USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 523 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 36 LYS NZ :NH3+ 164:sc= 0.816! (180deg=-0.799!) USER MOD Set 1.2: A 39 ASN : amide:sc= 0.502 K(o=1.3,f=-6.4!) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 21 THR OG1 : rot -129:sc= 0.819 USER MOD Single : A 6 TYR OH : rot -85:sc= 0.891 USER MOD Single : A 8 CYS SG : rot 8:sc= -0.0634 USER MOD Single : A 17 THR OG1 : rot 10:sc= 1.45 USER MOD Single : A 20 GLN : amide:sc= -0.171! X(o=-0.17!,f=-0.17) USER MOD Single : A 27 SER OG : rot -27:sc= 0.0861 USER MOD Single : A 28 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.025) USER MOD Single : A 35 SER OG : rot 45:sc= 0.262 USER MOD Single : A 53 THR OG1 : rot -29:sc= -0.392 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= 0.908 (180deg=-0.109!) USER MOD Single : A 60 MET CE :methyl 175:sc= -0.82 (180deg=-0.894) USER MOD Single : A 67 MET CE :methyl 178:sc= 0 (180deg=-0.00408) USER MOD Single : A 68 ASN : amide:sc= 0.471 K(o=0.47,f=-7.3!) USER MOD Single : A 70 GLN : amide:sc= -1.61! C(o=-1.6!,f=-1.8!) USER MOD Single : A 76 ASN : amide:sc= 0.514 K(o=0.51,f=-0.17) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.157 X(o=0.16,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 68 N GLU A 5 10.820 9.201 -0.191 1.00 0.00 N ATOM 69 CA GLU A 5 9.799 8.326 0.276 1.00 0.00 C ATOM 70 C GLU A 5 9.397 7.431 -0.857 1.00 0.00 C ATOM 71 O GLU A 5 9.440 7.843 -2.023 1.00 0.00 O ATOM 72 CB GLU A 5 8.601 9.119 0.835 1.00 0.00 C ATOM 73 CG GLU A 5 7.894 10.032 -0.156 1.00 0.00 C ATOM 74 CD GLU A 5 6.562 9.475 -0.663 1.00 0.00 C ATOM 75 OE1 GLU A 5 6.537 8.765 -1.687 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 5.518 9.762 -0.035 1.00 0.00 O ATOM 0 HA GLU A 5 10.174 7.719 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.873 8.411 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.948 9.723 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.717 10.999 0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.552 10.208 -1.007 1.00 0.00 H new ATOM 83 N TYR A 6 9.100 6.215 -0.557 1.00 0.00 N ATOM 84 CA TYR A 6 8.643 5.332 -1.547 1.00 0.00 C ATOM 85 C TYR A 6 7.217 4.984 -1.346 1.00 0.00 C ATOM 86 O TYR A 6 6.851 4.172 -0.487 1.00 0.00 O ATOM 87 CB TYR A 6 9.549 4.131 -1.751 1.00 0.00 C ATOM 88 CG TYR A 6 10.717 4.461 -2.649 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.496 4.715 -3.994 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.019 4.513 -2.178 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.523 5.006 -4.851 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.067 4.814 -3.034 1.00 0.00 C ATOM 93 CZ TYR A 6 12.807 5.058 -4.372 1.00 0.00 C ATOM 94 OH TYR A 6 13.840 5.315 -5.237 1.00 0.00 O ATOM 0 H TYR A 6 9.170 5.815 0.379 1.00 0.00 H new ATOM 0 HA TYR A 6 8.697 5.865 -2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.918 3.785 -0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.976 3.312 -2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.486 4.682 -4.376 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.219 4.317 -1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.324 5.193 -5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.079 4.858 -2.660 1.00 0.00 H new ATOM 0 HH TYR A 6 14.131 4.479 -5.657 1.00 0.00 H new ATOM 104 N ARG A 7 6.418 5.629 -2.124 1.00 0.00 N ATOM 105 CA ARG A 7 5.011 5.487 -2.096 1.00 0.00 C ATOM 106 C ARG A 7 4.639 4.284 -2.950 1.00 0.00 C ATOM 107 O ARG A 7 5.025 4.185 -4.120 1.00 0.00 O ATOM 108 CB ARG A 7 4.395 6.765 -2.675 1.00 0.00 C ATOM 109 CG ARG A 7 2.891 6.903 -2.531 1.00 0.00 C ATOM 110 CD ARG A 7 2.467 7.019 -1.078 1.00 0.00 C ATOM 111 NE ARG A 7 3.072 8.161 -0.385 1.00 0.00 N ATOM 112 CZ ARG A 7 2.625 8.661 0.776 1.00 0.00 C ATOM 113 NH1 ARG A 7 1.476 8.220 1.305 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 3.329 9.588 1.397 1.00 0.00 N ATOM 0 H ARG A 7 6.744 6.296 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 7 4.643 5.335 -1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.866 7.622 -2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.645 6.817 -3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.554 7.783 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.403 6.040 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.382 7.107 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.736 6.102 -0.554 1.00 0.00 H new ATOM 0 HE ARG A 7 3.885 8.603 -0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.936 7.500 0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.141 8.604 2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.206 9.919 0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.997 9.974 2.281 1.00 0.00 H new ATOM 128 N CYS A 8 3.954 3.373 -2.355 1.00 0.00 N ATOM 129 CA CYS A 8 3.523 2.175 -2.999 1.00 0.00 C ATOM 130 C CYS A 8 2.014 2.265 -3.213 1.00 0.00 C ATOM 131 O CYS A 8 1.289 2.754 -2.331 1.00 0.00 O ATOM 132 CB CYS A 8 3.875 0.983 -2.100 1.00 0.00 C ATOM 133 SG CYS A 8 3.665 -0.636 -2.852 1.00 0.00 S ATOM 0 H CYS A 8 3.668 3.439 -1.378 1.00 0.00 H new ATOM 0 HA CYS A 8 4.014 2.044 -3.963 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.912 1.085 -1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.258 1.031 -1.203 1.00 0.00 H new ATOM 0 HG CYS A 8 3.392 -0.496 -4.115 1.00 0.00 H new ATOM 139 N PHE A 9 1.560 1.841 -4.364 1.00 0.00 N ATOM 140 CA PHE A 9 0.159 1.879 -4.719 1.00 0.00 C ATOM 141 C PHE A 9 -0.422 0.494 -4.563 1.00 0.00 C ATOM 142 O PHE A 9 0.056 -0.460 -5.194 1.00 0.00 O ATOM 143 CB PHE A 9 -0.006 2.354 -6.184 1.00 0.00 C ATOM 144 CG PHE A 9 -1.437 2.379 -6.706 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.012 1.241 -7.260 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.189 3.533 -6.656 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.303 1.261 -7.745 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.480 3.561 -7.144 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.039 2.423 -7.688 1.00 0.00 C ATOM 0 H PHE A 9 2.159 1.454 -5.093 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.364 2.577 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.412 3.357 -6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.586 1.704 -6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.439 0.327 -7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.762 4.428 -6.229 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.736 0.367 -8.169 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.053 4.475 -7.100 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.050 2.444 -8.068 1.00 0.00 H new ATOM 159 N VAL A 10 -1.420 0.369 -3.730 1.00 0.00 N ATOM 160 CA VAL A 10 -2.086 -0.886 -3.563 1.00 0.00 C ATOM 161 C VAL A 10 -3.552 -0.684 -3.905 1.00 0.00 C ATOM 162 O VAL A 10 -4.268 0.025 -3.205 1.00 0.00 O ATOM 163 CB VAL A 10 -1.969 -1.411 -2.100 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.575 -2.800 -1.972 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.524 -1.419 -1.629 1.00 0.00 C ATOM 0 H VAL A 10 -1.788 1.127 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.621 -1.624 -4.217 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.529 -0.728 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.481 -3.144 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.629 -2.764 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.050 -3.488 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.477 -1.790 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.066 -2.066 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.124 -0.406 -1.666 1.00 0.00 H new ATOM 175 N GLY A 11 -3.984 -1.292 -4.962 1.00 0.00 N ATOM 176 CA GLY A 11 -5.346 -1.179 -5.384 1.00 0.00 C ATOM 177 C GLY A 11 -5.992 -2.519 -5.483 1.00 0.00 C ATOM 178 O GLY A 11 -5.305 -3.524 -5.635 1.00 0.00 O ATOM 0 H GLY A 11 -3.404 -1.882 -5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.898 -0.557 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.390 -0.679 -6.351 1.00 0.00 H new ATOM 182 N GLY A 12 -7.293 -2.551 -5.386 1.00 0.00 N ATOM 183 CA GLY A 12 -7.995 -3.803 -5.459 1.00 0.00 C ATOM 184 C GLY A 12 -8.083 -4.419 -4.101 1.00 0.00 C ATOM 185 O GLY A 12 -7.827 -5.598 -3.925 1.00 0.00 O ATOM 0 H GLY A 12 -7.885 -1.731 -5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.996 -3.645 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.480 -4.479 -6.141 1.00 0.00 H new ATOM 189 N LEU A 13 -8.431 -3.600 -3.146 1.00 0.00 N ATOM 190 CA LEU A 13 -8.537 -4.004 -1.766 1.00 0.00 C ATOM 191 C LEU A 13 -9.872 -4.669 -1.501 1.00 0.00 C ATOM 192 O LEU A 13 -10.741 -4.734 -2.391 1.00 0.00 O ATOM 193 CB LEU A 13 -8.360 -2.798 -0.854 1.00 0.00 C ATOM 194 CG LEU A 13 -7.036 -2.050 -0.986 1.00 0.00 C ATOM 195 CD1 LEU A 13 -7.008 -0.862 -0.061 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.861 -2.970 -0.707 1.00 0.00 C ATOM 0 H LEU A 13 -8.653 -2.617 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.748 -4.727 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.172 -2.097 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.466 -3.129 0.179 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.949 -1.694 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.057 -0.340 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.824 -0.185 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.123 -1.200 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.930 -2.412 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.940 -3.364 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.868 -3.795 -1.419 1.00 0.00 H new ATOM 208 N ALA A 14 -10.043 -5.149 -0.304 1.00 0.00 N ATOM 209 CA ALA A 14 -11.232 -5.834 0.062 1.00 0.00 C ATOM 210 C ALA A 14 -12.119 -4.963 0.946 1.00 0.00 C ATOM 211 O ALA A 14 -11.869 -3.764 1.123 1.00 0.00 O ATOM 212 CB ALA A 14 -10.885 -7.139 0.726 1.00 0.00 C ATOM 0 H ALA A 14 -9.354 -5.072 0.444 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.806 -6.054 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.801 -7.660 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.311 -7.757 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.291 -6.946 1.619 1.00 0.00 H new ATOM 218 N TRP A 15 -13.140 -5.573 1.489 1.00 0.00 N ATOM 219 CA TRP A 15 -14.174 -4.889 2.244 1.00 0.00 C ATOM 220 C TRP A 15 -13.768 -4.536 3.671 1.00 0.00 C ATOM 221 O TRP A 15 -14.364 -3.650 4.280 1.00 0.00 O ATOM 222 CB TRP A 15 -15.478 -5.707 2.232 1.00 0.00 C ATOM 223 CG TRP A 15 -15.299 -7.144 2.636 1.00 0.00 C ATOM 224 CD1 TRP A 15 -15.474 -7.690 3.874 1.00 0.00 C ATOM 225 CD2 TRP A 15 -14.899 -8.215 1.777 1.00 0.00 C ATOM 226 NE1 TRP A 15 -15.201 -9.039 3.831 1.00 0.00 N ATOM 227 CE2 TRP A 15 -14.844 -9.381 2.552 1.00 0.00 C ATOM 228 CE3 TRP A 15 -14.579 -8.284 0.422 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -14.482 -10.614 2.015 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -14.218 -9.504 -0.115 1.00 0.00 C ATOM 231 CH2 TRP A 15 -14.173 -10.654 0.681 1.00 0.00 C ATOM 0 H TRP A 15 -13.285 -6.580 1.421 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.336 -3.936 1.740 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.196 -5.237 2.904 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.908 -5.672 1.231 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -15.781 -7.146 4.755 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.256 -9.680 4.622 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -14.613 -7.399 -0.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.446 -11.504 2.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -13.967 -9.571 -1.163 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -13.888 -11.595 0.233 1.00 0.00 H new ATOM 242 N ALA A 16 -12.777 -5.210 4.205 1.00 0.00 N ATOM 243 CA ALA A 16 -12.384 -4.977 5.587 1.00 0.00 C ATOM 244 C ALA A 16 -11.011 -4.340 5.654 1.00 0.00 C ATOM 245 O ALA A 16 -10.444 -4.125 6.750 1.00 0.00 O ATOM 246 CB ALA A 16 -12.419 -6.281 6.374 1.00 0.00 C ATOM 0 H ALA A 16 -12.229 -5.918 3.716 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.096 -4.286 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.123 -6.091 7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.429 -6.690 6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.730 -6.996 5.924 1.00 0.00 H new ATOM 252 N THR A 17 -10.491 -3.999 4.496 1.00 0.00 N ATOM 253 CA THR A 17 -9.192 -3.450 4.406 1.00 0.00 C ATOM 254 C THR A 17 -9.164 -2.046 5.012 1.00 0.00 C ATOM 255 O THR A 17 -9.852 -1.120 4.554 1.00 0.00 O ATOM 256 CB THR A 17 -8.706 -3.416 2.953 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.942 -4.701 2.332 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.215 -3.126 2.922 1.00 0.00 C ATOM 0 H THR A 17 -10.971 -4.101 3.602 1.00 0.00 H new ATOM 0 HA THR A 17 -8.515 -4.090 4.972 1.00 0.00 H new ATOM 0 HB THR A 17 -9.248 -2.638 2.414 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.496 -5.253 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.870 -3.102 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.022 -2.161 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.681 -3.906 3.464 1.00 0.00 H new ATOM 266 N THR A 18 -8.377 -1.915 6.030 1.00 0.00 N ATOM 267 CA THR A 18 -8.230 -0.716 6.774 1.00 0.00 C ATOM 268 C THR A 18 -6.808 -0.381 6.837 1.00 0.00 C ATOM 269 O THR A 18 -5.950 -1.146 6.372 1.00 0.00 O ATOM 270 CB THR A 18 -8.821 -0.880 8.184 1.00 0.00 C ATOM 271 OG1 THR A 18 -8.366 -2.120 8.740 1.00 0.00 O ATOM 272 CG2 THR A 18 -10.346 -0.860 8.156 1.00 0.00 C ATOM 0 H THR A 18 -7.795 -2.677 6.377 1.00 0.00 H new ATOM 0 HA THR A 18 -8.773 0.094 6.286 1.00 0.00 H new ATOM 0 HB THR A 18 -8.487 -0.044 8.798 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.738 -2.231 9.640 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.730 -0.978 9.169 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.690 0.090 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.709 -1.677 7.533 1.00 0.00 H new ATOM 280 N ASP A 19 -6.550 0.753 7.380 1.00 0.00 N ATOM 281 CA ASP A 19 -5.241 1.277 7.445 1.00 0.00 C ATOM 282 C ASP A 19 -4.347 0.389 8.286 1.00 0.00 C ATOM 283 O ASP A 19 -3.161 0.245 7.998 1.00 0.00 O ATOM 284 CB ASP A 19 -5.269 2.673 7.990 1.00 0.00 C ATOM 285 CG ASP A 19 -6.253 3.581 7.295 1.00 0.00 C ATOM 286 OD1 ASP A 19 -6.012 3.995 6.155 1.00 0.00 O ATOM 287 OD2 ASP A 19 -7.271 3.939 7.890 1.00 0.00 O1- ATOM 0 H ASP A 19 -7.260 1.353 7.800 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.829 1.307 6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.513 2.633 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.271 3.104 7.909 1.00 0.00 H new ATOM 292 N GLN A 20 -4.931 -0.245 9.303 1.00 0.00 N ATOM 293 CA GLN A 20 -4.180 -1.166 10.123 1.00 0.00 C ATOM 294 C GLN A 20 -3.802 -2.405 9.334 1.00 0.00 C ATOM 295 O GLN A 20 -2.633 -2.703 9.206 1.00 0.00 O ATOM 296 CB GLN A 20 -4.889 -1.539 11.432 1.00 0.00 C ATOM 297 CG GLN A 20 -6.298 -2.100 11.293 1.00 0.00 C ATOM 298 CD GLN A 20 -6.762 -2.834 12.539 1.00 0.00 C ATOM 299 OE1 GLN A 20 -7.941 -2.803 12.877 1.00 0.00 O ATOM 300 NE2 GLN A 20 -5.878 -3.583 13.161 1.00 0.00 N ATOM 0 H GLN A 20 -5.910 -0.133 9.568 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.270 -0.642 10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.277 -2.273 11.957 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.934 -0.652 12.063 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.989 -1.285 11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.332 -2.780 10.442 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.905 -3.585 12.854 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.165 -4.162 13.950 1.00 0.00 H new ATOM 309 N THR A 21 -4.788 -3.063 8.714 1.00 0.00 N ATOM 310 CA THR A 21 -4.527 -4.282 7.969 1.00 0.00 C ATOM 311 C THR A 21 -3.575 -4.040 6.791 1.00 0.00 C ATOM 312 O THR A 21 -2.834 -4.931 6.384 1.00 0.00 O ATOM 313 CB THR A 21 -5.834 -5.019 7.538 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.764 -4.122 6.890 1.00 0.00 O ATOM 315 CG2 THR A 21 -6.511 -5.657 8.743 1.00 0.00 C ATOM 0 H THR A 21 -5.764 -2.768 8.718 1.00 0.00 H new ATOM 0 HA THR A 21 -4.016 -4.959 8.654 1.00 0.00 H new ATOM 0 HB THR A 21 -5.546 -5.793 6.826 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.646 -4.206 7.309 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.420 -6.166 8.422 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.834 -6.378 9.201 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.764 -4.885 9.469 1.00 0.00 H new ATOM 323 N LEU A 22 -3.591 -2.820 6.273 1.00 0.00 N ATOM 324 CA LEU A 22 -2.666 -2.406 5.240 1.00 0.00 C ATOM 325 C LEU A 22 -1.253 -2.291 5.843 1.00 0.00 C ATOM 326 O LEU A 22 -0.307 -2.958 5.396 1.00 0.00 O ATOM 327 CB LEU A 22 -3.086 -1.035 4.696 1.00 0.00 C ATOM 328 CG LEU A 22 -2.288 -0.503 3.507 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.636 -1.261 2.236 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.500 0.993 3.335 1.00 0.00 C ATOM 0 H LEU A 22 -4.247 -2.093 6.560 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.670 -3.139 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.135 -1.089 4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.016 -0.310 5.507 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.229 -0.666 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.055 -0.863 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.405 -2.318 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.699 -1.146 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.921 1.347 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.558 1.193 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.173 1.513 4.236 1.00 0.00 H new ATOM 342 N GLY A 23 -1.144 -1.477 6.887 1.00 0.00 N ATOM 343 CA GLY A 23 0.127 -1.207 7.528 1.00 0.00 C ATOM 344 C GLY A 23 0.776 -2.438 8.118 1.00 0.00 C ATOM 345 O GLY A 23 1.939 -2.710 7.839 1.00 0.00 O ATOM 0 H GLY A 23 -1.935 -0.989 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.805 -0.762 6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.022 -0.470 8.317 1.00 0.00 H new ATOM 349 N GLU A 24 0.015 -3.202 8.885 1.00 0.00 N ATOM 350 CA GLU A 24 0.506 -4.400 9.567 1.00 0.00 C ATOM 351 C GLU A 24 1.052 -5.422 8.566 1.00 0.00 C ATOM 352 O GLU A 24 2.122 -6.011 8.776 1.00 0.00 O ATOM 353 CB GLU A 24 -0.612 -5.017 10.431 1.00 0.00 C ATOM 354 CG GLU A 24 -1.091 -4.103 11.564 1.00 0.00 C ATOM 355 CD GLU A 24 -2.282 -4.662 12.331 1.00 0.00 C ATOM 356 OE1 GLU A 24 -2.081 -5.536 13.183 1.00 0.00 O1- ATOM 357 OE2 GLU A 24 -3.432 -4.209 12.079 1.00 0.00 O ATOM 0 H GLU A 24 -0.972 -3.010 9.057 1.00 0.00 H new ATOM 0 HA GLU A 24 1.328 -4.109 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.460 -5.262 9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.254 -5.953 10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.268 -3.936 12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.360 -3.132 11.148 1.00 0.00 H new ATOM 364 N ALA A 25 0.355 -5.570 7.448 1.00 0.00 N ATOM 365 CA ALA A 25 0.742 -6.517 6.418 1.00 0.00 C ATOM 366 C ALA A 25 2.032 -6.096 5.720 1.00 0.00 C ATOM 367 O ALA A 25 2.931 -6.906 5.519 1.00 0.00 O ATOM 368 CB ALA A 25 -0.375 -6.690 5.406 1.00 0.00 C ATOM 0 H ALA A 25 -0.489 -5.039 7.232 1.00 0.00 H new ATOM 0 HA ALA A 25 0.927 -7.474 6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.066 -7.403 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.268 -7.061 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.594 -5.730 4.939 1.00 0.00 H new ATOM 374 N PHE A 26 2.143 -4.827 5.382 1.00 0.00 N ATOM 375 CA PHE A 26 3.324 -4.362 4.674 1.00 0.00 C ATOM 376 C PHE A 26 4.488 -4.071 5.595 1.00 0.00 C ATOM 377 O PHE A 26 5.629 -3.942 5.145 1.00 0.00 O ATOM 378 CB PHE A 26 3.030 -3.193 3.755 1.00 0.00 C ATOM 379 CG PHE A 26 2.155 -3.565 2.577 1.00 0.00 C ATOM 380 CD1 PHE A 26 2.722 -4.048 1.414 1.00 0.00 C ATOM 381 CD2 PHE A 26 0.778 -3.445 2.636 1.00 0.00 C ATOM 382 CE1 PHE A 26 1.939 -4.403 0.330 1.00 0.00 C ATOM 383 CE2 PHE A 26 -0.012 -3.799 1.560 1.00 0.00 C ATOM 384 CZ PHE A 26 0.570 -4.277 0.406 1.00 0.00 C ATOM 0 H PHE A 26 1.446 -4.109 5.580 1.00 0.00 H new ATOM 0 HA PHE A 26 3.631 -5.194 4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.542 -2.404 4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.971 -2.784 3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.795 -4.150 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.314 -3.069 3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.400 -4.777 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.086 -3.701 1.623 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.046 -4.552 -0.437 1.00 0.00 H new ATOM 394 N SER A 27 4.212 -4.013 6.884 1.00 0.00 N ATOM 395 CA SER A 27 5.239 -3.828 7.892 1.00 0.00 C ATOM 396 C SER A 27 6.118 -5.077 7.963 1.00 0.00 C ATOM 397 O SER A 27 7.174 -5.066 8.572 1.00 0.00 O ATOM 398 CB SER A 27 4.603 -3.527 9.264 1.00 0.00 C ATOM 399 OG SER A 27 5.579 -3.269 10.260 1.00 0.00 O ATOM 0 H SER A 27 3.268 -4.093 7.262 1.00 0.00 H new ATOM 0 HA SER A 27 5.860 -2.975 7.617 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.941 -2.666 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.987 -4.372 9.571 1.00 0.00 H new ATOM 0 HG SER A 27 6.411 -3.732 10.030 1.00 0.00 H new ATOM 405 N GLN A 28 5.647 -6.157 7.348 1.00 0.00 N ATOM 406 CA GLN A 28 6.405 -7.385 7.283 1.00 0.00 C ATOM 407 C GLN A 28 7.481 -7.273 6.198 1.00 0.00 C ATOM 408 O GLN A 28 8.406 -8.069 6.155 1.00 0.00 O ATOM 409 CB GLN A 28 5.486 -8.581 6.987 1.00 0.00 C ATOM 410 CG GLN A 28 4.344 -8.782 7.987 1.00 0.00 C ATOM 411 CD GLN A 28 4.818 -8.954 9.419 1.00 0.00 C ATOM 412 OE1 GLN A 28 5.093 -10.054 9.867 1.00 0.00 O ATOM 413 NE2 GLN A 28 4.878 -7.873 10.156 1.00 0.00 N ATOM 0 H GLN A 28 4.738 -6.199 6.887 1.00 0.00 H new ATOM 0 HA GLN A 28 6.880 -7.549 8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.060 -8.455 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.091 -9.487 6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 28 3.671 -7.926 7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.766 -9.659 7.696 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.642 -6.967 9.752 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.161 -7.937 11.134 1.00 0.00 H new ATOM 422 N PHE A 29 7.341 -6.278 5.317 1.00 0.00 N ATOM 423 CA PHE A 29 8.307 -6.081 4.255 1.00 0.00 C ATOM 424 C PHE A 29 9.297 -4.997 4.617 1.00 0.00 C ATOM 425 O PHE A 29 10.492 -5.155 4.403 1.00 0.00 O ATOM 426 CB PHE A 29 7.630 -5.760 2.919 1.00 0.00 C ATOM 427 CG PHE A 29 6.728 -6.849 2.423 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.252 -8.047 1.968 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.365 -6.674 2.407 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.425 -9.051 1.511 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.531 -7.667 1.953 1.00 0.00 C ATOM 432 CZ PHE A 29 5.060 -8.862 1.503 1.00 0.00 C ATOM 0 H PHE A 29 6.573 -5.607 5.325 1.00 0.00 H new ATOM 0 HA PHE A 29 8.846 -7.021 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.052 -4.842 3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.398 -5.567 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.322 -8.197 1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.944 -5.743 2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.845 -9.982 1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.462 -7.514 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.406 -9.644 1.147 1.00 0.00 H new ATOM 442 N GLY A 30 8.822 -3.887 5.163 1.00 0.00 N ATOM 443 CA GLY A 30 9.772 -2.868 5.529 1.00 0.00 C ATOM 444 C GLY A 30 9.204 -1.750 6.343 1.00 0.00 C ATOM 445 O GLY A 30 8.040 -1.799 6.765 1.00 0.00 O ATOM 0 H GLY A 30 7.841 -3.682 5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.584 -3.331 6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.208 -2.453 4.620 1.00 0.00 H new ATOM 449 N GLU A 31 10.031 -0.726 6.512 1.00 0.00 N ATOM 450 CA GLU A 31 9.743 0.447 7.314 1.00 0.00 C ATOM 451 C GLU A 31 8.583 1.227 6.737 1.00 0.00 C ATOM 452 O GLU A 31 8.647 1.721 5.595 1.00 0.00 O ATOM 453 CB GLU A 31 10.975 1.359 7.350 1.00 0.00 C ATOM 454 CG GLU A 31 12.257 0.675 7.797 1.00 0.00 C ATOM 455 CD GLU A 31 12.133 0.043 9.161 1.00 0.00 C ATOM 456 OE1 GLU A 31 12.341 0.748 10.158 1.00 0.00 O ATOM 457 OE2 GLU A 31 11.827 -1.159 9.222 1.00 0.00 O1- ATOM 0 H GLU A 31 10.953 -0.692 6.077 1.00 0.00 H new ATOM 0 HA GLU A 31 9.484 0.114 8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.130 1.778 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.772 2.195 8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.529 -0.090 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.067 1.404 7.811 1.00 0.00 H new ATOM 464 N ILE A 32 7.546 1.341 7.516 1.00 0.00 N ATOM 465 CA ILE A 32 6.353 2.044 7.128 1.00 0.00 C ATOM 466 C ILE A 32 6.425 3.481 7.634 1.00 0.00 C ATOM 467 O ILE A 32 6.496 3.718 8.833 1.00 0.00 O ATOM 468 CB ILE A 32 5.079 1.357 7.714 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.993 -0.120 7.282 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.809 2.104 7.310 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.908 -0.338 5.785 1.00 0.00 C ATOM 0 H ILE A 32 7.503 0.942 8.454 1.00 0.00 H new ATOM 0 HA ILE A 32 6.285 2.029 6.040 1.00 0.00 H new ATOM 0 HB ILE A 32 5.163 1.392 8.800 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.867 -0.647 7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.119 -0.571 7.751 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.940 1.600 7.734 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.854 3.127 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.726 2.119 6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.851 -1.406 5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.018 0.156 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.794 0.079 5.306 1.00 0.00 H new ATOM 483 N LEU A 33 6.437 4.420 6.719 1.00 0.00 N ATOM 484 CA LEU A 33 6.458 5.833 7.079 1.00 0.00 C ATOM 485 C LEU A 33 5.035 6.347 7.205 1.00 0.00 C ATOM 486 O LEU A 33 4.763 7.281 7.947 1.00 0.00 O ATOM 487 CB LEU A 33 7.187 6.672 6.016 1.00 0.00 C ATOM 488 CG LEU A 33 8.655 6.341 5.717 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.185 7.289 4.652 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.513 6.435 6.976 1.00 0.00 C ATOM 0 H LEU A 33 6.433 4.239 5.715 1.00 0.00 H new ATOM 0 HA LEU A 33 6.988 5.927 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.629 6.587 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.136 7.717 6.323 1.00 0.00 H new ATOM 0 HG LEU A 33 8.708 5.315 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.228 7.053 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.596 7.179 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.111 8.316 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.547 6.195 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.461 7.447 7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.144 5.730 7.721 1.00 0.00 H new ATOM 502 N ASP A 34 4.145 5.707 6.471 1.00 0.00 N ATOM 503 CA ASP A 34 2.737 6.088 6.375 1.00 0.00 C ATOM 504 C ASP A 34 1.976 4.969 5.688 1.00 0.00 C ATOM 505 O ASP A 34 2.564 4.223 4.894 1.00 0.00 O ATOM 506 CB ASP A 34 2.598 7.423 5.594 1.00 0.00 C ATOM 507 CG ASP A 34 1.191 7.722 5.111 1.00 0.00 C ATOM 508 OD1 ASP A 34 0.260 7.717 5.924 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 1.026 7.924 3.878 1.00 0.00 O ATOM 0 H ASP A 34 4.380 4.888 5.910 1.00 0.00 H new ATOM 0 HA ASP A 34 2.321 6.243 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.931 8.240 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.267 7.398 4.734 1.00 0.00 H new ATOM 514 N SER A 35 0.729 4.811 6.022 1.00 0.00 N ATOM 515 CA SER A 35 -0.105 3.796 5.444 1.00 0.00 C ATOM 516 C SER A 35 -1.558 4.221 5.531 1.00 0.00 C ATOM 517 O SER A 35 -2.171 4.148 6.604 1.00 0.00 O ATOM 518 CB SER A 35 0.142 2.433 6.121 1.00 0.00 C ATOM 519 OG SER A 35 0.021 2.525 7.533 1.00 0.00 O ATOM 0 H SER A 35 0.255 5.392 6.714 1.00 0.00 H new ATOM 0 HA SER A 35 0.149 3.675 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.571 1.702 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.137 2.072 5.863 1.00 0.00 H new ATOM 0 HG SER A 35 -0.780 3.041 7.760 1.00 0.00 H new ATOM 525 N LYS A 36 -2.090 4.688 4.435 1.00 0.00 N ATOM 526 CA LYS A 36 -3.443 5.164 4.402 1.00 0.00 C ATOM 527 C LYS A 36 -4.229 4.625 3.241 1.00 0.00 C ATOM 528 O LYS A 36 -3.773 4.631 2.087 1.00 0.00 O ATOM 529 CB LYS A 36 -3.518 6.702 4.422 1.00 0.00 C ATOM 530 CG LYS A 36 -3.555 7.341 5.818 1.00 0.00 C ATOM 531 CD LYS A 36 -4.765 6.849 6.637 1.00 0.00 C ATOM 532 CE LYS A 36 -6.106 7.119 5.931 1.00 0.00 C ATOM 533 NZ LYS A 36 -7.236 6.415 6.597 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.599 4.749 3.543 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.902 4.783 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.658 7.098 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.408 7.013 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.634 7.105 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.598 8.426 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.664 5.779 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.765 7.341 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.302 8.191 5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.040 6.798 4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.137 6.823 6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.207 5.404 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.154 6.525 7.628 1.00 0.00 H new ATOM 547 N ILE A 37 -5.397 4.147 3.556 1.00 0.00 N ATOM 548 CA ILE A 37 -6.356 3.726 2.577 1.00 0.00 C ATOM 549 C ILE A 37 -6.981 4.983 2.009 1.00 0.00 C ATOM 550 O ILE A 37 -7.217 5.954 2.753 1.00 0.00 O ATOM 551 CB ILE A 37 -7.488 2.866 3.234 1.00 0.00 C ATOM 552 CG1 ILE A 37 -6.911 1.650 3.965 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.534 2.424 2.206 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.194 0.668 3.075 1.00 0.00 C ATOM 0 H ILE A 37 -5.716 4.037 4.519 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.866 3.122 1.813 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.985 3.502 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.219 1.998 4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.721 1.132 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.302 1.830 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.992 3.303 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.054 1.824 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.818 -0.160 3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.885 0.287 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.359 1.166 2.582 1.00 0.00 H new ATOM 566 N ILE A 38 -7.217 5.005 0.723 1.00 0.00 N ATOM 567 CA ILE A 38 -7.880 6.119 0.133 1.00 0.00 C ATOM 568 C ILE A 38 -9.342 6.004 0.464 1.00 0.00 C ATOM 569 O ILE A 38 -10.068 5.152 -0.065 1.00 0.00 O ATOM 570 CB ILE A 38 -7.633 6.225 -1.394 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.135 6.478 -1.660 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.492 7.333 -2.020 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.605 7.782 -1.071 1.00 0.00 C ATOM 0 H ILE A 38 -6.958 4.263 0.073 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.473 7.043 0.543 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.924 5.284 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.560 5.648 -1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.965 6.483 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.297 7.383 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.547 7.114 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.243 8.290 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.545 7.882 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.151 8.623 -1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.740 7.774 0.011 1.00 0.00 H new ATOM 585 N ASN A 39 -9.729 6.781 1.412 1.00 0.00 N ATOM 586 CA ASN A 39 -11.058 6.774 1.926 1.00 0.00 C ATOM 587 C ASN A 39 -11.949 7.676 1.124 1.00 0.00 C ATOM 588 O ASN A 39 -11.487 8.513 0.333 1.00 0.00 O ATOM 589 CB ASN A 39 -11.067 7.211 3.396 1.00 0.00 C ATOM 590 CG ASN A 39 -10.349 6.246 4.353 1.00 0.00 C ATOM 591 OD1 ASN A 39 -9.672 6.678 5.302 1.00 0.00 O ATOM 592 ND2 ASN A 39 -10.538 4.958 4.171 1.00 0.00 N ATOM 0 H ASN A 39 -9.116 7.458 1.866 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.439 5.755 1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.600 8.193 3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.101 7.323 3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.125 4.286 4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.098 4.631 3.384 1.00 0.00 H new ATOM 706 N ARG A 47 -12.195 3.582 -0.791 1.00 0.00 N ATOM 707 CA ARG A 47 -12.359 3.676 -2.241 1.00 0.00 C ATOM 708 C ARG A 47 -11.652 2.560 -3.017 1.00 0.00 C ATOM 709 O ARG A 47 -11.373 2.694 -4.199 1.00 0.00 O ATOM 710 CB ARG A 47 -11.990 5.077 -2.753 1.00 0.00 C ATOM 711 CG ARG A 47 -12.973 6.132 -2.270 1.00 0.00 C ATOM 712 CD ARG A 47 -12.743 7.502 -2.891 1.00 0.00 C ATOM 713 NE ARG A 47 -13.888 8.379 -2.603 1.00 0.00 N ATOM 714 CZ ARG A 47 -13.902 9.710 -2.502 1.00 0.00 C ATOM 715 NH1 ARG A 47 -12.791 10.432 -2.658 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -15.046 10.297 -2.215 1.00 0.00 N ATOM 0 HA ARG A 47 -13.420 3.521 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.986 5.334 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.969 5.072 -3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.987 5.804 -2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.901 6.216 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.828 7.942 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.610 7.405 -3.968 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.784 7.912 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.905 9.968 -2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.827 11.448 -2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.887 9.736 -2.077 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.091 11.313 -2.131 1.00 0.00 H new ATOM 730 N GLY A 48 -11.387 1.459 -2.341 1.00 0.00 N ATOM 731 CA GLY A 48 -10.879 0.271 -3.010 1.00 0.00 C ATOM 732 C GLY A 48 -9.378 0.226 -3.192 1.00 0.00 C ATOM 733 O GLY A 48 -8.844 -0.780 -3.681 1.00 0.00 O ATOM 0 H GLY A 48 -11.513 1.359 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.186 -0.606 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.350 0.196 -3.990 1.00 0.00 H new ATOM 737 N PHE A 49 -8.686 1.279 -2.819 1.00 0.00 N ATOM 738 CA PHE A 49 -7.247 1.300 -2.950 1.00 0.00 C ATOM 739 C PHE A 49 -6.634 2.158 -1.855 1.00 0.00 C ATOM 740 O PHE A 49 -7.356 2.882 -1.154 1.00 0.00 O ATOM 741 CB PHE A 49 -6.808 1.761 -4.363 1.00 0.00 C ATOM 742 CG PHE A 49 -7.018 3.207 -4.690 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.285 3.725 -4.908 1.00 0.00 C ATOM 744 CD2 PHE A 49 -5.930 4.046 -4.786 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.459 5.059 -5.215 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.090 5.381 -5.096 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.357 5.891 -5.310 1.00 0.00 C ATOM 0 H PHE A 49 -9.093 2.127 -2.425 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.876 0.282 -2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.748 1.535 -4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.346 1.163 -5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.146 3.077 -4.837 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.938 3.654 -4.616 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.451 5.452 -5.380 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.227 6.026 -5.171 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.487 6.936 -5.551 1.00 0.00 H new ATOM 757 N GLY A 50 -5.345 2.049 -1.684 1.00 0.00 N ATOM 758 CA GLY A 50 -4.652 2.787 -0.674 1.00 0.00 C ATOM 759 C GLY A 50 -3.188 2.909 -1.000 1.00 0.00 C ATOM 760 O GLY A 50 -2.713 2.318 -1.977 1.00 0.00 O ATOM 0 H GLY A 50 -4.747 1.443 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.091 3.780 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.773 2.292 0.290 1.00 0.00 H new ATOM 764 N PHE A 51 -2.476 3.658 -0.206 1.00 0.00 N ATOM 765 CA PHE A 51 -1.062 3.848 -0.409 1.00 0.00 C ATOM 766 C PHE A 51 -0.275 3.461 0.820 1.00 0.00 C ATOM 767 O PHE A 51 -0.705 3.698 1.954 1.00 0.00 O ATOM 768 CB PHE A 51 -0.730 5.295 -0.779 1.00 0.00 C ATOM 769 CG PHE A 51 -1.197 5.737 -2.139 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.435 5.471 -3.262 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.373 6.440 -2.288 1.00 0.00 C ATOM 772 CE1 PHE A 51 -0.839 5.898 -4.509 1.00 0.00 C ATOM 773 CE2 PHE A 51 -2.789 6.867 -3.533 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.021 6.597 -4.646 1.00 0.00 C ATOM 0 H PHE A 51 -2.856 4.155 0.600 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.779 3.200 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.171 5.954 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.351 5.427 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.489 4.921 -3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.977 6.660 -1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.232 5.686 -5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.716 7.412 -3.635 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.343 6.931 -5.621 1.00 0.00 H new ATOM 784 N VAL A 52 0.861 2.865 0.591 1.00 0.00 N ATOM 785 CA VAL A 52 1.771 2.484 1.651 1.00 0.00 C ATOM 786 C VAL A 52 3.055 3.258 1.423 1.00 0.00 C ATOM 787 O VAL A 52 3.454 3.446 0.278 1.00 0.00 O ATOM 788 CB VAL A 52 2.084 0.958 1.630 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.910 0.553 2.837 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.813 0.137 1.561 1.00 0.00 C ATOM 0 H VAL A 52 1.191 2.625 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 52 1.319 2.706 2.618 1.00 0.00 H new ATOM 0 HB VAL A 52 2.668 0.757 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.113 -0.517 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.852 1.102 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.359 0.783 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.065 -0.923 1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.193 0.352 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.265 0.391 0.654 1.00 0.00 H new ATOM 800 N THR A 53 3.666 3.727 2.458 1.00 0.00 N ATOM 801 CA THR A 53 4.850 4.515 2.320 1.00 0.00 C ATOM 802 C THR A 53 6.040 3.851 2.981 1.00 0.00 C ATOM 803 O THR A 53 6.010 3.539 4.173 1.00 0.00 O ATOM 804 CB THR A 53 4.622 5.876 2.948 1.00 0.00 C ATOM 805 OG1 THR A 53 3.384 6.380 2.453 1.00 0.00 O ATOM 806 CG2 THR A 53 5.753 6.827 2.576 1.00 0.00 C ATOM 0 H THR A 53 3.363 3.578 3.420 1.00 0.00 H new ATOM 0 HA THR A 53 5.067 4.618 1.257 1.00 0.00 H new ATOM 0 HB THR A 53 4.596 5.790 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.220 6.021 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.576 7.800 3.034 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.700 6.424 2.935 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.793 6.938 1.492 1.00 0.00 H new ATOM 814 N PHE A 54 7.063 3.649 2.213 1.00 0.00 N ATOM 815 CA PHE A 54 8.296 3.079 2.674 1.00 0.00 C ATOM 816 C PHE A 54 9.393 4.102 2.543 1.00 0.00 C ATOM 817 O PHE A 54 9.191 5.146 1.939 1.00 0.00 O ATOM 818 CB PHE A 54 8.676 1.887 1.818 1.00 0.00 C ATOM 819 CG PHE A 54 7.773 0.701 1.934 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.962 -0.231 2.938 1.00 0.00 C ATOM 821 CD2 PHE A 54 6.746 0.507 1.029 1.00 0.00 C ATOM 822 CE1 PHE A 54 7.143 -1.331 3.040 1.00 0.00 C ATOM 823 CE2 PHE A 54 5.927 -0.593 1.125 1.00 0.00 C ATOM 824 CZ PHE A 54 6.127 -1.513 2.132 1.00 0.00 C ATOM 0 H PHE A 54 7.067 3.881 1.220 1.00 0.00 H new ATOM 0 HA PHE A 54 8.168 2.769 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.701 2.203 0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.688 1.579 2.082 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.762 -0.093 3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.586 1.226 0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.298 -2.050 3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.128 -0.736 0.413 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.485 -2.378 2.208 1.00 0.00 H new ATOM 834 N LYS A 55 10.545 3.824 3.106 1.00 0.00 N ATOM 835 CA LYS A 55 11.673 4.712 2.903 1.00 0.00 C ATOM 836 C LYS A 55 12.726 4.028 2.026 1.00 0.00 C ATOM 837 O LYS A 55 13.564 4.678 1.412 1.00 0.00 O ATOM 838 CB LYS A 55 12.286 5.185 4.225 1.00 0.00 C ATOM 839 CG LYS A 55 13.261 6.332 4.014 1.00 0.00 C ATOM 840 CD LYS A 55 13.831 6.897 5.294 1.00 0.00 C ATOM 841 CE LYS A 55 14.741 8.054 4.944 1.00 0.00 C ATOM 842 NZ LYS A 55 15.356 8.709 6.115 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.728 3.012 3.695 1.00 0.00 H new ATOM 0 HA LYS A 55 11.306 5.602 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.492 5.502 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.801 4.353 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.081 5.987 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.755 7.130 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.028 7.232 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.385 6.129 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.531 7.695 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.171 8.795 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.964 9.490 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.610 9.082 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.928 8.017 6.639 1.00 0.00 H new ATOM 856 N ASP A 56 12.651 2.720 1.960 1.00 0.00 N ATOM 857 CA ASP A 56 13.572 1.940 1.146 1.00 0.00 C ATOM 858 C ASP A 56 12.865 1.478 -0.101 1.00 0.00 C ATOM 859 O ASP A 56 11.646 1.222 -0.070 1.00 0.00 O ATOM 860 CB ASP A 56 14.133 0.726 1.907 1.00 0.00 C ATOM 861 CG ASP A 56 14.894 -0.192 0.991 1.00 0.00 C ATOM 862 OD1 ASP A 56 15.879 0.244 0.389 1.00 0.00 O ATOM 863 OD2 ASP A 56 14.451 -1.323 0.809 1.00 0.00 O1- ATOM 0 H ASP A 56 11.959 2.164 2.462 1.00 0.00 H new ATOM 0 HA ASP A 56 14.415 2.580 0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.788 1.068 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.315 0.179 2.376 1.00 0.00 H new ATOM 868 N GLU A 57 13.598 1.358 -1.186 1.00 0.00 N ATOM 869 CA GLU A 57 12.996 0.986 -2.422 1.00 0.00 C ATOM 870 C GLU A 57 12.778 -0.506 -2.484 1.00 0.00 C ATOM 871 O GLU A 57 11.765 -0.948 -3.014 1.00 0.00 O ATOM 872 CB GLU A 57 13.792 1.439 -3.638 1.00 0.00 C ATOM 873 CG GLU A 57 12.979 1.298 -4.912 1.00 0.00 C ATOM 874 CD GLU A 57 13.706 1.663 -6.159 1.00 0.00 C ATOM 875 OE1 GLU A 57 14.402 2.696 -6.182 1.00 0.00 O ATOM 876 OE2 GLU A 57 13.511 0.964 -7.182 1.00 0.00 O1- ATOM 0 H GLU A 57 14.605 1.514 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 57 12.036 1.501 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.095 2.478 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.704 0.848 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.637 0.266 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.090 1.923 -4.830 1.00 0.00 H new ATOM 883 N LYS A 58 13.686 -1.294 -1.909 1.00 0.00 N ATOM 884 CA LYS A 58 13.551 -2.734 -1.984 1.00 0.00 C ATOM 885 C LYS A 58 12.373 -3.165 -1.151 1.00 0.00 C ATOM 886 O LYS A 58 11.610 -3.990 -1.572 1.00 0.00 O ATOM 887 CB LYS A 58 14.812 -3.483 -1.555 1.00 0.00 C ATOM 888 CG LYS A 58 14.724 -5.014 -1.786 1.00 0.00 C ATOM 889 CD LYS A 58 14.605 -5.371 -3.290 1.00 0.00 C ATOM 890 CE LYS A 58 14.383 -6.883 -3.544 1.00 0.00 C ATOM 891 NZ LYS A 58 13.021 -7.351 -3.189 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.504 -0.962 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 58 13.390 -2.992 -3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.666 -3.088 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.998 -3.292 -0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.609 -5.495 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.862 -5.412 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.777 -4.811 -3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.511 -5.052 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.569 -7.097 -4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.115 -7.451 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.081 -8.291 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.588 -6.683 -2.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.438 -7.408 -4.049 1.00 0.00 H new ATOM 905 N ALA A 59 12.219 -2.549 0.005 1.00 0.00 N ATOM 906 CA ALA A 59 11.063 -2.772 0.867 1.00 0.00 C ATOM 907 C ALA A 59 9.766 -2.508 0.093 1.00 0.00 C ATOM 908 O ALA A 59 8.783 -3.239 0.230 1.00 0.00 O ATOM 909 CB ALA A 59 11.140 -1.869 2.083 1.00 0.00 C ATOM 0 H ALA A 59 12.890 -1.878 0.378 1.00 0.00 H new ATOM 0 HA ALA A 59 11.066 -3.810 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.273 -2.042 2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.050 -2.087 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.152 -0.827 1.762 1.00 0.00 H new ATOM 915 N MET A 60 9.780 -1.471 -0.745 1.00 0.00 N ATOM 916 CA MET A 60 8.636 -1.170 -1.592 1.00 0.00 C ATOM 917 C MET A 60 8.503 -2.249 -2.661 1.00 0.00 C ATOM 918 O MET A 60 7.402 -2.664 -3.001 1.00 0.00 O ATOM 919 CB MET A 60 8.776 0.203 -2.271 1.00 0.00 C ATOM 920 CG MET A 60 7.580 0.557 -3.160 1.00 0.00 C ATOM 921 SD MET A 60 7.791 2.077 -4.107 1.00 0.00 S ATOM 922 CE MET A 60 9.175 1.635 -5.162 1.00 0.00 C ATOM 0 H MET A 60 10.568 -0.832 -0.852 1.00 0.00 H new ATOM 0 HA MET A 60 7.747 -1.145 -0.962 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.892 0.970 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.685 0.213 -2.873 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.398 -0.266 -3.851 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.692 0.651 -2.535 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.367 2.443 -5.868 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.061 1.470 -4.549 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.938 0.723 -5.710 1.00 0.00 H new ATOM 932 N ARG A 61 9.640 -2.698 -3.172 1.00 0.00 N ATOM 933 CA ARG A 61 9.693 -3.737 -4.186 1.00 0.00 C ATOM 934 C ARG A 61 9.122 -5.028 -3.647 1.00 0.00 C ATOM 935 O ARG A 61 8.230 -5.567 -4.243 1.00 0.00 O ATOM 936 CB ARG A 61 11.125 -3.950 -4.726 1.00 0.00 C ATOM 937 CG ARG A 61 11.725 -2.745 -5.439 1.00 0.00 C ATOM 938 CD ARG A 61 10.941 -2.388 -6.680 1.00 0.00 C ATOM 939 NE ARG A 61 11.339 -1.097 -7.245 1.00 0.00 N ATOM 940 CZ ARG A 61 10.608 -0.420 -8.127 1.00 0.00 C ATOM 941 NH1 ARG A 61 9.574 -1.004 -8.716 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 10.940 0.813 -8.452 1.00 0.00 N ATOM 0 H ARG A 61 10.556 -2.349 -2.892 1.00 0.00 H new ATOM 0 HA ARG A 61 9.082 -3.407 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.775 -4.223 -3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.117 -4.795 -5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.743 -1.892 -4.761 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.759 -2.959 -5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.080 -3.167 -7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.878 -2.363 -6.439 1.00 0.00 H new ATOM 0 HE ARG A 61 12.227 -0.694 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.339 -1.971 -8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.013 -0.486 -9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.758 1.250 -8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.379 1.331 -9.128 1.00 0.00 H new ATOM 956 N ASP A 62 9.594 -5.466 -2.477 1.00 0.00 N ATOM 957 CA ASP A 62 9.112 -6.704 -1.826 1.00 0.00 C ATOM 958 C ASP A 62 7.640 -6.628 -1.538 1.00 0.00 C ATOM 959 O ASP A 62 6.929 -7.630 -1.594 1.00 0.00 O ATOM 960 CB ASP A 62 9.883 -7.026 -0.531 1.00 0.00 C ATOM 961 CG ASP A 62 11.284 -7.514 -0.789 1.00 0.00 C ATOM 962 OD1 ASP A 62 11.468 -8.697 -1.106 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 12.225 -6.702 -0.762 1.00 0.00 O ATOM 0 H ASP A 62 10.319 -4.980 -1.949 1.00 0.00 H new ATOM 0 HA ASP A 62 9.296 -7.514 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.924 -6.133 0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.338 -7.784 0.032 1.00 0.00 H new ATOM 968 N ALA A 63 7.166 -5.425 -1.272 1.00 0.00 N ATOM 969 CA ALA A 63 5.762 -5.197 -1.023 1.00 0.00 C ATOM 970 C ALA A 63 4.973 -5.458 -2.295 1.00 0.00 C ATOM 971 O ALA A 63 3.869 -5.960 -2.260 1.00 0.00 O ATOM 972 CB ALA A 63 5.547 -3.780 -0.552 1.00 0.00 C ATOM 0 H ALA A 63 7.743 -4.585 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 63 5.416 -5.877 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.486 -3.615 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.107 -3.614 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.893 -3.086 -1.318 1.00 0.00 H new ATOM 978 N ILE A 64 5.565 -5.110 -3.404 1.00 0.00 N ATOM 979 CA ILE A 64 4.988 -5.341 -4.702 1.00 0.00 C ATOM 980 C ILE A 64 5.129 -6.829 -5.065 1.00 0.00 C ATOM 981 O ILE A 64 4.137 -7.517 -5.296 1.00 0.00 O ATOM 982 CB ILE A 64 5.686 -4.437 -5.773 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.456 -2.953 -5.428 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.167 -4.750 -7.177 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.318 -1.974 -6.195 1.00 0.00 C ATOM 0 H ILE A 64 6.475 -4.651 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 64 3.929 -5.082 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 64 6.756 -4.644 -5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.409 -2.712 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.634 -2.812 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.668 -4.108 -7.902 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.370 -5.794 -7.416 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.092 -4.571 -7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.081 -0.957 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.369 -2.180 -5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.125 -2.078 -7.263 1.00 0.00 H new ATOM 997 N GLU A 65 6.363 -7.311 -5.021 1.00 0.00 N ATOM 998 CA GLU A 65 6.745 -8.665 -5.393 1.00 0.00 C ATOM 999 C GLU A 65 5.979 -9.731 -4.590 1.00 0.00 C ATOM 1000 O GLU A 65 5.481 -10.701 -5.152 1.00 0.00 O ATOM 1001 CB GLU A 65 8.272 -8.835 -5.194 1.00 0.00 C ATOM 1002 CG GLU A 65 9.147 -7.914 -6.066 1.00 0.00 C ATOM 1003 CD GLU A 65 10.641 -7.948 -5.695 1.00 0.00 C ATOM 1004 OE1 GLU A 65 11.345 -8.865 -6.111 1.00 0.00 O1- ATOM 1005 OE2 GLU A 65 11.118 -7.021 -4.981 1.00 0.00 O ATOM 0 H GLU A 65 7.156 -6.748 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 65 6.484 -8.813 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.510 -8.652 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.538 -9.871 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.034 -8.203 -7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.783 -6.891 -5.977 1.00 0.00 H new ATOM 1012 N GLY A 66 5.860 -9.526 -3.295 1.00 0.00 N ATOM 1013 CA GLY A 66 5.235 -10.514 -2.449 1.00 0.00 C ATOM 1014 C GLY A 66 3.748 -10.312 -2.224 1.00 0.00 C ATOM 1015 O GLY A 66 3.120 -11.125 -1.567 1.00 0.00 O ATOM 0 H GLY A 66 6.186 -8.690 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.391 -11.499 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.738 -10.514 -1.482 1.00 0.00 H new ATOM 1019 N MET A 67 3.179 -9.232 -2.724 1.00 0.00 N ATOM 1020 CA MET A 67 1.744 -8.989 -2.501 1.00 0.00 C ATOM 1021 C MET A 67 0.933 -8.886 -3.772 1.00 0.00 C ATOM 1022 O MET A 67 -0.263 -9.182 -3.758 1.00 0.00 O ATOM 1023 CB MET A 67 1.514 -7.736 -1.656 1.00 0.00 C ATOM 1024 CG MET A 67 1.775 -7.889 -0.171 1.00 0.00 C ATOM 1025 SD MET A 67 0.532 -8.899 0.653 1.00 0.00 S ATOM 1026 CE MET A 67 1.104 -8.836 2.349 1.00 0.00 C ATOM 0 H MET A 67 3.661 -8.520 -3.273 1.00 0.00 H new ATOM 0 HA MET A 67 1.393 -9.871 -1.965 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.153 -6.940 -2.038 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.483 -7.411 -1.794 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.758 -8.337 -0.023 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.802 -6.903 0.293 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.413 -9.388 2.987 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.096 -9.283 2.415 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.151 -7.798 2.679 1.00 0.00 H new ATOM 1036 N ASN A 68 1.545 -8.497 -4.868 1.00 0.00 N ATOM 1037 CA ASN A 68 0.775 -8.304 -6.094 1.00 0.00 C ATOM 1038 C ASN A 68 0.285 -9.620 -6.651 1.00 0.00 C ATOM 1039 O ASN A 68 1.078 -10.465 -7.059 1.00 0.00 O ATOM 1040 CB ASN A 68 1.576 -7.542 -7.160 1.00 0.00 C ATOM 1041 CG ASN A 68 0.795 -7.345 -8.457 1.00 0.00 C ATOM 1042 OD1 ASN A 68 0.058 -6.377 -8.606 1.00 0.00 O ATOM 1043 ND2 ASN A 68 0.960 -8.247 -9.397 1.00 0.00 N ATOM 0 H ASN A 68 2.545 -8.310 -4.945 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.091 -7.698 -5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.865 -6.569 -6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.496 -8.085 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.467 -8.154 -10.285 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.581 -9.040 -9.239 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.018 -9.779 -6.683 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.589 -10.968 -7.235 1.00 0.00 C ATOM 1052 C GLY A 69 -2.212 -11.878 -6.202 1.00 0.00 C ATOM 1053 O GLY A 69 -2.822 -12.871 -6.563 1.00 0.00 O ATOM 0 H GLY A 69 -1.693 -9.099 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.348 -10.690 -7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.815 -11.517 -7.771 1.00 0.00 H new ATOM 1057 N GLN A 70 -2.068 -11.565 -4.922 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.671 -12.425 -3.916 1.00 0.00 C ATOM 1059 C GLN A 70 -3.875 -11.774 -3.271 1.00 0.00 C ATOM 1060 O GLN A 70 -3.986 -10.536 -3.233 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.684 -12.893 -2.842 1.00 0.00 C ATOM 1062 CG GLN A 70 -1.118 -11.836 -1.935 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.358 -12.477 -0.789 1.00 0.00 C ATOM 1064 OE1 GLN A 70 -0.675 -13.577 -0.358 1.00 0.00 O ATOM 1065 NE2 GLN A 70 0.613 -11.809 -0.283 1.00 0.00 N ATOM 0 H GLN A 70 -1.560 -10.755 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.998 -13.313 -4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.183 -13.639 -2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.854 -13.394 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.454 -11.181 -2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.923 -11.214 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.855 -10.894 -0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.143 -12.193 0.499 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.774 -12.599 -2.783 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.985 -12.141 -2.132 1.00 0.00 C ATOM 1076 C ASP A 71 -5.722 -11.739 -0.700 1.00 0.00 C ATOM 1077 O ASP A 71 -5.702 -12.567 0.216 1.00 0.00 O ATOM 1078 CB ASP A 71 -7.123 -13.185 -2.216 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.567 -13.466 -3.647 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -6.956 -14.325 -4.294 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.525 -12.802 -4.137 1.00 0.00 O1- ATOM 0 H ASP A 71 -4.686 -13.614 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.319 -11.257 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.790 -14.115 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.977 -12.831 -1.639 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.508 -10.466 -0.508 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.272 -9.920 0.794 1.00 0.00 C ATOM 1088 C LEU A 72 -6.583 -9.414 1.319 1.00 0.00 C ATOM 1089 O LEU A 72 -7.313 -8.735 0.601 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.241 -8.782 0.751 1.00 0.00 C ATOM 1091 CG LEU A 72 -3.878 -8.141 2.107 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.205 -9.150 3.030 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -2.991 -6.919 1.912 1.00 0.00 C ATOM 0 H LEU A 72 -5.493 -9.776 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.864 -10.693 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.327 -9.165 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.621 -8.000 0.093 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.806 -7.818 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.961 -8.670 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.881 -9.986 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.291 -9.517 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.750 -6.486 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.071 -7.214 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.517 -6.181 1.306 1.00 0.00 H new ATOM 1105 N ASP A 73 -6.906 -9.822 2.534 1.00 0.00 N ATOM 1106 CA ASP A 73 -8.162 -9.449 3.233 1.00 0.00 C ATOM 1107 C ASP A 73 -9.375 -9.974 2.431 1.00 0.00 C ATOM 1108 O ASP A 73 -10.499 -9.550 2.590 1.00 0.00 O ATOM 1109 CB ASP A 73 -8.205 -7.902 3.400 1.00 0.00 C ATOM 1110 CG ASP A 73 -9.346 -7.373 4.247 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -9.317 -7.577 5.468 1.00 0.00 O ATOM 1112 OD2 ASP A 73 -10.229 -6.661 3.694 1.00 0.00 O1- ATOM 0 H ASP A 73 -6.305 -10.433 3.087 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.200 -9.902 4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.264 -7.575 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.268 -7.448 2.411 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.125 -11.016 1.654 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.173 -11.625 0.885 1.00 0.00 C ATOM 1119 C GLY A 74 -10.246 -11.157 -0.567 1.00 0.00 C ATOM 1120 O GLY A 74 -11.098 -11.634 -1.309 1.00 0.00 O ATOM 0 H GLY A 74 -8.207 -11.448 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.035 -12.706 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.128 -11.419 1.368 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.401 -10.210 -0.985 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.440 -9.790 -2.383 1.00 0.00 C ATOM 1126 C ARG A 75 -8.038 -9.592 -2.938 1.00 0.00 C ATOM 1127 O ARG A 75 -7.160 -9.055 -2.274 1.00 0.00 O ATOM 1128 CB ARG A 75 -10.312 -8.537 -2.553 1.00 0.00 C ATOM 1129 CG ARG A 75 -10.869 -8.285 -3.968 1.00 0.00 C ATOM 1130 CD ARG A 75 -9.880 -7.699 -4.968 1.00 0.00 C ATOM 1131 NE ARG A 75 -10.571 -7.301 -6.224 1.00 0.00 N ATOM 1132 CZ ARG A 75 -9.968 -6.925 -7.377 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -8.652 -6.959 -7.493 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -10.711 -6.523 -8.419 1.00 0.00 N ATOM 0 H ARG A 75 -8.710 -9.738 -0.402 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.901 -10.587 -2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.152 -8.607 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.725 -7.668 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.244 -9.228 -4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.722 -7.611 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.384 -6.833 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.104 -8.432 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.591 -7.312 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.079 -7.271 -6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.209 -6.673 -8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.728 -6.501 -8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.259 -6.239 -9.288 1.00 0.00 H new ATOM 1148 N ASN A 76 -7.856 -10.055 -4.139 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.577 -9.985 -4.865 1.00 0.00 C ATOM 1150 C ASN A 76 -6.149 -8.580 -5.148 1.00 0.00 C ATOM 1151 O ASN A 76 -6.776 -7.848 -5.899 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.570 -10.879 -6.123 1.00 0.00 C ATOM 1153 CG ASN A 76 -7.847 -10.797 -6.942 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -7.987 -9.974 -7.852 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -8.800 -11.645 -6.610 1.00 0.00 N ATOM 0 H ASN A 76 -8.598 -10.507 -4.673 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.820 -10.394 -4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.727 -10.596 -6.753 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.409 -11.914 -5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.689 -11.635 -7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.649 -12.311 -5.853 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.080 -8.214 -4.531 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.564 -6.883 -4.594 1.00 0.00 C ATOM 1164 C ILE A 77 -3.570 -6.699 -5.734 1.00 0.00 C ATOM 1165 O ILE A 77 -2.818 -7.619 -6.102 1.00 0.00 O ATOM 1166 CB ILE A 77 -3.903 -6.489 -3.259 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -2.883 -7.558 -2.846 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -4.965 -6.308 -2.180 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.054 -7.199 -1.653 1.00 0.00 C ATOM 0 H ILE A 77 -4.524 -8.844 -3.953 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.414 -6.228 -4.785 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.379 -5.541 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.414 -8.487 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.219 -7.753 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.486 -6.030 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.659 -5.523 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.511 -7.242 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.362 -8.012 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.491 -6.289 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.705 -7.034 -0.794 1.00 0.00 H new ATOM 1181 N THR A 78 -3.594 -5.529 -6.288 1.00 0.00 N ATOM 1182 CA THR A 78 -2.708 -5.119 -7.331 1.00 0.00 C ATOM 1183 C THR A 78 -1.769 -4.075 -6.736 1.00 0.00 C ATOM 1184 O THR A 78 -2.213 -3.005 -6.299 1.00 0.00 O ATOM 1185 CB THR A 78 -3.518 -4.502 -8.486 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.561 -5.420 -8.854 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.630 -4.237 -9.698 1.00 0.00 C ATOM 0 H THR A 78 -4.258 -4.804 -6.015 1.00 0.00 H new ATOM 0 HA THR A 78 -2.145 -5.966 -7.724 1.00 0.00 H new ATOM 0 HB THR A 78 -3.938 -3.552 -8.156 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.087 -5.040 -9.588 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.228 -3.801 -10.499 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.834 -3.545 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.193 -5.175 -10.041 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.506 -4.386 -6.696 1.00 0.00 N ATOM 1196 CA VAL A 79 0.463 -3.548 -6.037 1.00 0.00 C ATOM 1197 C VAL A 79 1.508 -3.098 -7.051 1.00 0.00 C ATOM 1198 O VAL A 79 1.976 -3.898 -7.856 1.00 0.00 O ATOM 1199 CB VAL A 79 1.160 -4.315 -4.869 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.028 -3.392 -4.048 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.147 -5.009 -3.976 1.00 0.00 C ATOM 0 H VAL A 79 -0.115 -5.228 -7.119 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.049 -2.681 -5.619 1.00 0.00 H new ATOM 0 HB VAL A 79 1.795 -5.076 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.499 -3.956 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.798 -2.955 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.414 -2.597 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.667 -5.533 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.528 -4.268 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.427 -5.725 -4.565 1.00 0.00 H new ATOM 1211 N ASN A 80 1.836 -1.828 -7.032 1.00 0.00 N ATOM 1212 CA ASN A 80 2.825 -1.251 -7.942 1.00 0.00 C ATOM 1213 C ASN A 80 3.451 -0.021 -7.311 1.00 0.00 C ATOM 1214 O ASN A 80 3.024 0.407 -6.234 1.00 0.00 O ATOM 1215 CB ASN A 80 2.225 -0.916 -9.329 1.00 0.00 C ATOM 1216 CG ASN A 80 1.061 0.061 -9.284 1.00 0.00 C ATOM 1217 OD1 ASN A 80 1.242 1.260 -9.329 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.142 -0.455 -9.226 1.00 0.00 N ATOM 0 H ASN A 80 1.428 -1.153 -6.385 1.00 0.00 H new ATOM 0 HA ASN A 80 3.598 -2.001 -8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.010 -0.500 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.891 -1.840 -9.801 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.959 0.156 -9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.261 -1.467 -9.189 1.00 0.00 H new ATOM 1225 N GLU A 81 4.470 0.528 -7.938 1.00 0.00 N ATOM 1226 CA GLU A 81 5.151 1.670 -7.386 1.00 0.00 C ATOM 1227 C GLU A 81 4.407 2.935 -7.769 1.00 0.00 C ATOM 1228 O GLU A 81 4.005 3.123 -8.917 1.00 0.00 O ATOM 1229 CB GLU A 81 6.619 1.716 -7.852 1.00 0.00 C ATOM 1230 CG GLU A 81 6.806 2.076 -9.308 1.00 0.00 C ATOM 1231 CD GLU A 81 8.137 1.621 -9.855 1.00 0.00 C ATOM 1232 OE1 GLU A 81 9.143 2.363 -9.759 1.00 0.00 O ATOM 1233 OE2 GLU A 81 8.210 0.485 -10.338 1.00 0.00 O1- ATOM 0 H GLU A 81 4.841 0.199 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 81 5.164 1.588 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.158 2.439 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.075 0.743 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.004 1.627 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.720 3.156 -9.425 1.00 0.00 H new ATOM 1240 N ALA A 82 4.219 3.776 -6.812 1.00 0.00 N ATOM 1241 CA ALA A 82 3.523 5.024 -7.019 1.00 0.00 C ATOM 1242 C ALA A 82 4.531 6.111 -7.338 1.00 0.00 C ATOM 1243 O ALA A 82 4.191 7.170 -7.837 1.00 0.00 O ATOM 1244 CB ALA A 82 2.685 5.365 -5.814 1.00 0.00 C ATOM 0 H ALA A 82 4.540 3.628 -5.855 1.00 0.00 H new ATOM 0 HA ALA A 82 2.841 4.933 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.167 6.308 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.953 4.575 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.328 5.459 -4.939 1.00 0.00 H new