615 CG LEU A 37 3.795 0.766 13.405 1.00 40.00 C ATOM 616 CD1 LEU A 37 3.927 -0.416 14.349 1.00 0.02 C ATOM 617 CD2 LEU A 37 5.139 1.068 12.765 1.00 33.30 C ATOM 0 H LEU A 37 0.653 0.501 10.955 1.00 12.32 H new ATOM 0 HA LEU A 37 2.385 2.585 11.994 1.00 61.42 H new ATOM 0 HB2 LEU A 37 1.820 0.136 12.858 1.00 63.22 H new ATOM 0 HB3 LEU A 37 3.066 -0.345 11.722 1.00 63.22 H new ATOM 0 HG LEU A 37 3.483 1.647 13.966 1.00 40.00 H new ATOM 0 HD11 LEU A 37 4.692 -0.202 15.095 1.00 0.02 H new ATOM 0 HD12 LEU A 37 2.974 -0.592 14.847 1.00 0.02 H new ATOM 0 HD13 LEU A 37 4.210 -1.304 13.783 1.00 0.02 H new ATOM 0 HD21 LEU A 37 5.876 1.266 13.543 1.00 33.30 H new ATOM 0 HD22 LEU A 37 5.460 0.212 12.171 1.00 33.30 H new ATOM 0 HD23 LEU A 37 5.047 1.943 12.121 1.00 33.30 H new ATOM 629 N TYR A 38 3.481 0.703 9.498 1.00 1.42 N ATOM 630 CA TYR A 38 4.519 0.649 8.471 1.00 2.21 C ATOM 631 C TYR A 38 3.960 0.868 7.072 1.00 62.14 C ATOM 632 O TYR A 38 4.690 0.768 6.086 1.00 61.41 O ATOM 633 CB TYR A 38 5.250 -0.695 8.523 1.00 72.53 C ATOM 634 CG TYR A 38 6.561 -0.658 9.275 1.00 64.34 C ATOM 635 CD1 TYR A 38 7.691 -0.102 8.695 1.00 53.40 C ATOM 636 CD2 TYR A 38 6.676 -1.192 10.551 1.00 55.53 C ATOM 637 CE1 TYR A 38 8.898 -0.077 9.362 1.00 61.22 C ATOM 638 CE2 TYR A 38 7.882 -1.168 11.228 1.00 34.22 C ATOM 639 CZ TYR A 38 8.990 -0.609 10.627 1.00 40.14 C ATOM 640 OH TYR A 38 10.198 -0.591 11.288 1.00 70.32 O ATOM 0 H TYR A 38 2.905 -0.136 9.564 1.00 1.42 H new ATOM 0 HA TYR A 38 5.217 1.459 8.683 1.00 2.21 H new ATOM 0 HB2 TYR A 38 4.597 -1.433 8.989 1.00 72.53 H new ATOM 0 HB3 TYR A 38 5.438 -1.034 7.504 1.00 72.53 H new ATOM 0 HD1 TYR A 38 7.625 0.319 7.703 1.00 53.40 H new ATOM 0 HD2 TYR A 38 5.810 -1.633 11.023 1.00 55.53 H new ATOM 0 HE1 TYR A 38 9.768 0.359 8.893 1.00 61.22 H new ATOM 0 HE2 TYR A 38 7.955 -1.585 12.222 1.00 34.22 H new ATOM 0 HH TYR A 38 10.094 -1.004 12.171 1.00 70.32 H new ATOM 650 N ILE A 39 2.682 1.189 6.975 1.00 11.04 N ATOM 651 CA ILE A 39 2.055 1.366 5.694 1.00 43.33 C ATOM 652 C ILE A 39 1.487 2.769 5.612 1.00 13.11 C ATOM 653 O ILE A 39 0.801 3.234 6.521 1.00 60.23 O ATOM 654 CB ILE A 39 0.937 0.331 5.431 1.00 30.54 C ATOM 655 CG1 ILE A 39 1.430 -1.094 5.714 1.00 41.14 C ATOM 656 CG2 ILE A 39 0.445 0.441 3.993 1.00 1.14 C ATOM 657 CD1 ILE A 39 2.561 -1.546 4.813 1.00 1.33 C ATOM 0 H ILE A 39 2.064 1.331 7.774 1.00 11.04 H new ATOM 0 HA ILE A 39 2.815 1.213 4.928 1.00 43.33 H new ATOM 0 HB ILE A 39 0.109 0.546 6.107 1.00 30.54 H new ATOM 0 HG12 ILE A 39 1.760 -1.154 6.751 1.00 41.14 H new ATOM 0 HG13 ILE A 39 0.594 -1.785 5.605 1.00 41.14 H new ATOM 0 HG21 ILE A 39 -0.342 -0.293 3.821 1.00 1.14 H new ATOM 0 HG22 ILE A 39 0.052 1.442 3.819 1.00 1.14 H new ATOM 0 HG23 ILE A 39 1.273 0.252 3.310 1.00 1.14 H new ATOM 0 HD11 ILE A 39 2.852 -2.563 5.077 1.00 1.33 H new ATOM 0 HD12 ILE A 39 2.231 -1.521 3.774 1.00 1.33 H new ATOM 0 HD13 ILE A 39 3.415 -0.880 4.939 1.00 1.33 H new ATOM 669 N PHE A 40 1.831 3.437 4.534 1.00 22.22 N ATOM 670 CA PHE A 40 1.404 4.812 4.271 1.00 22.33 C ATOM 671 C PHE A 40 1.994 5.780 5.306 1.00 44.12 C ATOM 672 O PHE A 40 1.259 6.540 5.935 1.00 72.15 O ATOM 673 CB PHE A 40 -0.129 4.933 4.282 1.00 43.00 C ATOM 674 CG PHE A 40 -0.842 4.021 3.322 1.00 10.21 C ATOM 675 CD1 PHE A 40 -0.562 4.058 1.964 1.00 5.42 C ATOM 676 CD2 PHE A 40 -1.802 3.133 3.781 1.00 64.33 C ATOM 677 CE1 PHE A 40 -1.226 3.226 1.083 1.00 21.25 C ATOM 678 CE2 PHE A 40 -2.469 2.297 2.904 1.00 52.32 C ATOM 679 CZ PHE A 40 -2.180 2.345 1.552 1.00 62.32 C ATOM 0 H PHE A 40 2.422 3.045 3.801 1.00 22.22 H new ATOM 0 HA PHE A 40 1.773 5.077 3.280 1.00 22.33 H new ATOM 0 HB2 PHE A 40 -0.488 4.728 5.290 1.00 43.00 H new ATOM 0 HB3 PHE A 40 -0.399 5.963 4.051 1.00 43.00 H new ATOM 0 HD1 PHE A 40 0.183 4.745 1.591 1.00 5.42 H new ATOM 0 HD2 PHE A 40 -2.032 3.093 4.836 1.00 64.33 H new ATOM 0 HE1 PHE A 40 -0.999 3.265 0.028 1.00 21.25 H new ATOM 0 HE2 PHE A 40 -3.214 1.608 3.274 1.00 52.32 H new ATOM 0 HZ PHE A 40 -2.700 1.694 0.864 1.00 62.32 H new ATOM 689 N PRO A 41 3.333 5.793 5.479 1.00 74.54 N ATOM 690 CA PRO A 41 3.977 6.611 6.513 1.00 64.41 C ATOM 691 C PRO A 41 3.779 8.110 6.283 1.00 71.33 C ATOM 692 O PRO A 41 3.283 8.816 7.157 1.00 43.22 O ATOM 693 CB PRO A 41 5.461 6.239 6.405 1.00 45.22 C ATOM 694 CG PRO A 41 5.623 5.677 5.036 1.00 64.10 C ATOM 695 CD PRO A 41 4.315 5.022 4.698 1.00 44.22 C ATOM 0 HA PRO A 41 3.552 6.419 7.498 1.00 64.41 H new ATOM 0 HB2 PRO A 41 6.097 7.112 6.550 1.00 45.22 H new ATOM 0 HB3 PRO A 41 5.741 5.510 7.166 1.00 45.22 H new ATOM 0 HG2 PRO A 41 5.863 6.462 4.318 1.00 64.10 H new ATOM 0 HG3 PRO A 41 6.440 4.956 5.005 1.00 64.10 H new ATOM 0 HD2 PRO A 41 4.106 5.071 3.629 1.00 44.22 H new ATOM 0 HD3 PRO A 41 4.310 3.968 4.976 1.00 44.22 H new ATOM 703 N HIS A 42 4.170 8.593 5.110 1.00 64.31 N ATOM 704 CA HIS A 42 4.010 10.004 4.775 1.00 64.52 C ATOM 705 C HIS A 42 2.858 10.198 3.790 1.00 11.20 C ATOM 706 O HIS A 42 2.411 11.314 3.550 1.00 21.13 O ATOM 707 CB HIS A 42 5.321 10.554 4.191 1.00 22.21 C ATOM 708 CG HIS A 42 5.348 12.046 4.013 1.00 51.12 C ATOM 709 ND1 HIS A 42 5.700 12.916 5.020 1.00 41.50 N ATOM 710 CD2 HIS A 42 5.077 12.817 2.932 1.00 51.35 C ATOM 711 CE1 HIS A 42 5.643 14.156 4.568 1.00 31.24 C ATOM 712 NE2 HIS A 42 5.270 14.123 3.302 1.00 61.24 N ATOM 0 H HIS A 42 4.599 8.030 4.376 1.00 64.31 H new ATOM 0 HA HIS A 42 3.771 10.556 5.684 1.00 64.52 H new ATOM 0 HB2 HIS A 42 6.144 10.264 4.844 1.00 22.21 H new ATOM 0 HB3 HIS A 42 5.499 10.082 3.225 1.00 22.21 H new ATOM 0 HD2 HIS A 42 4.766 12.467 1.959 1.00 51.35 H new ATOM 0 HE1 HIS A 42 5.864 15.046 5.138 1.00 31.24 H new ATOM 0 HE2 HIS A 42 5.146 14.936 2.698 1.00 61.24 H new ATOM 721 N ILE A 43 2.363 9.099 3.244 1.00 72.40 N ATOM 722 CA ILE A 43 1.404 9.161 2.146 1.00 74.22 C ATOM 723 C ILE A 43 0.020 8.671 2.564 1.00 40.12 C ATOM 724 O ILE A 43 -0.826 8.401 1.714 1.00 70.25 O ATOM 725 CB ILE A 43 1.888 8.342 0.932 1.00 33.35 C ATOM 726 CG1 ILE A 43 2.124 6.883 1.327 1.00 73.33 C ATOM 727 CG2 ILE A 43 3.156 8.959 0.360 1.00 62.13 C ATOM 728 CD1 ILE A 43 2.521 5.996 0.166 1.00 22.23 C ATOM 0 H ILE A 43 2.607 8.154 3.540 1.00 72.40 H new ATOM 0 HA ILE A 43 1.328 10.211 1.865 1.00 74.22 H new ATOM 0 HB ILE A 43 1.115 8.362 0.164 1.00 33.35 H new ATOM 0 HG12 ILE A 43 2.904 6.843 2.087 1.00 73.33 H new ATOM 0 HG13 ILE A 43 1.216 6.487 1.782 1.00 73.33 H new ATOM 0 HG21 ILE A 43 3.491 8.374 -0.497 1.00 62.13 H new ATOM 0 HG22 ILE A 43 2.952 9.982 0.044 1.00 62.13 H new ATOM 0 HG23 ILE A 43 3.935 8.963 1.123 1.00 62.13 H new ATOM 0 HD11 ILE A 43 2.671 4.977 0.522 1.00 22.23 H new ATOM 0 HD12 ILE A 43 1.732 6.005 -0.586 1.00 22.23 H new ATOM 0 HD13 ILE A 43 3.446 6.367 -0.275 1.00 22.23 H new ATOM 740 N GLY A 44 -0.206 8.564 3.869 1.00 31.24 N ATOM 741 CA GLY A 44 -1.459 8.020 4.375 1.00 43.14 C ATOM 742 C GLY A 44 -2.684 8.818 3.963 1.00 34.11 C ATOM 743 O GLY A 44 -3.770 8.263 3.819 1.00 14.22 O ATOM 0 H GLY A 44 0.458 8.845 4.591 1.00 31.24 H new ATOM 0 HA2 GLY A 44 -1.569 6.995 4.021 1.00 43.14 H new ATOM 0 HA3 GLY A 44 -1.413 7.978 5.463 1.00 43.14 H new ATOM 747 N SER A 45 -2.511 10.116 3.761 1.00 51.11 N ATOM 748 CA SER A 45 -3.633 10.990 3.442 1.00 2.40 C ATOM 749 C SER A 45 -3.777 11.217 1.936 1.00 42.20 C ATOM 750 O SER A 45 -4.468 12.144 1.505 1.00 64.20 O ATOM 751 CB SER A 45 -3.472 12.318 4.175 1.00 5.24 C ATOM 752 OG SER A 45 -3.439 12.110 5.577 1.00 33.24 O ATOM 0 H SER A 45 -1.608 10.587 3.812 1.00 51.11 H new ATOM 0 HA SER A 45 -4.547 10.499 3.776 1.00 2.40 H new ATOM 0 HB2 SER A 45 -2.554 12.809 3.853 1.00 5.24 H new ATOM 0 HB3 SER A 45 -4.296 12.984 3.919 1.00 5.24 H new ATOM 0 HG SER A 45 -3.334 12.971 6.033 1.00 33.24 H new ATOM 758 N SER A 46 -3.134 10.374 1.139 1.00 31.11 N ATOM 759 CA SER A 46 -3.239 10.475 -0.311 1.00 25.52 C ATOM 760 C SER A 46 -4.585 9.935 -0.793 1.00 32.42 C ATOM 761 O SER A 46 -5.336 9.332 -0.021 1.00 45.35 O ATOM 762 CB SER A 46 -2.100 9.705 -0.974 1.00 1.10 C ATOM 763 OG SER A 46 -0.851 10.088 -0.432 1.00 71.00 O ATOM 0 H SER A 46 -2.537 9.616 1.470 1.00 31.11 H new ATOM 0 HA SER A 46 -3.168 11.527 -0.589 1.00 25.52 H new ATOM 0 HB2 SER A 46 -2.249 8.634 -0.834 1.00 1.10 H new ATOM 0 HB3 SER A 46 -2.107 9.890 -2.048 1.00 1.10 H new ATOM 0 HG SER A 46 -0.664 9.554 0.368 1.00 71.00 H new ATOM 769 N ASP A 47 -4.890 10.158 -2.062 1.00 32.44 N ATOM 770 CA ASP A 47 -6.135 9.681 -2.645 1.00 25.33 C ATOM 771 C ASP A 47 -5.850 8.471 -3.527 1.00 13.12 C ATOM 772 O ASP A 47 -4.697 8.208 -3.868 1.00 5.34 O ATOM 773 CB ASP A 47 -6.792 10.795 -3.470 1.00 21.32 C ATOM 774 CG ASP A 47 -8.243 10.509 -3.808 1.00 74.32 C ATOM 775 OD1 ASP A 47 -8.504 9.771 -4.778 1.00 33.42 O ATOM 776 OD2 ASP A 47 -9.132 11.030 -3.104 1.00 31.30 O ATOM 0 H ASP A 47 -4.290 10.668 -2.710 1.00 32.44 H new ATOM 0 HA ASP A 47 -6.819 9.391 -1.848 1.00 25.33 H new ATOM 0 HB2 ASP A 47 -6.732 11.732 -2.917 1.00 21.32 H new ATOM 0 HB3 ASP A 47 -6.231 10.934 -4.394 1.00 21.32 H new ATOM 781 N ILE A 48 -6.888 7.734 -3.887 1.00 11.02 N ATOM 782 CA ILE A 48 -6.733 6.599 -4.783 1.00 2.34 C ATOM 783 C ILE A 48 -6.592 7.082 -6.221 1.00 33.04 C ATOM 784 O ILE A 48 -5.794 6.551 -6.990 1.00 22.44 O ATOM 785 CB ILE A 48 -7.920 5.609 -4.679 1.00 1.52 C ATOM 786 CG1 ILE A 48 -7.787 4.505 -5.734 1.00 21.44 C ATOM 787 CG2 ILE A 48 -9.252 6.338 -4.817 1.00 40.34 C ATOM 788 CD1 ILE A 48 -8.915 3.499 -5.721 1.00 24.01 C ATOM 0 H ILE A 48 -7.844 7.900 -3.574 1.00 11.02 H new ATOM 0 HA ILE A 48 -5.830 6.068 -4.481 1.00 2.34 H new ATOM 0 HB ILE A 48 -7.896 5.146 -3.692 1.00 1.52 H new ATOM 0 HG12 ILE A 48 -7.736 4.965 -6.721 1.00 21.44 H new ATOM 0 HG13 ILE A 48 -6.845 3.980 -5.578 1.00 21.44 H new ATOM 0 HG21 ILE A 48 -10.069 5.621 -4.740 1.00 40.34 H new ATOM 0 HG22 ILE A 48 -9.345 7.080 -4.024 1.00 40.34 H new ATOM 0 HG23 ILE A 48 -9.296 6.836 -5.786 1.00 40.34 H new ATOM 0 HD11 ILE A 48 -8.745 2.752 -6.497 1.00 24.01 H new ATOM 0 HD12 ILE A 48 -8.954 3.009 -4.748 1.00 24.01 H new ATOM 0 HD13 ILE A 48 -9.860 4.009 -5.909 1.00 24.01 H new ATOM 800 N ARG A 49 -7.348 8.118 -6.563 1.00 24.12 N ATOM 801 CA ARG A 49 -7.331 8.665 -7.910 1.00 4.21 C ATOM 802 C ARG A 49 -6.126 9.579 -8.068 1.00 24.22 C ATOM 803 O ARG A 49 -5.643 9.815 -9.177 1.00 54.43 O ATOM 804 CB ARG A 49 -8.627 9.433 -8.196 1.00 24.10 C ATOM 805 CG ARG A 49 -9.887 8.622 -7.932 1.00 1.42 C ATOM 806 CD ARG A 49 -11.142 9.379 -8.341 1.00 2.43 C ATOM 807 NE ARG A 49 -11.199 9.600 -9.787 1.00 24.13 N ATOM 808 CZ ARG A 49 -12.321 9.812 -10.472 1.00 5.13 C ATOM 809 NH1 ARG A 49 -13.495 9.799 -9.854 1.00 52.44 N ATOM 810 NH2 ARG A 49 -12.270 10.022 -11.783 1.00 24.41 N ATOM 0 H ARG A 49 -7.982 8.596 -5.922 1.00 24.12 H new ATOM 0 HA ARG A 49 -7.258 7.847 -8.627 1.00 4.21 H new ATOM 0 HB2 ARG A 49 -8.649 10.333 -7.582 1.00 24.10 H new ATOM 0 HB3 ARG A 49 -8.625 9.757 -9.237 1.00 24.10 H new ATOM 0 HG2 ARG A 49 -9.835 7.681 -8.480 1.00 1.42 H new ATOM 0 HG3 ARG A 49 -9.943 8.371 -6.873 1.00 1.42 H new ATOM 0 HD2 ARG A 49 -12.023 8.820 -8.024 1.00 2.43 H new ATOM 0 HD3 ARG A 49 -11.171 10.339 -7.826 1.00 2.43 H new ATOM 0 HE ARG A 49 -10.320 9.591 -10.305 1.00 24.13 H new ATOM 0 HH11 ARG A 49 -13.541 9.626 -8.850 1.00 52.44 H new ATOM 0 HH12 ARG A 49 -14.352 9.962 -10.383 1.00 52.44 H new ATOM 0 HH21 ARG A 49 -11.371 10.021 -12.265 1.00 24.41 H new ATOM 0 HH22 ARG A 49 -13.130 10.184 -12.307 1.00 24.41 H new ATOM 824 N GLN A 50 -5.638 10.076 -6.938 1.00 72.34 N ATOM 825 CA GLN A 50 -4.466 10.929 -6.916 1.00 0.53 C ATOM 826 C GLN A 50 -3.493 10.460 -5.858 1.00 54.24 C ATOM 827 O GLN A 50 -3.504 10.925 -4.717 1.00 13.30 O ATOM 828 CB GLN A 50 -4.842 12.384 -6.675 1.00 63.31 C ATOM 829 CG GLN A 50 -5.568 13.022 -7.842 1.00 40.44 C ATOM 830 CD GLN A 50 -4.664 13.354 -9.024 1.00 54.13 C ATOM 831 OE1 GLN A 50 -3.606 12.581 -9.225 1.00 22.31 O flip ATOM 832 NE2 GLN A 50 -4.923 14.304 -9.760 1.00 32.22 N flip ATOM 0 H GLN A 50 -6.043 9.898 -6.019 1.00 72.34 H new ATOM 0 HA GLN A 50 -3.988 10.862 -7.893 1.00 0.53 H new ATOM 0 HB2 GLN A 50 -5.472 12.446 -5.788 1.00 63.31 H new ATOM 0 HB3 GLN A 50 -3.938 12.955 -6.464 1.00 63.31 H new ATOM 0 HG2 GLN A 50 -6.357 12.349 -8.178 1.00 40.44 H new ATOM 0 HG3 GLN A 50 -6.053 13.936 -7.500 1.00 40.44 H new ATOM 0 HE21 GLN A 50 -5.745 14.880 -9.579 1.00 32.22 H new ATOM 0 HE22 GLN A 50 -4.316 14.516 -10.552 1.00 32.22 H new ATOM 841 N LEU A 51 -2.681 9.512 -6.250 1.00 35.45 N ATOM 842 CA LEU A 51 -1.660 8.960 -5.379 1.00 64.14 C ATOM 843 C LEU A 51 -0.329 9.656 -5.650 1.00 3.42 C ATOM 844 O LEU A 51 -0.154 10.276 -6.700 1.00 44.32 O ATOM 845 CB LEU A 51 -1.538 7.447 -5.599 1.00 4.13 C ATOM 846 CG LEU A 51 -0.650 6.707 -4.593 1.00 33.43 C ATOM 847 CD1 LEU A 51 -1.223 6.813 -3.187 1.00 54.50 C ATOM 848 CD2 LEU A 51 -0.490 5.248 -4.990 1.00 33.51 C ATOM 0 H LEU A 51 -2.704 9.097 -7.181 1.00 35.45 H new ATOM 0 HA LEU A 51 -1.940 9.129 -4.339 1.00 64.14 H new ATOM 0 HB2 LEU A 51 -2.536 7.010 -5.567 1.00 4.13 H new ATOM 0 HB3 LEU A 51 -1.146 7.273 -6.601 1.00 4.13 H new ATOM 0 HG LEU A 51 0.333 7.177 -4.600 1.00 33.43 H new ATOM 0 HD11 LEU A 51 -0.576 6.280 -2.490 1.00 54.50 H new ATOM 0 HD12 LEU A 51 -1.284 7.862 -2.897 1.00 54.50 H new ATOM 0 HD13 LEU A 51 -2.220 6.373 -3.166 1.00 54.50 H new ATOM 0 HD21 LEU A 51 0.144 4.740 -4.263 1.00 33.51 H new ATOM 0 HD22 LEU A 51 -1.469 4.768 -5.016 1.00 33.51 H new ATOM 0 HD23 LEU A 51 -0.030 5.188 -5.977 1.00 33.51 H new ATOM 860 N LYS A 52 0.596 9.561 -4.706 1.00 44.52 N ATOM 861 CA LYS A 52 1.868 10.263 -4.813 1.00 73.24 C ATOM 862 C LYS A 52 2.803 9.578 -5.801 1.00 73.54 C ATOM 863 O LYS A 52 2.651 8.393 -6.108 1.00 31.54 O ATOM 864 CB LYS A 52 2.546 10.358 -3.442 1.00 51.05 C ATOM 865 CG LYS A 52 1.676 10.995 -2.369 1.00 33.45 C ATOM 866 CD LYS A 52 1.139 12.346 -2.812 1.00 63.45 C ATOM 867 CE LYS A 52 0.262 12.979 -1.744 1.00 43.21 C ATOM 868 NZ LYS A 52 -0.438 14.187 -2.252 1.00 41.14 N ATOM 0 H LYS A 52 0.490 9.005 -3.857 1.00 44.52 H new ATOM 0 HA LYS A 52 1.657 11.267 -5.182 1.00 73.24 H new ATOM 0 HB2 LYS A 52 2.831 9.357 -3.118 1.00 51.05 H new ATOM 0 HB3 LYS A 52 3.465 10.935 -3.541 1.00 51.05 H new ATOM 0 HG2 LYS A 52 0.844 10.332 -2.134 1.00 33.45 H new ATOM 0 HG3 LYS A 52 2.256 11.116 -1.454 1.00 33.45 H new ATOM 0 HD2 LYS A 52 1.971 13.011 -3.041 1.00 63.45 H new ATOM 0 HD3 LYS A 52 0.565 12.226 -3.731 1.00 63.45 H new ATOM 0 HE2 LYS A 52 -0.472 12.252 -1.398 1.00 43.21 H new ATOM 0 HE3 LYS A 52 0.874 13.248 -0.883 1.00 43.21 H new ATOM 0 HZ1 LYS A 52 -1.026 14.591 -1.496 1.00 41.14 H new ATOM 0 HZ2 LYS A 52 0.263 14.891 -2.559 1.00 41.14 H new ATOM 0 HZ3 LYS A 52 -1.041 13.925 -3.058 1.00 41.14 H new ATOM 882 N THR A 53 3.763 10.340 -6.300 1.00 34.10 N ATOM 883 CA THR A 53 4.789 9.821 -7.183 1.00 35.02 C ATOM 884 C THR A 53 5.908 9.159 -6.382 1.00 0.24 C ATOM 885 O THR A 53 5.730 8.839 -5.204 1.00 42.34 O ATOM 886 CB THR A 53 5.360 10.947 -8.052 1.00 31.43 C ATOM 887 OG1 THR A 53 5.165 12.208 -7.394 1.00 3.01 O ATOM 888 CG2 THR A 53 4.702 10.958 -9.421 1.00 72.25 C ATOM 0 H THR A 53 3.851 11.337 -6.102 1.00 34.10 H new ATOM 0 HA THR A 53 4.336 9.069 -7.829 1.00 35.02 H new ATOM 0 HB THR A 53 6.427 10.776 -8.193 1.00 31.43 H new ATOM 0 HG1 THR A 53 5.988 12.465 -6.929 1.00 3.01 H new ATOM 0 HG21 THR A 53 5.123 11.765 -10.020 1.00 72.25 H new ATOM 0 HG22 THR A 53 4.881 10.005 -9.919 1.00 72.25 H new ATOM 0 HG23 THR A 53 3.629 11.112 -9.308 1.00 72.25 H new ATOM 896 N SER A 54 7.063 8.968 -7.013 1.00 43.23 N ATOM 897 CA SER A 54 8.193 8.270 -6.403 1.00 12.33 C ATOM 898 C SER A 54 8.774 9.029 -5.199 1.00 52.31 C ATOM 899 O SER A 54 9.813 8.654 -4.657 1.00 32.34 O ATOM 900 CB SER A 54 9.265 8.049 -7.463 1.00 34.21 C ATOM 901 OG SER A 54 8.702 7.417 -8.600 1.00 32.52 O ATOM 0 H SER A 54 7.243 9.293 -7.963 1.00 43.23 H new ATOM 0 HA SER A 54 7.836 7.314 -6.021 1.00 12.33 H new ATOM 0 HB2 SER A 54 9.707 9.003 -7.749 1.00 34.21 H new ATOM 0 HB3 SER A 54 10.069 7.435 -7.056 1.00 34.21 H new ATOM 0 HG SER A 54 9.154 7.736 -9.409 1.00 32.52 H new ATOM 907 N HIS A 55 8.092 10.084 -4.781 1.00 63.44 N ATOM 908 CA HIS A 55 8.449 10.808 -3.568 1.00 42.44 C ATOM 909 C HIS A 55 8.137 9.940 -2.358 1.00 3.35 C ATOM 910 O HIS A 55 8.750 10.076 -1.298 1.00 1.04 O ATOM 911 CB HIS A 55 7.686 12.134 -3.474 1.00 52.43 C ATOM 912 CG HIS A 55 8.014 13.103 -4.567 1.00 50.42 C ATOM 913 ND1 HIS A 55 7.862 13.003 -5.905 1.00 62.35 N flip ATOM 914 CD2 HIS A 55 8.551 14.349 -4.337 1.00 45.53 C flip ATOM 915 CE1 HIS A 55 8.302 14.180 -6.456 1.00 42.30 C flip ATOM 916 NE2 HIS A 55 8.714 14.975 -5.487 1.00 62.22 N flip ATOM 0 H HIS A 55 7.280 10.462 -5.269 1.00 63.44 H new ATOM 0 HA HIS A 55 9.515 11.035 -3.595 1.00 42.44 H new ATOM 0 HB2 HIS A 55 6.616 11.928 -3.494 1.00 52.43 H new ATOM 0 HB3 HIS A 55 7.903 12.599 -2.512 1.00 52.43 H new ATOM 0 HD2 HIS A 55 8.800 14.752 -3.366 1.00 45.53 H new ATOM 0 HE1 HIS A 55 8.310 14.417 -7.510 1.00 42.30 H new ATOM 0 HE2 HIS A 55 9.094 15.914 -5.607 1.00 62.22 H new ATOM 925 N LEU A 56 7.165 9.044 -2.529 1.00 1.43 N ATOM 926 CA LEU A 56 6.771 8.118 -1.470 1.00 21.12 C ATOM 927 C LEU A 56 7.897 7.139 -1.142 1.00 41.43 C ATOM 928 O LEU A 56 7.872 6.479 -0.106 1.00 43.42 O ATOM 929 CB LEU A 56 5.481 7.365 -1.855 1.00 44.34 C ATOM 930 CG LEU A 56 5.518 6.540 -3.151 1.00 73.22 C ATOM 931 CD1 LEU A 56 6.209 5.199 -2.943 1.00 73.11 C ATOM 932 CD2 LEU A 56 4.108 6.331 -3.677 1.00 40.51 C ATOM 0 H LEU A 56 6.635 8.941 -3.394 1.00 1.43 H new ATOM 0 HA LEU A 56 6.570 8.703 -0.573 1.00 21.12 H new ATOM 0 HB2 LEU A 56 5.221 6.696 -1.034 1.00 44.34 H new ATOM 0 HB3 LEU A 56 4.675 8.094 -1.940 1.00 44.34 H new ATOM 0 HG LEU A 56 6.097 7.099 -3.887 1.00 73.22 H new ATOM 0 HD11 LEU A 56 6.216 4.644 -3.881 1.00 73.11 H new ATOM 0 HD12 LEU A 56 7.234 5.365 -2.612 1.00 73.11 H new ATOM 0 HD13 LEU A 56 5.672 4.627 -2.187 1.00 73.11 H new ATOM 0 HD21 LEU A 56 4.145 5.745 -4.596 1.00 40.51 H new ATOM 0 HD22 LEU A 56 3.517 5.799 -2.931 1.00 40.51 H new ATOM 0 HD23 LEU A 56 3.649 7.298 -3.882 1.00 40.51 H new ATOM 944 N LEU A 57 8.881 7.051 -2.033 1.00 72.52 N ATOM 945 CA LEU A 57 10.007 6.145 -1.854 1.00 72.22 C ATOM 946 C LEU A 57 10.905 6.606 -0.704 1.00 12.14 C ATOM 947 O LEU A 57 11.607 5.801 -0.096 1.00 23.13 O ATOM 948 CB LEU A 57 10.816 6.051 -3.154 1.00 35.43 C ATOM 949 CG LEU A 57 12.017 5.104 -3.116 1.00 60.21 C ATOM 950 CD1 LEU A 57 11.565 3.674 -2.858 1.00 51.32 C ATOM 951 CD2 LEU A 57 12.798 5.185 -4.418 1.00 60.14 C ATOM 0 H LEU A 57 8.919 7.601 -2.891 1.00 72.52 H new ATOM 0 HA LEU A 57 9.617 5.159 -1.604 1.00 72.22 H new ATOM 0 HB2 LEU A 57 10.149 5.731 -3.954 1.00 35.43 H new ATOM 0 HB3 LEU A 57 11.170 7.049 -3.414 1.00 35.43 H new ATOM 0 HG LEU A 57 12.670 5.411 -2.299 1.00 60.21 H new ATOM 0 HD11 LEU A 57 12.434 3.016 -2.835 1.00 51.32 H new ATOM 0 HD12 LEU A 57 11.046 3.624 -1.901 1.00 51.32 H new ATOM 0 HD13 LEU A 57 10.891 3.356 -3.653 1.00 51.32 H new ATOM 0 HD21 LEU A 57 13.649 4.505 -4.375 1.00 60.14 H new ATOM 0 HD22 LEU A 57 12.151 4.904 -5.249 1.00 60.14 H new ATOM 0 HD23 LEU A 57 13.155 6.204 -4.565 1.00 60.14 H new ATOM 963 N ALA A 58 10.861 7.901 -0.398 1.00 20.14 N ATOM 964 CA ALA A 58 11.704 8.470 0.653 1.00 23.40 C ATOM 965 C ALA A 58 11.422 7.838 2.027 1.00 44.50 C ATOM 966 O ALA A 58 12.342 7.327 2.668 1.00 72.12 O ATOM 967 CB ALA A 58 11.557 9.986 0.700 1.00 22.42 C ATOM 0 H ALA A 58 10.252 8.575 -0.861 1.00 20.14 H new ATOM 0 HA ALA A 58 12.739 8.234 0.405 1.00 23.40 H new ATOM 0 HB1 ALA A 58 12.192 10.389 1.489 1.00 22.42 H new ATOM 0 HB2 ALA A 58 11.855 10.410 -0.259 1.00 22.42 H new ATOM 0 HB3 ALA A 58 10.518 10.245 0.904 1.00 22.42 H new ATOM 973 N PRO A 59 10.161 7.850 2.515 1.00 50.22 N ATOM 974 CA PRO A 59 9.820 7.206 3.788 1.00 31.43 C ATOM 975 C PRO A 59 9.922 5.685 3.727 1.00 11.33 C ATOM 976 O PRO A 59 10.104 5.025 4.747 1.00 12.30 O ATOM 977 CB PRO A 59 8.377 7.629 4.037 1.00 24.23 C ATOM 978 CG PRO A 59 7.833 7.965 2.697 1.00 34.33 C ATOM 979 CD PRO A 59 8.989 8.509 1.908 1.00 21.41 C ATOM 0 HA PRO A 59 10.508 7.504 4.579 1.00 31.43 H new ATOM 0 HB2 PRO A 59 7.806 6.826 4.504 1.00 24.23 H new ATOM 0 HB3 PRO A 59 8.328 8.487 4.708 1.00 24.23 H new ATOM 0 HG2 PRO A 59 7.411 7.083 2.214 1.00 34.33 H new ATOM 0 HG3 PRO A 59 7.032 8.700 2.774 1.00 34.33 H new ATOM 0 HD2 PRO A 59 8.899 8.271 0.848 1.00 21.41 H new ATOM 0 HD3 PRO A 59 9.053 9.594 1.987 1.00 21.41 H new ATOM 987 N ILE A 60 9.799 5.126 2.532 1.00 52.10 N ATOM 988 CA ILE A 60 9.958 3.690 2.347 1.00 12.34 C ATOM 989 C ILE A 60 11.433 3.323 2.452 1.00 55.21 C ATOM 990 O ILE A 60 11.789 2.202 2.797 1.00 45.52 O ATOM 991 CB ILE A 60 9.390 3.228 0.981 1.00 15.32 C ATOM 992 CG1 ILE A 60 7.892 3.541 0.892 1.00 73.13 C ATOM 993 CG2 ILE A 60 9.636 1.740 0.747 1.00 11.24 C ATOM 994 CD1 ILE A 60 7.060 2.885 1.976 1.00 24.42 C ATOM 0 H ILE A 60 9.590 5.643 1.678 1.00 52.10 H new ATOM 0 HA ILE A 60 9.396 3.180 3.129 1.00 12.34 H new ATOM 0 HB ILE A 60 9.914 3.779 0.200 1.00 15.32 H new ATOM 0 HG12 ILE A 60 7.753 4.621 0.945 1.00 73.13 H new ATOM 0 HG13 ILE A 60 7.521 3.219 -0.081 1.00 73.13 H new ATOM 0 HG21 ILE A 60 9.225 1.451 -0.220 1.00 11.24 H new ATOM 0 HG22 ILE A 60 10.708 1.542 0.759 1.00 11.24 H new ATOM 0 HG23 ILE A 60 9.151 1.163 1.535 1.00 11.24 H new ATOM 0 HD11 ILE A 60 6.012 3.155 1.844 1.00 24.42 H new ATOM 0 HD12 ILE A 60 7.167 1.802 1.911 1.00 24.42 H new ATOM 0 HD13 ILE A 60 7.402 3.225 2.953 1.00 24.42 H new ATOM 1006 N LYS A 61 12.296 4.288 2.184 1.00 55.15 N ATOM 1007 CA LYS A 61 13.725 4.033 2.221 1.00 42.41 C ATOM 1008 C LYS A 61 14.202 3.817 3.655 1.00 1.31 C ATOM 1009 O LYS A 61 15.030 2.945 3.916 1.00 63.11 O ATOM 1010 CB LYS A 61 14.512 5.168 1.560 1.00 51.41 C ATOM 1011 CG LYS A 61 16.000 4.871 1.448 1.00 14.02 C ATOM 1012 CD LYS A 61 16.230 3.473 0.896 1.00 71.13 C ATOM 1013 CE LYS A 61 17.704 3.113 0.845 1.00 43.40 C ATOM 1014 NZ LYS A 61 17.903 1.675 0.530 1.00 42.43 N ATOM 0 H LYS A 61 12.036 5.244 1.941 1.00 55.15 H new ATOM 0 HA LYS A 61 13.911 3.121 1.654 1.00 42.41 H new ATOM 0 HB2 LYS A 61 14.108 5.352 0.565 1.00 51.41 H new ATOM 0 HB3 LYS A 61 14.372 6.083 2.135 1.00 51.41 H new ATOM 0 HG2 LYS A 61 16.475 5.606 0.798 1.00 14.02 H new ATOM 0 HG3 LYS A 61 16.469 4.962 2.428 1.00 14.02 H new ATOM 0 HD2 LYS A 61 15.702 2.748 1.515 1.00 71.13 H new ATOM 0 HD3 LYS A 61 15.806 3.405 -0.106 1.00 71.13 H new ATOM 0 HE2 LYS A 61 18.203 3.724 0.092 1.00 43.40 H new ATOM 0 HE3 LYS A 61 18.169 3.344 1.803 1.00 43.40 H new ATOM 0 HZ1 LYS A 61 18.900 1.508 0.286 1.00 42.43 H new ATOM 0 HZ2 LYS A 61 17.648 1.100 1.358 1.00 42.43 H new ATOM 0 HZ3 LYS A 61 17.301 1.409 -0.275 1.00 42.43 H new ATOM 1028 N GLU A 62 13.669 4.598 4.585 1.00 23.31 N ATOM 1029 CA GLU A 62 14.069 4.477 5.974 1.00 52.11 C ATOM 1030 C GLU A 62 13.538 3.180 6.582 1.00 4.53 C ATOM 1031 O GLU A 62 14.196 2.569 7.424 1.00 43.50 O ATOM 1032 CB GLU A 62 13.603 5.687 6.785 1.00 61.32 C ATOM 1033 CG GLU A 62 12.097 5.835 6.882 1.00 71.21 C ATOM 1034 CD GLU A 62 11.690 6.890 7.884 1.00 32.43 C ATOM 1035 OE1 GLU A 62 11.655 6.581 9.092 1.00 24.02 O ATOM 1036 OE2 GLU A 62 11.415 8.037 7.473 1.00 42.02 O ATOM 0 H GLU A 62 12.966 5.314 4.403 1.00 23.31 H new ATOM 0 HA GLU A 62 15.158 4.447 6.008 1.00 52.11 H new ATOM 0 HB2 GLU A 62 14.014 5.614 7.792 1.00 61.32 H new ATOM 0 HB3 GLU A 62 14.016 6.590 6.337 1.00 61.32 H new ATOM 0 HG2 GLU A 62 11.695 6.093 5.902 1.00 71.21 H new ATOM 0 HG3 GLU A 62 11.657 4.879 7.165 1.00 71.21 H new ATOM 1043 N VAL A 63 12.355 2.746 6.143 1.00 23.33 N ATOM 1044 CA VAL A 63 11.802 1.485 6.614 1.00 70.42 C ATOM 1045 C VAL A 63 12.554 0.324 5.965 1.00 31.44 C ATOM 1046 O VAL A 63 12.735 -0.732 6.569 1.00 63.10 O ATOM 1047 CB VAL A 63 10.275 1.367 6.354 1.00 15.10 C ATOM 1048 CG1 VAL A 63 9.547 2.586 6.896 1.00 63.34 C ATOM 1049 CG2 VAL A 63 9.956 1.168 4.883 1.00 30.43 C ATOM 0 H VAL A 63 11.772 3.245 5.471 1.00 23.33 H new ATOM 0 HA VAL A 63 11.933 1.449 7.696 1.00 70.42 H new ATOM 0 HB VAL A 63 9.926 0.480 6.882 1.00 15.10 H new ATOM 0 HG11 VAL A 63 8.478 2.486 6.705 1.00 63.34 H new ATOM 0 HG12 VAL A 63 9.718 2.664 7.970 1.00 63.34 H new ATOM 0 HG13 VAL A 63 9.922 3.483 6.402 1.00 63.34 H new ATOM 0 HG21 VAL A 63 8.877 1.091 4.752 1.00 30.43 H new ATOM 0 HG22 VAL A 63 10.331 2.017 4.311 1.00 30.43 H new ATOM 0 HG23 VAL A 63 10.431 0.253 4.528 1.00 30.43 H new ATOM 1059 N ASP A 64 13.016 0.555 4.740 1.00 10.22 N ATOM 1060 CA ASP A 64 13.887 -0.381 4.035 1.00 43.35 C ATOM 1061 C ASP A 64 15.167 -0.620 4.828 1.00 61.21 C ATOM 1062 O ASP A 64 15.488 -1.753 5.199 1.00 40.35 O ATOM 1063 CB ASP A 64 14.214 0.182 2.642 1.00 11.03 C ATOM 1064 CG ASP A 64 15.533 -0.313 2.076 1.00 25.24 C ATOM 1065 OD1 ASP A 64 16.581 0.302 2.376 1.00 31.44 O ATOM 1066 OD2 ASP A 64 15.531 -1.300 1.314 1.00 15.14 O ATOM 0 H ASP A 64 12.797 1.397 4.207 1.00 10.22 H new ATOM 0 HA ASP A 64 13.375 -1.337 3.926 1.00 43.35 H new ATOM 0 HB2 ASP A 64 13.411 -0.085 1.955 1.00 11.03 H new ATOM 0 HB3 ASP A 64 14.238 1.270 2.697 1.00 11.03 H new ATOM 1071 N THR A 65 15.867 0.467 5.123 1.00 11.54 N ATOM 1072 CA THR A 65 17.148 0.404 5.809 1.00 14.31 C ATOM 1073 C THR A 65 16.968 0.035 7.286 1.00 3.32 C ATOM 1074 O THR A 65 17.926 -0.319 7.977 1.00 51.02 O ATOM 1075 CB THR A 65 17.883 1.750 5.664 1.00 21.32 C ATOM 1076 OG1 THR A 65 17.890 2.132 4.278 1.00 71.12 O ATOM 1077 CG2 THR A 65 19.317 1.663 6.169 1.00 35.43 C ATOM 0 H THR A 65 15.563 1.413 4.894 1.00 11.54 H new ATOM 0 HA THR A 65 17.751 -0.379 5.349 1.00 14.31 H new ATOM 0 HB THR A 65 17.359 2.493 6.265 1.00 21.32 H new ATOM 0 HG1 THR A 65 17.005 2.472 4.028 1.00 71.12 H new ATOM 0 HG21 THR A 65 19.804 2.631 6.051 1.00 35.43 H new ATOM 0 HG22 THR A 65 19.315 1.384 7.223 1.00 35.43 H new ATOM 0 HG23 THR A 65 19.860 0.912 5.596 1.00 35.43 H new ATOM 1085 N SER A 66 15.726 0.089 7.757 1.00 61.33 N ATOM 1086 CA SER A 66 15.403 -0.293 9.127 1.00 55.42 C ATOM 1087 C SER A 66 15.632 -1.797 9.337 1.00 10.11 C ATOM 1088 O SER A 66 15.623 -2.285 10.468 1.00 33.42 O ATOM 1089 CB SER A 66 13.950 0.088 9.443 1.00 23.10 C ATOM 1090 OG SER A 66 13.632 -0.119 10.808 1.00 4.13 O ATOM 0 H SER A 66 14.923 0.395 7.207 1.00 61.33 H new ATOM 0 HA SER A 66 16.062 0.244 9.810 1.00 55.42 H new ATOM 0 HB2 SER A 66 13.786 1.135 9.187 1.00 23.10 H new ATOM 0 HB3 SER A 66 13.277 -0.502 8.820 1.00 23.10 H new ATOM 0 HG SER A 66 14.165 -0.862 11.159 1.00 4.13 H new ATOM 1096 N GLY A 67 15.838 -2.527 8.245 1.00 2.12 N ATOM 1097 CA GLY A 67 16.171 -3.935 8.356 1.00 2.33 C ATOM 1098 C GLY A 67 15.177 -4.837 7.659 1.00 40.14 C ATOM 1099 O GLY A 67 15.288 -6.057 7.726 1.00 21.14 O ATOM 0 H GLY A 67 15.781 -2.171 7.291 1.00 2.12 H new ATOM 0 HA2 GLY A 67 17.162 -4.102 7.934 1.00 2.33 H new ATOM 0 HA3 GLY A 67 16.223 -4.208 9.410 1.00 2.33 H new ATOM 1103 N LYS A 68 14.202 -4.248 6.986 1.00 32.40 N ATOM 1104 CA LYS A 68 13.199 -5.035 6.287 1.00 70.40 C ATOM 1105 C LYS A 68 13.177 -4.682 4.805 1.00 14.50 C ATOM 1106 O LYS A 68 12.141 -4.320 4.243 1.00 1.14 O ATOM 1107 CB LYS A 68 11.820 -4.856 6.933 1.00 4.43 C ATOM 1108 CG LYS A 68 11.380 -3.408 7.086 1.00 74.44 C ATOM 1109 CD LYS A 68 10.957 -3.097 8.514 1.00 64.41 C ATOM 1110 CE LYS A 68 12.124 -3.226 9.481 1.00 45.04 C ATOM 1111 NZ LYS A 68 11.741 -2.863 10.872 1.00 34.41 N ATOM 0 H LYS A 68 14.084 -3.238 6.909 1.00 32.40 H new ATOM 0 HA LYS A 68 13.464 -6.089 6.371 1.00 70.40 H new ATOM 0 HB2 LYS A 68 11.080 -5.386 6.334 1.00 4.43 H new ATOM 0 HB3 LYS A 68 11.829 -5.326 7.917 1.00 4.43 H new ATOM 0 HG2 LYS A 68 12.197 -2.747 6.796 1.00 74.44 H new ATOM 0 HG3 LYS A 68 10.550 -3.206 6.408 1.00 74.44 H new ATOM 0 HD2 LYS A 68 10.553 -2.086 8.563 1.00 64.41 H new ATOM 0 HD3 LYS A 68 10.158 -3.775 8.814 1.00 64.41 H new ATOM 0 HE2 LYS A 68 12.497 -4.250 9.464 1.00 45.04 H new ATOM 0 HE3 LYS A 68 12.940 -2.584 9.151 1.00 45.04 H new ATOM 0 HZ1 LYS A 68 12.592 -2.602 11.410 1.00 34.41 H new ATOM 0 HZ2 LYS A 68 11.084 -2.057 10.852 1.00 34.41 H new ATOM 0 HZ3 LYS A 68 11.279 -3.675 11.328 1.00 34.41 H new ATOM 1125 N HIS A 69 14.342 -4.816 4.182 1.00 54.01 N ATOM 1126 CA HIS A 69 14.504 -4.528 2.754 1.00 64.05 C ATOM 1127 C HIS A 69 13.575 -5.405 1.925 1.00 35.54 C ATOM 1128 O HIS A 69 12.950 -4.944 0.969 1.00 13.32 O ATOM 1129 CB HIS A 69 15.948 -4.784 2.299 1.00 52.14 C ATOM 1130 CG HIS A 69 16.992 -3.986 3.018 1.00 72.41 C ATOM 1131 ND1 HIS A 69 17.386 -2.728 2.621 1.00 71.13 N ATOM 1132 CD2 HIS A 69 17.751 -4.288 4.098 1.00 51.34 C ATOM 1133 CE1 HIS A 69 18.341 -2.292 3.420 1.00 35.54 C ATOM 1134 NE2 HIS A 69 18.579 -3.219 4.326 1.00 51.33 N ATOM 0 H HIS A 69 15.197 -5.125 4.644 1.00 54.01 H new ATOM 0 HA HIS A 69 14.258 -3.477 2.604 1.00 64.05 H new ATOM 0 HB2 HIS A 69 16.170 -5.843 2.427 1.00 52.14 H new ATOM 0 HB3 HIS A 69 16.020 -4.570 1.233 1.00 52.14 H new ATOM 0 HD1 HIS A 69 16.999 -2.212 1.831 1.00 71.13 H new ATOM 0 HD2 HIS A 69 17.712 -5.201 4.673 1.00 51.34 H new ATOM 0 HE1 HIS A 69 18.842 -1.338 3.345 1.00 35.54 H new ATOM 1143 N ASP A 70 13.491 -6.674 2.307 1.00 24.34 N ATOM 1144 CA ASP A 70 12.671 -7.645 1.591 1.00 20.40 C ATOM 1145 C ASP A 70 11.212 -7.226 1.622 1.00 35.40 C ATOM 1146 O ASP A 70 10.517 -7.281 0.606 1.00 54.20 O ATOM 1147 CB ASP A 70 12.816 -9.037 2.213 1.00 31.50 C ATOM 1148 CG ASP A 70 14.261 -9.481 2.319 1.00 3.25 C ATOM 1149 OD1 ASP A 70 14.772 -10.098 1.362 1.00 31.24 O ATOM 1150 OD2 ASP A 70 14.892 -9.212 3.365 1.00 30.24 O ATOM 0 H ASP A 70 13.984 -7.057 3.114 1.00 24.34 H new ATOM 0 HA ASP A 70 13.014 -7.682 0.557 1.00 20.40 H new ATOM 0 HB2 ASP A 70 12.367 -9.036 3.206 1.00 31.50 H new ATOM 0 HB3 ASP A 70 12.261 -9.758 1.613 1.00 31.50 H new ATOM 1155 N VAL A 71 10.763 -6.799 2.794 1.00 2.51 N ATOM 1156 CA VAL A 71 9.395 -6.346 2.971 1.00 44.14 C ATOM 1157 C VAL A 71 9.138 -5.101 2.132 1.00 21.21 C ATOM 1158 O VAL A 71 8.139 -5.022 1.420 1.00 4.42 O ATOM 1159 CB VAL A 71 9.088 -6.036 4.453 1.00 52.53 C ATOM 1160 CG1 VAL A 71 7.626 -5.651 4.639 1.00 32.33 C ATOM 1161 CG2 VAL A 71 9.443 -7.224 5.334 1.00 45.52 C ATOM 0 H VAL A 71 11.332 -6.758 3.640 1.00 2.51 H new ATOM 0 HA VAL A 71 8.739 -7.152 2.644 1.00 44.14 H new ATOM 0 HB VAL A 71 9.702 -5.187 4.753 1.00 52.53 H new ATOM 0 HG11 VAL A 71 7.437 -5.438 5.691 1.00 32.33 H new ATOM 0 HG12 VAL A 71 7.404 -4.765 4.044 1.00 32.33 H new ATOM 0 HG13 VAL A 71 6.989 -6.474 4.315 1.00 32.33 H new ATOM 0 HG21 VAL A 71 9.219 -6.986 6.374 1.00 45.52 H new ATOM 0 HG22 VAL A 71 8.859 -8.092 5.027 1.00 45.52 H new ATOM 0 HG23 VAL A 71 10.505 -7.447 5.233 1.00 45.52 H new ATOM 1171 N ALA A 72 10.065 -4.148 2.201 1.00 73.43 N ATOM 1172 CA ALA A 72 9.949 -2.894 1.463 1.00 15.42 C ATOM 1173 C ALA A 72 9.773 -3.147 -0.032 1.00 71.04 C ATOM 1174 O ALA A 72 8.887 -2.574 -0.665 1.00 23.52 O ATOM 1175 CB ALA A 72 11.167 -2.019 1.716 1.00 23.02 C ATOM 0 H ALA A 72 10.911 -4.223 2.766 1.00 73.43 H new ATOM 0 HA ALA A 72 9.061 -2.372 1.820 1.00 15.42 H new ATOM 0 HB1 ALA A 72 11.067 -1.087 1.160 1.00 23.02 H new ATOM 0 HB2 ALA A 72 11.242 -1.799 2.781 1.00 23.02 H new ATOM 0 HB3 ALA A 72 12.065 -2.543 1.389 1.00 23.02 H new ATOM 1181 N GLN A 73 10.611 -4.020 -0.585 1.00 5.05 N ATOM 1182 CA GLN A 73 10.535 -4.370 -1.992 1.00 12.14 C ATOM 1183 C GLN A 73 9.193 -4.998 -2.330 1.00 14.44 C ATOM 1184 O GLN A 73 8.582 -4.680 -3.351 1.00 2.13 O ATOM 1185 CB GLN A 73 11.661 -5.326 -2.353 1.00 71.43 C ATOM 1186 CG GLN A 73 13.020 -4.662 -2.387 1.00 11.13 C ATOM 1187 CD GLN A 73 13.457 -4.342 -3.802 1.00 11.20 C ATOM 1188 OE1 GLN A 73 14.116 -5.141 -4.466 1.00 32.43 O ATOM 1189 NE2 GLN A 73 13.077 -3.165 -4.274 1.00 64.33 N ATOM 0 H GLN A 73 11.353 -4.498 -0.073 1.00 5.05 H new ATOM 0 HA GLN A 73 10.638 -3.454 -2.574 1.00 12.14 H new ATOM 0 HB2 GLN A 73 11.681 -6.142 -1.631 1.00 71.43 H new ATOM 0 HB3 GLN A 73 11.455 -5.768 -3.328 1.00 71.43 H new ATOM 0 HG2 GLN A 73 12.990 -3.744 -1.800 1.00 11.13 H new ATOM 0 HG3 GLN A 73 13.756 -5.316 -1.919 1.00 11.13 H new ATOM 0 HE21 GLN A 73 12.531 -2.533 -3.689 1.00 64.33 H new ATOM 0 HE22 GLN A 73 13.330 -2.890 -5.223 1.00 64.33 H new ATOM 1198 N ARG A 74 8.748 -5.903 -1.480 1.00 11.01 N ATOM 1199 CA ARG A 74 7.440 -6.523 -1.655 1.00 31.21 C ATOM 1200 C ARG A 74 6.324 -5.477 -1.624 1.00 54.11 C ATOM 1201 O ARG A 74 5.395 -5.541 -2.422 1.00 55.42 O ATOM 1202 CB ARG A 74 7.186 -7.596 -0.592 1.00 14.11 C ATOM 1203 CG ARG A 74 7.563 -9.004 -1.031 1.00 20.33 C ATOM 1204 CD ARG A 74 9.050 -9.138 -1.318 1.00 72.43 C ATOM 1205 NE ARG A 74 9.401 -10.477 -1.785 1.00 72.20 N ATOM 1206 CZ ARG A 74 10.583 -11.054 -1.575 1.00 33.24 C ATOM 1207 NH1 ARG A 74 11.523 -10.425 -0.877 1.00 22.32 N ATOM 1208 NH2 ARG A 74 10.820 -12.265 -2.057 1.00 22.30 N ATOM 0 H ARG A 74 9.267 -6.227 -0.664 1.00 11.01 H new ATOM 0 HA ARG A 74 7.438 -7.002 -2.634 1.00 31.21 H new ATOM 0 HB2 ARG A 74 7.749 -7.343 0.306 1.00 14.11 H new ATOM 0 HB3 ARG A 74 6.130 -7.581 -0.321 1.00 14.11 H new ATOM 0 HG2 ARG A 74 7.280 -9.713 -0.253 1.00 20.33 H new ATOM 0 HG3 ARG A 74 6.997 -9.268 -1.924 1.00 20.33 H new ATOM 0 HD2 ARG A 74 9.341 -8.404 -2.070 1.00 72.43 H new ATOM 0 HD3 ARG A 74 9.615 -8.910 -0.414 1.00 72.43 H new ATOM 0 HE ARG A 74 8.697 -11.002 -2.304 1.00 72.20 H new ATOM 0 HH11 ARG A 74 11.341 -9.495 -0.499 1.00 22.32 H new ATOM 0 HH12 ARG A 74 12.426 -10.872 -0.719 1.00 22.32 H new ATOM 0 HH21 ARG A 74 10.098 -12.753 -2.587 1.00 22.30 H new ATOM 0 HH22 ARG A 74 11.724 -12.709 -1.898 1.00 22.30 H new ATOM 1222 N LEU A 75 6.433 -4.508 -0.716 1.00 4.24 N ATOM 1223 CA LEU A 75 5.418 -3.462 -0.576 1.00 72.32 C ATOM 1224 C LEU A 75 5.275 -2.639 -1.856 1.00 45.44 C ATOM 1225 O LEU A 75 4.171 -2.225 -2.211 1.00 31.33 O ATOM 1226 CB LEU A 75 5.752 -2.537 0.599 1.00 71.24 C ATOM 1227 CG LEU A 75 5.738 -3.201 1.978 1.00 14.24 C ATOM 1228 CD1 LEU A 75 6.091 -2.196 3.060 1.00 43.04 C ATOM 1229 CD2 LEU A 75 4.379 -3.823 2.257 1.00 20.31 C ATOM 0 H LEU A 75 7.214 -4.425 -0.065 1.00 4.24 H new ATOM 0 HA LEU A 75 4.467 -3.959 -0.383 1.00 72.32 H new ATOM 0 HB2 LEU A 75 6.739 -2.106 0.431 1.00 71.24 H new ATOM 0 HB3 LEU A 75 5.040 -1.712 0.604 1.00 71.24 H new ATOM 0 HG LEU A 75 6.489 -3.991 1.984 1.00 14.24 H new ATOM 0 HD11 LEU A 75 6.075 -2.688 4.033 1.00 43.04 H new ATOM 0 HD12 LEU A 75 7.087 -1.794 2.872 1.00 43.04 H new ATOM 0 HD13 LEU A 75 5.365 -1.383 3.053 1.00 43.04 H new ATOM 0 HD21 LEU A 75 4.388 -4.290 3.242 1.00 20.31 H new ATOM 0 HD22 LEU A 75 3.612 -3.049 2.230 1.00 20.31 H new ATOM 0 HD23 LEU A 75 4.161 -4.576 1.500 1.00 20.31 H new ATOM 1241 N GLN A 76 6.396 -2.403 -2.539 1.00 35.13 N ATOM 1242 CA GLN A 76 6.384 -1.693 -3.823 1.00 34.30 C ATOM 1243 C GLN A 76 5.455 -2.406 -4.796 1.00 13.42 C ATOM 1244 O GLN A 76 4.571 -1.804 -5.402 1.00 24.21 O ATOM 1245 CB GLN A 76 7.788 -1.656 -4.437 1.00 12.43 C ATOM 1246 CG GLN A 76 8.888 -1.283 -3.463 1.00 4.40 C ATOM 1247 CD GLN A 76 9.202 0.200 -3.459 1.00 14.43 C ATOM 1248 OE1 GLN A 76 8.328 1.033 -3.680 1.00 53.44 O ATOM 1249 NE2 GLN A 76 10.459 0.539 -3.226 1.00 11.23 N ATOM 0 H GLN A 76 7.323 -2.692 -2.227 1.00 35.13 H new ATOM 0 HA GLN A 76 6.040 -0.675 -3.642 1.00 34.30 H new ATOM 0 HB2 GLN A 76 8.012 -2.635 -4.861 1.00 12.43 H new ATOM 0 HB3 GLN A 76 7.792 -0.943 -5.261 1.00 12.43 H new ATOM 0 HG2 GLN A 76 8.595 -1.589 -2.459 1.00 4.40 H new ATOM 0 HG3 GLN A 76 9.791 -1.839 -3.714 1.00 4.40 H new ATOM 0 HE21 GLN A 76 11.157 -0.183 -3.046 1.00 11.23 H new ATOM 0 HE22 GLN A 76 10.730 1.522 -3.226 1.00 11.23 H new ATOM 1258 N GLN A 77 5.663 -3.710 -4.909 1.00 42.41 N ATOM 1259 CA GLN A 77 4.893 -4.558 -5.815 1.00 33.11 C ATOM 1260 C GLN A 77 3.413 -4.605 -5.427 1.00 63.40 C ATOM 1261 O GLN A 77 2.557 -4.938 -6.250 1.00 5.53 O ATOM 1262 CB GLN A 77 5.483 -5.968 -5.821 1.00 12.10 C ATOM 1263 CG GLN A 77 6.895 -6.026 -6.381 1.00 14.42 C ATOM 1264 CD GLN A 77 7.559 -7.365 -6.149 1.00 42.15 C ATOM 1265 OE1 GLN A 77 7.429 -8.284 -6.955 1.00 61.30 O ATOM 1266 NE2 GLN A 77 8.292 -7.480 -5.053 1.00 34.15 N ATOM 0 H GLN A 77 6.371 -4.213 -4.375 1.00 42.41 H new ATOM 0 HA GLN A 77 4.955 -4.130 -6.815 1.00 33.11 H new ATOM 0 HB2 GLN A 77 5.487 -6.357 -4.803 1.00 12.10 H new ATOM 0 HB3 GLN A 77 4.839 -6.621 -6.409 1.00 12.10 H new ATOM 0 HG2 GLN A 77 6.866 -5.820 -7.451 1.00 14.42 H new ATOM 0 HG3 GLN A 77 7.497 -5.242 -5.921 1.00 14.42 H new ATOM 0 HE21 GLN A 77 8.374 -6.693 -4.409 1.00 34.15 H new ATOM 0 HE22 GLN A 77 8.775 -8.356 -4.852 1.00 34.15 H new ATOM 1275 N ARG A 78 3.114 -4.275 -4.177 1.00 23.02 N ATOM 1276 CA ARG A 78 1.735 -4.270 -3.698 1.00 2.51 C ATOM 1277 C ARG A 78 0.955 -3.096 -4.280 1.00 12.20 C ATOM 1278 O ARG A 78 -0.094 -3.287 -4.894 1.00 12.31 O ATOM 1279 CB ARG A 78 1.681 -4.210 -2.167 1.00 5.31 C ATOM 1280 CG ARG A 78 1.540 -5.566 -1.484 1.00 73.12 C ATOM 1281 CD ARG A 78 2.648 -6.526 -1.876 1.00 63.11 C ATOM 1282 NE ARG A 78 2.671 -7.713 -1.024 1.00 50.34 N ATOM 1283 CZ ARG A 78 2.942 -8.942 -1.461 1.00 34.35 C ATOM 1284 NH1 ARG A 78 3.144 -9.166 -2.754 1.00 42.23 N ATOM 1285 NH2 ARG A 78 2.990 -9.954 -0.606 1.00 13.40 N ATOM 0 H ARG A 78 3.806 -4.008 -3.477 1.00 23.02 H new ATOM 0 HA ARG A 78 1.275 -5.200 -4.032 1.00 2.51 H new ATOM 0 HB2 ARG A 78 2.588 -3.727 -1.803 1.00 5.31 H new ATOM 0 HB3 ARG A 78 0.843 -3.579 -1.870 1.00 5.31 H new ATOM 0 HG2 ARG A 78 1.547 -5.428 -0.403 1.00 73.12 H new ATOM 0 HG3 ARG A 78 0.575 -6.002 -1.743 1.00 73.12 H new ATOM 0 HD2 ARG A 78 2.515 -6.828 -2.915 1.00 63.11 H new ATOM 0 HD3 ARG A 78 3.609 -6.016 -1.813 1.00 63.11 H new ATOM 0 HE ARG A 78 2.467 -7.593 -0.032 1.00 50.34 H new ATOM 0 HH11 ARG A 78 3.092 -8.395 -3.419 1.00 42.23 H new ATOM 0 HH12 ARG A 78 3.351 -10.109 -3.082 1.00 42.23 H new ATOM 0 HH21 ARG A 78 2.819 -9.792 0.386 1.00 13.40 H new ATOM 0 HH22 ARG A 78 3.197 -10.895 -0.941 1.00 13.40 H new ATOM 1299 N VAL A 79 1.488 -1.887 -4.114 1.00 35.01 N ATOM 1300 CA VAL A 79 0.771 -0.678 -4.514 1.00 22.22 C ATOM 1301 C VAL A 79 0.573 -0.609 -6.026 1.00 34.25 C ATOM 1302 O VAL A 79 -0.457 -0.124 -6.498 1.00 22.31 O ATOM 1303 CB VAL A 79 1.469 0.611 -4.016 1.00 4.23 C ATOM 1304 CG1 VAL A 79 1.475 0.663 -2.496 1.00 23.03 C ATOM 1305 CG2 VAL A 79 2.886 0.720 -4.555 1.00 71.52 C ATOM 0 H VAL A 79 2.408 -1.719 -3.708 1.00 35.01 H new ATOM 0 HA VAL A 79 -0.208 -0.739 -4.038 1.00 22.22 H new ATOM 0 HB VAL A 79 0.901 1.461 -4.394 1.00 4.23 H new ATOM 0 HG11 VAL A 79 1.970 1.576 -2.165 1.00 23.03 H new ATOM 0 HG12 VAL A 79 0.449 0.652 -2.128 1.00 23.03 H new ATOM 0 HG13 VAL A 79 2.010 -0.202 -2.104 1.00 23.03 H new ATOM 0 HG21 VAL A 79 3.346 1.636 -4.186 1.00 71.52 H new ATOM 0 HG22 VAL A 79 3.469 -0.139 -4.222 1.00 71.52 H new ATOM 0 HG23 VAL A 79 2.860 0.741 -5.645 1.00 71.52 H new ATOM 1315 N THR A 80 1.549 -1.107 -6.779 1.00 21.13 N ATOM 1316 CA THR A 80 1.448 -1.139 -8.231 1.00 10.11 C ATOM 1317 C THR A 80 0.303 -2.055 -8.668 1.00 31.05 C ATOM 1318 O THR A 80 -0.455 -1.730 -9.585 1.00 32.51 O ATOM 1319 CB THR A 80 2.768 -1.615 -8.870 1.00 50.03 C ATOM 1320 OG1 THR A 80 3.871 -0.886 -8.312 1.00 54.41 O ATOM 1321 CG2 THR A 80 2.743 -1.419 -10.381 1.00 35.43 C ATOM 0 H THR A 80 2.417 -1.493 -6.407 1.00 21.13 H new ATOM 0 HA THR A 80 1.245 -0.124 -8.572 1.00 10.11 H new ATOM 0 HB THR A 80 2.885 -2.678 -8.658 1.00 50.03 H new ATOM 0 HG1 THR A 80 4.101 -1.261 -7.436 1.00 54.41 H new ATOM 0 HG21 THR A 80 3.685 -1.762 -10.808 1.00 35.43 H new ATOM 0 HG22 THR A 80 1.920 -1.992 -10.809 1.00 35.43 H new ATOM 0 HG23 THR A 80 2.605 -0.362 -10.609 1.00 35.43 H new ATOM 1329 N ALA A 81 0.159 -3.185 -7.982 1.00 50.44 N ATOM 1330 CA ALA A 81 -0.894 -4.142 -8.294 1.00 52.01 C ATOM 1331 C ALA A 81 -2.268 -3.570 -7.955 1.00 13.31 C ATOM 1332 O ALA A 81 -3.240 -3.790 -8.680 1.00 13.13 O ATOM 1333 CB ALA A 81 -0.657 -5.446 -7.548 1.00 23.13 C ATOM 0 H ALA A 81 0.760 -3.459 -7.205 1.00 50.44 H new ATOM 0 HA ALA A 81 -0.869 -4.343 -9.365 1.00 52.01 H new ATOM 0 HB1 ALA A 81 -1.451 -6.153 -7.790 1.00 23.13 H new ATOM 0 HB2 ALA A 81 0.305 -5.865 -7.844 1.00 23.13 H new ATOM 0 HB3 ALA A 81 -0.655 -5.256 -6.475 1.00 23.13 H new ATOM 1339 N ILE A 82 -2.338 -2.834 -6.851 1.00 22.21 N ATOM 1340 CA ILE A 82 -3.577 -2.190 -6.432 1.00 23.34 C ATOM 1341 C ILE A 82 -3.991 -1.140 -7.454 1.00 42.31 C ATOM 1342 O ILE A 82 -5.120 -1.143 -7.949 1.00 13.42 O ATOM 1343 CB ILE A 82 -3.425 -1.505 -5.055 1.00 33.14 C ATOM 1344 CG1 ILE A 82 -2.893 -2.496 -4.017 1.00 40.41 C ATOM 1345 CG2 ILE A 82 -4.760 -0.927 -4.602 1.00 71.45 C ATOM 1346 CD1 ILE A 82 -2.501 -1.855 -2.702 1.00 43.53 C ATOM 0 H ILE A 82 -1.547 -2.668 -6.228 1.00 22.21 H new ATOM 0 HA ILE A 82 -4.338 -2.967 -6.356 1.00 23.34 H new ATOM 0 HB ILE A 82 -2.707 -0.690 -5.152 1.00 33.14 H new ATOM 0 HG12 ILE A 82 -3.654 -3.253 -3.828 1.00 40.41 H new ATOM 0 HG13 ILE A 82 -2.027 -3.011 -4.431 1.00 40.41 H new ATOM 0 HG21 ILE A 82 -4.638 -0.448 -3.631 1.00 71.45 H new ATOM 0 HG22 ILE A 82 -5.104 -0.191 -5.329 1.00 71.45 H new ATOM 0 HG23 ILE A 82 -5.495 -1.728 -4.522 1.00 71.45 H new ATOM 0 HD11 ILE A 82 -2.134 -2.621 -2.019 1.00 43.53 H new ATOM 0 HD12 ILE A 82 -1.717 -1.118 -2.876 1.00 43.53 H new ATOM 0 HD13 ILE A 82 -3.370 -1.364 -2.263 1.00 43.53 H new ATOM 1358 N MET A 83 -3.053 -0.261 -7.775 1.00 32.24 N ATOM 1359 CA MET A 83 -3.294 0.831 -8.707 1.00 62.54 C ATOM 1360 C MET A 83 -3.710 0.318 -10.081 1.00 4.50 C ATOM 1361 O MET A 83 -4.603 0.877 -10.714 1.00 52.41 O ATOM 1362 CB MET A 83 -2.038 1.703 -8.825 1.00 70.22 C ATOM 1363 CG MET A 83 -2.076 2.678 -9.987 1.00 63.45 C ATOM 1364 SD MET A 83 -0.782 3.927 -9.893 1.00 71.41 S ATOM 1365 CE MET A 83 -1.324 4.836 -8.449 1.00 24.54 C ATOM 0 H MET A 83 -2.106 -0.284 -7.398 1.00 32.24 H new ATOM 0 HA MET A 83 -4.117 1.430 -8.316 1.00 62.54 H new ATOM 0 HB2 MET A 83 -1.907 2.262 -7.898 1.00 70.22 H new ATOM 0 HB3 MET A 83 -1.167 1.057 -8.934 1.00 70.22 H new ATOM 0 HG2 MET A 83 -1.975 2.126 -10.922 1.00 63.45 H new ATOM 0 HG3 MET A 83 -3.048 3.170 -10.011 1.00 63.45 H new ATOM 0 HE1 MET A 83 -0.648 5.672 -8.271 1.00 24.54 H new ATOM 0 HE2 MET A 83 -2.333 5.214 -8.614 1.00 24.54 H new ATOM 0 HE3 MET A 83 -1.321 4.176 -7.581 1.00 24.54 H new ATOM 1375 N ARG A 84 -3.080 -0.757 -10.531 1.00 61.40 N ATOM 1376 CA ARG A 84 -3.331 -1.272 -11.870 1.00 42.00 C ATOM 1377 C ARG A 84 -4.761 -1.799 -12.008 1.00 14.53 C ATOM 1378 O ARG A 84 -5.339 -1.767 -13.098 1.00 32.03 O ATOM 1379 CB ARG A 84 -2.324 -2.367 -12.223 1.00 3.33 C ATOM 1380 CG ARG A 84 -2.207 -2.606 -13.718 1.00 44.13 C ATOM 1381 CD ARG A 84 -1.761 -1.340 -14.434 1.00 5.50 C ATOM 1382 NE ARG A 84 -1.795 -1.478 -15.887 1.00 54.10 N ATOM 1383 CZ ARG A 84 -1.931 -0.451 -16.725 1.00 3.23 C ATOM 1384 NH1 ARG A 84 -2.015 0.788 -16.255 1.00 33.41 N ATOM 1385 NH2 ARG A 84 -1.974 -0.657 -18.032 1.00 2.35 N ATOM 0 H ARG A 84 -2.395 -1.287 -9.993 1.00 61.40 H new ATOM 0 HA ARG A 84 -3.210 -0.445 -12.570 1.00 42.00 H new ATOM 0 HB2 ARG A 84 -1.346 -2.095 -11.827 1.00 3.33 H new ATOM 0 HB3 ARG A 84 -2.619 -3.296 -11.734 1.00 3.33 H new ATOM 0 HG2 ARG A 84 -1.493 -3.407 -13.908 1.00 44.13 H new ATOM 0 HG3 ARG A 84 -3.168 -2.934 -14.115 1.00 44.13 H new ATOM 0 HD2 ARG A 84 -2.404 -0.512 -14.136 1.00 5.50 H new ATOM 0 HD3 ARG A 84 -0.749 -1.086 -14.120 1.00 5.50 H new ATOM 0 HE ARG A 84 -1.710 -2.414 -16.283 1.00 54.10 H new ATOM 0 HH11 ARG A 84 -1.975 0.956 -15.250 1.00 33.41 H new ATOM 0 HH12 ARG A 84 -2.119 1.572 -16.899 1.00 33.41 H new ATOM 0 HH21 ARG A 84 -1.903 -1.605 -18.401 1.00 2.35 H new ATOM 0 HH22 ARG A 84 -2.078 0.132 -18.670 1.00 2.35 H new ATOM 1399 N TYR A 85 -5.335 -2.275 -10.908 1.00 32.45 N ATOM 1400 CA TYR A 85 -6.709 -2.757 -10.920 1.00 15.55 C ATOM 1401 C TYR A 85 -7.675 -1.572 -10.975 1.00 61.43 C ATOM 1402 O TYR A 85 -8.715 -1.631 -11.631 1.00 22.31 O ATOM 1403 CB TYR A 85 -6.977 -3.611 -9.675 1.00 64.41 C ATOM 1404 CG TYR A 85 -8.200 -4.497 -9.780 1.00 24.11 C ATOM 1405 CD1 TYR A 85 -8.181 -5.635 -10.575 1.00 61.42 C ATOM 1406 CD2 TYR A 85 -9.365 -4.202 -9.082 1.00 20.44 C ATOM 1407 CE1 TYR A 85 -9.287 -6.456 -10.674 1.00 33.05 C ATOM 1408 CE2 TYR A 85 -10.478 -5.020 -9.174 1.00 42.30 C ATOM 1409 CZ TYR A 85 -10.432 -6.145 -9.972 1.00 12.42 C ATOM 1410 OH TYR A 85 -11.536 -6.964 -10.069 1.00 52.44 O ATOM 0 H TYR A 85 -4.872 -2.337 -10.001 1.00 32.45 H new ATOM 0 HA TYR A 85 -6.864 -3.375 -11.804 1.00 15.55 H new ATOM 0 HB2 TYR A 85 -6.105 -4.236 -9.483 1.00 64.41 H new ATOM 0 HB3 TYR A 85 -7.093 -2.952 -8.814 1.00 64.41 H new ATOM 0 HD1 TYR A 85 -7.286 -5.883 -11.126 1.00 61.42 H new ATOM 0 HD2 TYR A 85 -9.403 -3.321 -8.458 1.00 20.44 H new ATOM 0 HE1 TYR A 85 -9.255 -7.337 -11.298 1.00 33.05 H new ATOM 0 HE2 TYR A 85 -11.376 -4.779 -8.625 1.00 42.30 H new ATOM 0 HH TYR A 85 -12.259 -6.606 -9.512 1.00 52.44 H new ATOM 1420 N ALA A 86 -7.291 -0.480 -10.316 1.00 60.34 N ATOM 1421 CA ALA A 86 -8.120 0.719 -10.248 1.00 61.33 C ATOM 1422 C ALA A 86 -8.226 1.413 -11.606 1.00 20.21 C ATOM 1423 O ALA A 86 -9.118 2.238 -11.822 1.00 11.22 O ATOM 1424 CB ALA A 86 -7.567 1.679 -9.208 1.00 72.13 C ATOM 0 H ALA A 86 -6.404 -0.403 -9.819 1.00 60.34 H new ATOM 0 HA ALA A 86 -9.124 0.412 -9.956 1.00 61.33 H new ATOM 0 HB1 ALA A 86 -8.193 2.570 -9.166 1.00 72.13 H new ATOM 0 HB2 ALA A 86 -7.560 1.194 -8.232 1.00 72.13 H new ATOM 0 HB3 ALA A 86 -6.550 1.963 -9.479 1.00 72.13 H new ATOM 1430 N VAL A 87 -7.308 1.085 -12.516 1.00 22.52 N ATOM 1431 CA VAL A 87 -7.358 1.606 -13.880 1.00 52.25 C ATOM 1432 C VAL A 87 -8.670 1.211 -14.546 1.00 70.14 C ATOM 1433 O VAL A 87 -9.328 2.033 -15.188 1.00 62.32 O ATOM 1434 CB VAL A 87 -6.189 1.078 -14.743 1.00 32.11 C ATOM 1435 CG1 VAL A 87 -6.239 1.669 -16.145 1.00 21.40 C ATOM 1436 CG2 VAL A 87 -4.855 1.379 -14.084 1.00 21.13 C ATOM 0 H VAL A 87 -6.522 0.461 -12.332 1.00 22.52 H new ATOM 0 HA VAL A 87 -7.278 2.691 -13.810 1.00 52.25 H new ATOM 0 HB VAL A 87 -6.294 -0.004 -14.826 1.00 32.11 H new ATOM 0 HG11 VAL A 87 -5.406 1.282 -16.733 1.00 21.40 H new ATOM 0 HG12 VAL A 87 -7.179 1.393 -16.623 1.00 21.40 H new ATOM 0 HG13 VAL A 87 -6.167 2.755 -16.085 1.00 21.40 H new ATOM 0 HG21 VAL A 87 -4.047 0.999 -14.708 1.00 21.13 H new ATOM 0 HG22 VAL A 87 -4.744 2.457 -13.963 1.00 21.13 H new ATOM 0 HG23 VAL A 87 -4.815 0.898 -13.107 1.00 21.13 H new ATOM 1446 N GLN A 88 -9.053 -0.048 -14.364 1.00 60.41 N ATOM 1447 CA GLN A 88 -10.264 -0.585 -14.966 1.00 53.22 C ATOM 1448 C GLN A 88 -11.498 0.002 -14.285 1.00 1.34 C ATOM 1449 O GLN A 88 -12.579 0.071 -14.868 1.00 50.43 O ATOM 1450 CB GLN A 88 -10.268 -2.114 -14.844 1.00 11.23 C ATOM 1451 CG GLN A 88 -11.431 -2.791 -15.547 1.00 10.14 C ATOM 1452 CD GLN A 88 -11.420 -4.296 -15.360 1.00 62.32 C ATOM 1453 OE1 GLN A 88 -10.954 -4.805 -14.339 1.00 2.31 O ATOM 1454 NE2 GLN A 88 -11.937 -5.018 -16.339 1.00 11.24 N ATOM 0 H GLN A 88 -8.535 -0.720 -13.798 1.00 60.41 H new ATOM 0 HA GLN A 88 -10.288 -0.312 -16.021 1.00 53.22 H new ATOM 0 HB2 GLN A 88 -9.335 -2.502 -15.253 1.00 11.23 H new ATOM 0 HB3 GLN A 88 -10.290 -2.383 -13.788 1.00 11.23 H new ATOM 0 HG2 GLN A 88 -12.368 -2.387 -15.165 1.00 10.14 H new ATOM 0 HG3 GLN A 88 -11.394 -2.559 -16.611 1.00 10.14 H new ATOM 0 HE21 GLN A 88 -12.313 -4.558 -17.168 1.00 11.24 H new ATOM 0 HE22 GLN A 88 -11.960 -6.035 -16.265 1.00 11.24 H new ATOM 1463 N ASN A 89 -11.312 0.446 -13.051 1.00 44.41 N ATOM 1464 CA ASN A 89 -12.401 0.984 -12.252 1.00 20.13 C ATOM 1465 C ASN A 89 -12.587 2.482 -12.500 1.00 25.03 C ATOM 1466 O ASN A 89 -13.353 3.137 -11.796 1.00 73.24 O ATOM 1467 CB ASN A 89 -12.140 0.722 -10.768 1.00 63.24 C ATOM 1468 CG ASN A 89 -12.104 -0.757 -10.425 1.00 23.33 C ATOM 1469 OD1 ASN A 89 -11.325 -1.187 -9.577 1.00 62.52 O ATOM 1470 ND2 ASN A 89 -12.962 -1.546 -11.059 1.00 3.00 N ATOM 0 H ASN A 89 -10.408 0.444 -12.578 1.00 44.41 H new ATOM 0 HA ASN A 89 -13.320 0.480 -12.550 1.00 20.13 H new ATOM 0 HB2 ASN A 89 -11.191 1.178 -10.485 1.00 63.24 H new ATOM 0 HB3 ASN A 89 -12.916 1.208 -10.177 1.00 63.24 H new ATOM 0 HD21 ASN A 89 -12.989 -2.544 -10.848 1.00 3.00 H new ATOM 0 HD22 ASN A 89 -13.594 -1.155 -11.757 1.00 3.00 H new ATOM 1477 N ASP A 90 -11.852 3.015 -13.482 1.00 55.23 N ATOM 1478 CA ASP A 90 -12.028 4.403 -13.953 1.00 71.43 C ATOM 1479 C ASP A 90 -11.535 5.437 -12.925 1.00 31.13 C ATOM 1480 O ASP A 90 -11.624 6.643 -13.150 1.00 70.43 O ATOM 1481 CB ASP A 90 -13.506 4.651 -14.316 1.00 43.40 C ATOM 1482 CG ASP A 90 -13.789 6.058 -14.821 1.00 32.31 C ATOM 1483 OD1 ASP A 90 -13.399 6.378 -15.965 1.00 31.24 O ATOM 1484 OD2 ASP A 90 -14.421 6.844 -14.082 1.00 20.33 O ATOM 0 H ASP A 90 -11.120 2.503 -13.974 1.00 55.23 H new ATOM 0 HA ASP A 90 -11.413 4.531 -14.844 1.00 71.43 H new ATOM 0 HB2 ASP A 90 -13.808 3.934 -15.080 1.00 43.40 H new ATOM 0 HB3 ASP A 90 -14.123 4.460 -13.438 1.00 43.40 H new ATOM 1489 N TYR A 91 -10.975 4.972 -11.815 1.00 25.42 N ATOM 1490 CA TYR A 91 -10.534 5.879 -10.756 1.00 44.14 C ATOM 1491 C TYR A 91 -9.364 6.755 -11.206 1.00 62.50 C ATOM 1492 O TYR A 91 -9.419 7.979 -11.105 1.00 72.51 O ATOM 1493 CB TYR A 91 -10.142 5.101 -9.495 1.00 65.13 C ATOM 1494 CG TYR A 91 -11.322 4.577 -8.702 1.00 33.02 C ATOM 1495 CD1 TYR A 91 -12.219 5.450 -8.098 1.00 13.13 C ATOM 1496 CD2 TYR A 91 -11.538 3.215 -8.552 1.00 55.23 C ATOM 1497 CE1 TYR A 91 -13.295 4.978 -7.370 1.00 22.40 C ATOM 1498 CE2 TYR A 91 -12.613 2.736 -7.825 1.00 61.04 C ATOM 1499 CZ TYR A 91 -13.487 3.622 -7.235 1.00 24.54 C ATOM 1500 OH TYR A 91 -14.558 3.149 -6.510 1.00 4.12 O ATOM 0 H TYR A 91 -10.815 3.983 -11.623 1.00 25.42 H new ATOM 0 HA TYR A 91 -11.378 6.530 -10.527 1.00 44.14 H new ATOM 0 HB2 TYR A 91 -9.508 4.262 -9.781 1.00 65.13 H new ATOM 0 HB3 TYR A 91 -9.544 5.748 -8.853 1.00 65.13 H new ATOM 0 HD1 TYR A 91 -12.073 6.515 -8.199 1.00 13.13 H new ATOM 0 HD2 TYR A 91 -10.855 2.516 -9.011 1.00 55.23 H new ATOM 0 HE1 TYR A 91 -13.983 5.671 -6.909 1.00 22.40 H new ATOM 0 HE2 TYR A 91 -12.766 1.672 -7.721 1.00 61.04 H new ATOM 0 HH TYR A 91 -14.549 2.169 -6.514 1.00 4.12 H new ATOM 1510 N ILE A 92 -8.317 6.133 -11.713 1.00 41.32 N ATOM 1511 CA ILE A 92 -7.103 6.867 -12.041 1.00 42.04 C ATOM 1512 C ILE A 92 -6.976 7.120 -13.537 1.00 11.13 C ATOM 1513 O ILE A 92 -7.616 6.454 -14.351 1.00 52.54 O ATOM 1514 CB ILE A 92 -5.849 6.121 -11.555 1.00 71.22 C ATOM 1515 CG1 ILE A 92 -5.802 4.721 -12.163 1.00 53.52 C ATOM 1516 CG2 ILE A 92 -5.830 6.051 -10.037 1.00 12.12 C ATOM 1517 CD1 ILE A 92 -4.586 3.932 -11.751 1.00 65.32 C ATOM 0 H ILE A 92 -8.278 5.132 -11.906 1.00 41.32 H new ATOM 0 HA ILE A 92 -7.179 7.825 -11.527 1.00 42.04 H new ATOM 0 HB ILE A 92 -4.965 6.668 -11.881 1.00 71.22 H new ATOM 0 HG12 ILE A 92 -6.698 4.174 -11.869 1.00 53.52 H new ATOM 0 HG13 ILE A 92 -5.822 4.804 -13.250 1.00 53.52 H new ATOM 0 HG21 ILE A 92 -4.937 5.520 -9.708 1.00 12.12 H new ATOM 0 HG22 ILE A 92 -5.824 7.061 -9.626 1.00 12.12 H new ATOM 0 HG23 ILE A 92 -6.716 5.522 -9.686 1.00 12.12 H new ATOM 0 HD11 ILE A 92 -4.616 2.948 -12.218 1.00 65.32 H new ATOM 0 HD12 ILE A 92 -3.686 4.458 -12.069 1.00 65.32 H new ATOM 0 HD13 ILE A 92 -4.576 3.819 -10.667 1.00 65.32 H new ATOM 1529 N ASP A 93 -6.144 8.094 -13.884 1.00 2.31 N ATOM 1530 CA ASP A 93 -5.879 8.422 -15.279 1.00 73.14 C ATOM 1531 C ASP A 93 -4.438 8.069 -15.645 1.00 53.11 C ATOM 1532 O ASP A 93 -4.146 7.702 -16.781 1.00 21.11 O ATOM 1533 CB ASP A 93 -6.151 9.908 -15.539 1.00 61.11 C ATOM 1534 CG ASP A 93 -5.798 10.329 -16.951 1.00 40.53 C ATOM 1535 OD1 ASP A 93 -6.511 9.935 -17.896 1.00 23.31 O ATOM 1536 OD2 ASP A 93 -4.812 11.075 -17.124 1.00 45.13 O ATOM 0 H ASP A 93 -5.638 8.674 -13.214 1.00 2.31 H new ATOM 0 HA ASP A 93 -6.548 7.834 -15.907 1.00 73.14 H new ATOM 0 HB2 ASP A 93 -7.205 10.118 -15.354 1.00 61.11 H new ATOM 0 HB3 ASP A 93 -5.578 10.507 -14.832 1.00 61.11 H new ATOM 1541 N SER A 94 -3.543 8.167 -14.673 1.00 62.31 N ATOM 1542 CA SER A 94 -2.143 7.836 -14.890 1.00 63.33 C ATOM 1543 C SER A 94 -1.652 6.891 -13.796 1.00 62.11 C ATOM 1544 O SER A 94 -2.236 6.832 -12.713 1.00 61.14 O ATOM 1545 CB SER A 94 -1.293 9.112 -14.923 1.00 63.34 C ATOM 1546 OG SER A 94 0.045 8.827 -15.305 1.00 32.41 O ATOM 0 H SER A 94 -3.762 8.474 -13.725 1.00 62.31 H new ATOM 0 HA SER A 94 -2.044 7.334 -15.852 1.00 63.33 H new ATOM 0 HB2 SER A 94 -1.730 9.825 -15.622 1.00 63.34 H new ATOM 0 HB3 SER A 94 -1.301 9.583 -13.940 1.00 63.34 H new ATOM 0 HG SER A 94 0.565 9.658 -15.320 1.00 32.41 H new ATOM 1552 N ASN A 95 -0.594 6.140 -14.092 1.00 31.03 N ATOM 1553 CA ASN A 95 -0.028 5.173 -13.145 1.00 74.23 C ATOM 1554 C ASN A 95 1.366 5.607 -12.688 1.00 31.43 C ATOM 1555 O ASN A 95 2.366 5.239 -13.304 1.00 11.53 O ATOM 1556 CB ASN A 95 0.061 3.766 -13.758 1.00 3.05 C ATOM 1557 CG ASN A 95 -1.279 3.048 -13.866 1.00 61.31 C ATOM 1558 OD1 ASN A 95 -1.354 1.828 -13.718 1.00 70.44 O ATOM 1559 ND2 ASN A 95 -2.341 3.783 -14.140 1.00 24.34 N ATOM 0 H ASN A 95 -0.106 6.181 -14.987 1.00 31.03 H new ATOM 0 HA ASN A 95 -0.699 5.141 -12.287 1.00 74.23 H new ATOM 0 HB2 ASN A 95 0.502 3.842 -14.752 1.00 3.05 H new ATOM 0 HB3 ASN A 95 0.738 3.161 -13.155 1.00 3.05 H new ATOM 0 HD21 ASN A 95 -3.256 3.342 -14.235 1.00 24.34 H new ATOM 0 HD22 ASN A 95 -2.247 4.792 -14.257 1.00 24.34 H new ATOM 1566 N PRO A 96 1.454 6.433 -11.628 1.00 34.52 N ATOM 1567 CA PRO A 96 2.740 6.889 -11.082 1.00 42.54 C ATOM 1568 C PRO A 96 3.532 5.756 -10.421 1.00 2.44 C ATOM 1569 O PRO A 96 4.738 5.873 -10.198 1.00 23.44 O ATOM 1570 CB PRO A 96 2.347 7.938 -10.031 1.00 52.51 C ATOM 1571 CG PRO A 96 0.910 8.245 -10.286 1.00 0.44 C ATOM 1572 CD PRO A 96 0.322 7.003 -10.887 1.00 75.11 C ATOM 0 HA PRO A 96 3.388 7.276 -11.868 1.00 42.54 H new ATOM 0 HB2 PRO A 96 2.492 7.554 -9.021 1.00 52.51 H new ATOM 0 HB3 PRO A 96 2.961 8.834 -10.123 1.00 52.51 H new ATOM 0 HG2 PRO A 96 0.398 8.511 -9.361 1.00 0.44 H new ATOM 0 HG3 PRO A 96 0.806 9.093 -10.963 1.00 0.44 H new ATOM 0 HD2 PRO A 96 -0.047 6.319 -10.122 1.00 75.11 H new ATOM 0 HD3 PRO A 96 -0.518 7.230 -11.543 1.00 75.11 H new ATOM 1580 N ALA A 97 2.850 4.650 -10.135 1.00 31.11 N ATOM 1581 CA ALA A 97 3.466 3.514 -9.454 1.00 74.04 C ATOM 1582 C ALA A 97 4.328 2.681 -10.405 1.00 22.42 C ATOM 1583 O ALA A 97 4.823 1.615 -10.038 1.00 43.04 O ATOM 1584 CB ALA A 97 2.397 2.642 -8.813 1.00 64.12 C ATOM 0 H ALA A 97 1.865 4.516 -10.366 1.00 31.11 H new ATOM 0 HA ALA A 97 4.120 3.910 -8.677 1.00 74.04 H new ATOM 0 HB1 ALA A 97 2.869 1.799 -8.309 1.00 64.12 H new ATOM 0 HB2 ALA A 97 1.835 3.230 -8.088 1.00 64.12 H new ATOM 0 HB3 ALA A 97 1.720 2.271 -9.583 1.00 64.12 H new ATOM 1590 N SER A 98 4.505 3.170 -11.625 1.00 62.41 N ATOM 1591 CA SER A 98 5.317 2.482 -12.616 1.00 53.33 C ATOM 1592 C SER A 98 6.773 2.945 -12.557 1.00 63.22 C ATOM 1593 O SER A 98 7.643 2.368 -13.210 1.00 12.41 O ATOM 1594 CB SER A 98 4.747 2.730 -14.012 1.00 3.13 C ATOM 1595 OG SER A 98 3.369 2.404 -14.064 1.00 21.45 O ATOM 0 H SER A 98 4.095 4.045 -11.952 1.00 62.41 H new ATOM 0 HA SER A 98 5.293 1.415 -12.396 1.00 53.33 H new ATOM 0 HB2 SER A 98 4.887 3.776 -14.285 1.00 3.13 H new ATOM 0 HB3 SER A 98 5.293 2.134 -14.743 1.00 3.13 H new ATOM 0 HG SER A 98 2.837 3.193 -13.828 1.00 21.45 H new ATOM 1601 N ASP A 99 7.038 3.985 -11.771 1.00 1.11 N ATOM 1602 CA ASP A 99 8.386 4.548 -11.688 1.00 31.12 C ATOM 1603 C ASP A 99 9.029 4.273 -10.332 1.00 55.14 C ATOM 1604 O ASP A 99 10.221 3.972 -10.250 1.00 22.41 O ATOM 1605 CB ASP A 99 8.359 6.058 -11.942 1.00 1.24 C ATOM 1606 CG ASP A 99 9.739 6.689 -11.848 1.00 50.44 C ATOM 1607 OD1 ASP A 99 10.527 6.548 -12.807 1.00 3.14 O ATOM 1608 OD2 ASP A 99 10.041 7.335 -10.821 1.00 13.01 O ATOM 0 H ASP A 99 6.345 4.453 -11.187 1.00 1.11 H new ATOM 0 HA ASP A 99 8.984 4.061 -12.458 1.00 31.12 H new ATOM 0 HB2 ASP A 99 7.942 6.249 -12.931 1.00 1.24 H new ATOM 0 HB3 ASP A 99 7.696 6.533 -11.219 1.00 1.24 H new ATOM 1613 N MET A 100 8.235 4.367 -9.275 1.00 62.41 N ATOM 1614 CA MET A 100 8.755 4.273 -7.912 1.00 65.41 C ATOM 1615 C MET A 100 9.228 2.860 -7.555 1.00 30.22 C ATOM 1616 O MET A 100 10.127 2.692 -6.727 1.00 62.51 O ATOM 1617 CB MET A 100 7.707 4.775 -6.902 1.00 52.13 C ATOM 1618 CG MET A 100 6.264 4.423 -7.248 1.00 64.45 C ATOM 1619 SD MET A 100 5.889 2.672 -7.054 1.00 12.32 S ATOM 1620 CE MET A 100 6.108 2.482 -5.289 1.00 22.10 C ATOM 0 H MET A 100 7.226 4.508 -9.332 1.00 62.41 H new ATOM 0 HA MET A 100 9.634 4.915 -7.860 1.00 65.41 H new ATOM 0 HB2 MET A 100 7.942 4.362 -5.921 1.00 52.13 H new ATOM 0 HB3 MET A 100 7.792 5.859 -6.820 1.00 52.13 H new ATOM 0 HG2 MET A 100 5.594 5.003 -6.613 1.00 64.45 H new ATOM 0 HG3 MET A 100 6.063 4.718 -8.278 1.00 64.45 H new ATOM 0 HE1 MET A 100 6.052 1.425 -5.027 1.00 22.10 H new ATOM 0 HE2 MET A 100 7.082 2.876 -4.999 1.00 22.10 H new ATOM 0 HE3 MET A 100 5.324 3.028 -4.764 1.00 22.10 H new ATOM 1630 N ALA A 101 8.648 1.854 -8.196 1.00 52.51 N ATOM 1631 CA ALA A 101 8.971 0.470 -7.896 1.00 24.20 C ATOM 1632 C ALA A 101 10.190 0.009 -8.680 1.00 13.22 C ATOM 1633 O ALA A 101 10.256 0.156 -9.903 1.00 45.24 O ATOM 1634 CB ALA A 101 7.779 -0.424 -8.195 1.00 4.21 C ATOM 0 H ALA A 101 7.949 1.974 -8.929 1.00 52.51 H new ATOM 0 HA ALA A 101 9.208 0.399 -6.834 1.00 24.20 H new ATOM 0 HB1 ALA A 101 8.034 -1.459 -7.966 1.00 4.21 H new ATOM 0 HB2 ALA A 101 6.931 -0.116 -7.584 1.00 4.21 H new ATOM 0 HB3 ALA A 101 7.517 -0.340 -9.250 1.00 4.21 H new